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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/R1242-f386ff96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-f386ff96/inputs/seq.fa: 1 curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA 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 205 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: 1030 n_atoms_counter: 1030 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.390549 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.000 local terms energy: -797.897909 where: bonds (distance) C4'-P energy: -199.173 bonds (distance) P-C4' energy: -184.298 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -172.174 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -986.355636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.355636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.355636 (E_RNA) where: Base-Base interactions energy: -405.073 where: short stacking energy: -403.590 Base-Backbone interact. energy: 0.986 local terms energy: -582.269349 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -139.146 flat angles C4'-P-C4' energy: -129.099 flat angles P-C4'-P energy: -86.333 tors. eta vs tors. theta energy: -100.052 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -942.034891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.034891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.034891 (E_RNA) where: Base-Base interactions energy: -371.065 where: short stacking energy: -370.078 Base-Backbone interact. energy: -0.452 local terms energy: -570.517249 where: bonds (distance) C4'-P energy: -128.829 bonds (distance) P-C4' energy: -142.452 flat angles C4'-P-C4' energy: -123.103 flat angles P-C4'-P energy: -83.009 tors. eta vs tors. theta energy: -93.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -881.481724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.481724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.481724 (E_RNA) where: Base-Base interactions energy: -364.296 where: short stacking energy: -354.218 Base-Backbone interact. energy: 0.469 local terms energy: -517.654758 where: bonds (distance) C4'-P energy: -125.539 bonds (distance) P-C4' energy: -130.364 flat angles C4'-P-C4' energy: -119.995 flat angles P-C4'-P energy: -59.368 tors. eta vs tors. theta energy: -82.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -851.461609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.461609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.461609 (E_RNA) where: Base-Base interactions energy: -340.667 where: short stacking energy: -335.377 Base-Backbone interact. energy: -0.270 local terms energy: -510.524550 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -123.533 flat angles C4'-P-C4' energy: -116.813 flat angles P-C4'-P energy: -70.470 tors. eta vs tors. theta energy: -74.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -830.647388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.647388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.647388 (E_RNA) where: Base-Base interactions energy: -126.125 where: short stacking energy: -126.125 Base-Backbone interact. energy: -0.000 local terms energy: -704.521649 where: bonds (distance) C4'-P energy: -151.122 bonds (distance) P-C4' energy: -136.207 flat angles C4'-P-C4' energy: -154.756 flat angles P-C4'-P energy: -159.830 tors. eta vs tors. theta energy: -102.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -832.007481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.007481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.007481 (E_RNA) where: Base-Base interactions energy: -94.923 where: short stacking energy: -94.923 Base-Backbone interact. energy: -0.000 local terms energy: -737.084482 where: bonds (distance) C4'-P energy: -174.989 bonds (distance) P-C4' energy: -145.602 flat angles C4'-P-C4' energy: -153.468 flat angles P-C4'-P energy: -161.992 tors. eta vs tors. theta energy: -101.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -843.153755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.153755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.153755 (E_RNA) where: Base-Base interactions energy: -92.097 where: short stacking energy: -92.097 Base-Backbone interact. energy: -0.000 local terms energy: -751.056949 where: bonds (distance) C4'-P energy: -171.020 bonds (distance) P-C4' energy: -165.388 flat angles C4'-P-C4' energy: -150.986 flat angles P-C4'-P energy: -164.730 tors. eta vs tors. theta energy: -98.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -832.289597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.289597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.289597 (E_RNA) where: Base-Base interactions energy: -72.932 where: short stacking energy: -72.932 Base-Backbone interact. energy: -0.000 local terms energy: -759.357006 where: bonds (distance) C4'-P energy: -176.420 bonds (distance) P-C4' energy: -166.688 flat angles C4'-P-C4' energy: -152.052 flat angles P-C4'-P energy: -166.801 tors. eta vs tors. theta energy: -97.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -836.153111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.153111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.153111 (E_RNA) where: Base-Base interactions energy: -93.795 where: short stacking energy: -93.795 Base-Backbone interact. energy: -0.000 local terms energy: -742.358225 where: bonds (distance) C4'-P energy: -171.920 bonds (distance) P-C4' energy: -154.223 flat angles C4'-P-C4' energy: -154.903 flat angles P-C4'-P energy: -164.611 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -829.789765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.789765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.789765 (E_RNA) where: Base-Base interactions energy: -107.423 where: short stacking energy: -107.423 Base-Backbone interact. energy: -0.000 local terms energy: -722.366323 where: bonds (distance) C4'-P energy: -170.792 bonds (distance) P-C4' energy: -144.305 flat angles C4'-P-C4' energy: -149.147 flat angles P-C4'-P energy: -160.330 tors. eta vs tors. theta energy: -97.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1010.714197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.714197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.714197 (E_RNA) where: Base-Base interactions energy: -445.535 where: short stacking energy: -429.777 Base-Backbone interact. energy: -0.834 local terms energy: -564.344997 where: bonds (distance) C4'-P energy: -125.172 bonds (distance) P-C4' energy: -127.081 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -84.048 tors. eta vs tors. theta energy: -108.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -992.280508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.280508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.280508 (E_RNA) where: Base-Base interactions energy: -448.274 where: short stacking energy: -426.300 Base-Backbone interact. energy: -1.137 local terms energy: -542.869278 where: bonds (distance) C4'-P energy: -134.239 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -120.233 flat angles P-C4'-P energy: -71.290 tors. eta vs tors. theta energy: -96.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -903.770306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.770306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.770306 (E_RNA) where: Base-Base interactions energy: -376.409 where: short stacking energy: -373.147 Base-Backbone interact. energy: 1.714 local terms energy: -529.075322 where: bonds (distance) C4'-P energy: -116.164 bonds (distance) P-C4' energy: -135.528 flat angles C4'-P-C4' energy: -128.819 flat angles P-C4'-P energy: -76.682 tors. eta vs tors. theta energy: -71.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -826.662590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.662590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.662590 (E_RNA) where: Base-Base interactions energy: -353.226 where: short stacking energy: -335.402 Base-Backbone interact. energy: -0.952 local terms energy: -472.483973 where: bonds (distance) C4'-P energy: -116.596 bonds (distance) P-C4' energy: -111.483 flat angles C4'-P-C4' energy: -110.375 flat angles P-C4'-P energy: -70.594 tors. eta vs tors. theta energy: -63.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -747.492553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.492553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.492553 (E_RNA) where: Base-Base interactions energy: -317.558 where: short stacking energy: -293.095 Base-Backbone interact. energy: -0.594 local terms energy: -429.340676 where: bonds (distance) C4'-P energy: -113.941 bonds (distance) P-C4' energy: -115.279 flat angles C4'-P-C4' energy: -100.902 flat angles P-C4'-P energy: -69.540 tors. eta vs tors. theta energy: -29.678 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -705.291351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.291351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.291351 (E_RNA) where: Base-Base interactions energy: -259.081 where: short stacking energy: -250.511 Base-Backbone interact. energy: -0.628 local terms energy: -445.582858 where: bonds (distance) C4'-P energy: -130.479 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -108.650 flat angles P-C4'-P energy: -60.171 tors. eta vs tors. theta energy: -36.580 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -636.902893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.902893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.902893 (E_RNA) where: Base-Base interactions energy: -261.778 where: short stacking energy: -233.422 Base-Backbone interact. energy: -1.574 local terms energy: -373.551430 where: bonds (distance) C4'-P energy: -100.839 bonds (distance) P-C4' energy: -101.507 flat angles C4'-P-C4' energy: -116.540 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -588.967496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.967496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.967496 (E_RNA) where: Base-Base interactions energy: -235.322 where: short stacking energy: -181.180 Base-Backbone interact. energy: -1.938 local terms energy: -351.708146 where: bonds (distance) C4'-P energy: -101.594 bonds (distance) P-C4' energy: -113.528 flat angles C4'-P-C4' energy: -93.023 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: 11.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -538.941823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.941823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.941823 (E_RNA) where: Base-Base interactions energy: -216.440 where: short stacking energy: -164.979 Base-Backbone interact. energy: -1.221 local terms energy: -321.280696 where: bonds (distance) C4'-P energy: -90.247 bonds (distance) P-C4' energy: -110.280 flat angles C4'-P-C4' energy: -86.384 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: 18.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -507.733480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.733480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.733480 (E_RNA) where: Base-Base interactions energy: -225.866 where: short stacking energy: -170.662 Base-Backbone interact. energy: 1.300 local terms energy: -283.166581 where: bonds (distance) C4'-P energy: -90.611 bonds (distance) P-C4' energy: -99.389 flat angles C4'-P-C4' energy: -79.276 flat angles P-C4'-P energy: -37.706 tors. eta vs tors. theta energy: 23.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1094.535587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.535587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.535587 (E_RNA) where: Base-Base interactions energy: -503.012 where: short stacking energy: -423.138 Base-Backbone interact. energy: -1.067 local terms energy: -590.456965 where: bonds (distance) C4'-P energy: -130.136 bonds (distance) P-C4' energy: -135.110 flat angles C4'-P-C4' energy: -138.833 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -110.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1042.701626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.701626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.701626 (E_RNA) where: Base-Base interactions energy: -474.151 where: short stacking energy: -405.715 Base-Backbone interact. energy: -1.005 local terms energy: -567.546397 where: bonds (distance) C4'-P energy: -132.229 bonds (distance) P-C4' energy: -134.015 flat angles C4'-P-C4' energy: -127.904 flat angles P-C4'-P energy: -73.078 tors. eta vs tors. theta energy: -100.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -961.149308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.149308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.149308 (E_RNA) where: Base-Base interactions energy: -457.300 where: short stacking energy: -375.989 Base-Backbone interact. energy: -1.456 local terms energy: -502.393395 where: bonds (distance) C4'-P energy: -102.546 bonds (distance) P-C4' energy: -117.229 flat angles C4'-P-C4' energy: -131.679 flat angles P-C4'-P energy: -79.092 tors. eta vs tors. theta energy: -71.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -878.560269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.560269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.560269 (E_RNA) where: Base-Base interactions energy: -388.305 where: short stacking energy: -328.610 Base-Backbone interact. energy: -1.452 local terms energy: -488.803752 where: bonds (distance) C4'-P energy: -122.915 bonds (distance) P-C4' energy: -122.365 flat angles C4'-P-C4' energy: -118.877 flat angles P-C4'-P energy: -65.375 tors. eta vs tors. theta energy: -59.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -808.516452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.516452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.516452 (E_RNA) where: Base-Base interactions energy: -328.419 where: short stacking energy: -323.207 Base-Backbone interact. energy: -0.765 local terms energy: -479.332003 where: bonds (distance) C4'-P energy: -112.127 bonds (distance) P-C4' energy: -120.365 flat angles C4'-P-C4' energy: -116.936 flat angles P-C4'-P energy: -69.523 tors. eta vs tors. theta energy: -60.380 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: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -691.660151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.660151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.660151 (E_RNA) where: Base-Base interactions energy: -270.501 where: short stacking energy: -253.620 Base-Backbone interact. energy: 0.711 local terms energy: -421.869611 where: bonds (distance) C4'-P energy: -102.928 bonds (distance) P-C4' energy: -129.750 flat angles C4'-P-C4' energy: -96.054 flat angles P-C4'-P energy: -61.270 tors. eta vs tors. theta energy: -31.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -634.904397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.904397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.904397 (E_RNA) where: Base-Base interactions energy: -260.976 where: short stacking energy: -215.812 Base-Backbone interact. energy: -1.709 local terms energy: -372.219129 where: bonds (distance) C4'-P energy: -105.756 bonds (distance) P-C4' energy: -115.173 flat angles C4'-P-C4' energy: -90.144 flat angles P-C4'-P energy: -49.801 tors. eta vs tors. theta energy: -11.345 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -596.563530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.563530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.563530 (E_RNA) where: Base-Base interactions energy: -229.183 where: short stacking energy: -208.523 Base-Backbone interact. energy: 2.235 local terms energy: -369.615286 where: bonds (distance) C4'-P energy: -107.379 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -90.475 flat angles P-C4'-P energy: -64.576 tors. eta vs tors. theta energy: -8.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -537.194577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.194577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.194577 (E_RNA) where: Base-Base interactions energy: -195.398 where: short stacking energy: -155.795 Base-Backbone interact. energy: 6.754 local terms energy: -348.550069 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -83.738 flat angles P-C4'-P energy: -59.153 tors. eta vs tors. theta energy: 13.061 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: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -544.515457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.515457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.515457 (E_RNA) where: Base-Base interactions energy: -168.548 where: short stacking energy: -145.767 Base-Backbone interact. energy: -1.733 local terms energy: -374.234069 where: bonds (distance) C4'-P energy: -108.054 bonds (distance) P-C4' energy: -116.761 flat angles C4'-P-C4' energy: -96.437 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: 6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1124.915265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.915265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.915265 (E_RNA) where: Base-Base interactions energy: -535.823 where: short stacking energy: -465.418 Base-Backbone interact. energy: -0.375 local terms energy: -588.717101 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -138.781 flat angles C4'-P-C4' energy: -124.700 flat angles P-C4'-P energy: -91.342 tors. eta vs tors. theta energy: -115.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1019.105772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.105772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.105772 (E_RNA) where: Base-Base interactions energy: -501.874 where: short stacking energy: -389.195 Base-Backbone interact. energy: 2.107 local terms energy: -519.339024 where: bonds (distance) C4'-P energy: -120.711 bonds (distance) P-C4' energy: -128.799 flat angles C4'-P-C4' energy: -115.878 flat angles P-C4'-P energy: -79.907 tors. eta vs tors. theta energy: -74.043 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -933.986737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.986737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.986737 (E_RNA) where: Base-Base interactions energy: -413.018 where: short stacking energy: -373.969 Base-Backbone interact. energy: -0.954 local terms energy: -520.014567 where: bonds (distance) C4'-P energy: -114.303 bonds (distance) P-C4' energy: -123.619 flat angles C4'-P-C4' energy: -122.469 flat angles P-C4'-P energy: -71.631 tors. eta vs tors. theta energy: -87.994 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -905.848398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.848398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.848398 (E_RNA) where: Base-Base interactions energy: -433.783 where: short stacking energy: -317.775 Base-Backbone interact. energy: -2.201 local terms energy: -469.864374 where: bonds (distance) C4'-P energy: -114.723 bonds (distance) P-C4' energy: -124.306 flat angles C4'-P-C4' energy: -106.753 flat angles P-C4'-P energy: -54.499 tors. eta vs tors. theta energy: -69.583 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -820.647168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.647168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.647168 (E_RNA) where: Base-Base interactions energy: -379.599 where: short stacking energy: -279.202 Base-Backbone interact. energy: -0.179 local terms energy: -440.869121 where: bonds (distance) C4'-P energy: -99.294 bonds (distance) P-C4' energy: -120.334 flat angles C4'-P-C4' energy: -123.879 flat angles P-C4'-P energy: -63.570 tors. eta vs tors. theta energy: -33.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -745.471173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.471173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.471173 (E_RNA) where: Base-Base interactions energy: -319.512 where: short stacking energy: -257.293 Base-Backbone interact. energy: -2.962 local terms energy: -422.996523 where: bonds (distance) C4'-P energy: -100.832 bonds (distance) P-C4' energy: -125.354 flat angles C4'-P-C4' energy: -102.400 flat angles P-C4'-P energy: -65.239 tors. eta vs tors. theta energy: -29.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -701.666533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.666533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.666533 (E_RNA) where: Base-Base interactions energy: -306.846 where: short stacking energy: -212.356 Base-Backbone interact. energy: 1.351 local terms energy: -396.172234 where: bonds (distance) C4'-P energy: -101.501 bonds (distance) P-C4' energy: -130.301 flat angles C4'-P-C4' energy: -101.649 flat angles P-C4'-P energy: -56.229 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -561.865842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.865842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.865842 (E_RNA) where: Base-Base interactions energy: -208.963 where: short stacking energy: -195.710 Base-Backbone interact. energy: 0.777 local terms energy: -353.679907 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -96.718 flat angles C4'-P-C4' energy: -85.059 flat angles P-C4'-P energy: -65.331 tors. eta vs tors. theta energy: 0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -540.035784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.035784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.035784 (E_RNA) where: Base-Base interactions energy: -215.764 where: short stacking energy: -154.506 Base-Backbone interact. energy: 2.493 local terms energy: -326.764661 where: bonds (distance) C4'-P energy: -109.998 bonds (distance) P-C4' energy: -101.888 flat angles C4'-P-C4' energy: -101.376 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: 24.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -554.324320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.324320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.324320 (E_RNA) where: Base-Base interactions energy: -210.549 where: short stacking energy: -148.441 Base-Backbone interact. energy: 8.582 local terms energy: -352.357569 where: bonds (distance) C4'-P energy: -103.948 bonds (distance) P-C4' energy: -115.136 flat angles C4'-P-C4' energy: -98.518 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: 19.671 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: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1140.372784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.372784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.372784 (E_RNA) where: Base-Base interactions energy: -560.775 where: short stacking energy: -431.903 Base-Backbone interact. energy: -1.115 local terms energy: -578.482945 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -138.924 flat angles C4'-P-C4' energy: -137.546 flat angles P-C4'-P energy: -88.651 tors. eta vs tors. theta energy: -94.702 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: 6 Temperature: 0.950000 Total energy: -1101.283293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.283293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.283293 (E_RNA) where: Base-Base interactions energy: -531.992 where: short stacking energy: -436.166 Base-Backbone interact. energy: 0.287 local terms energy: -569.578141 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -134.281 flat angles C4'-P-C4' energy: -122.301 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: -111.543 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: 6 Temperature: 1.000000 Total energy: -958.650640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.650640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.650640 (E_RNA) where: Base-Base interactions energy: -436.707 where: short stacking energy: -355.948 Base-Backbone interact. energy: 1.131 local terms energy: -523.075020 where: bonds (distance) C4'-P energy: -118.437 bonds (distance) P-C4' energy: -125.306 flat angles C4'-P-C4' energy: -121.496 flat angles P-C4'-P energy: -76.551 tors. eta vs tors. theta energy: -81.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1018.599404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.599404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.599404 (E_RNA) where: Base-Base interactions energy: -556.771 where: short stacking energy: -335.384 Base-Backbone interact. energy: -2.662 local terms energy: -459.166429 where: bonds (distance) C4'-P energy: -111.277 bonds (distance) P-C4' energy: -115.189 flat angles C4'-P-C4' energy: -117.167 flat angles P-C4'-P energy: -55.487 tors. eta vs tors. theta energy: -60.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -819.732400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.732400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.732400 (E_RNA) where: Base-Base interactions energy: -383.604 where: short stacking energy: -290.504 Base-Backbone interact. energy: 1.785 local terms energy: -437.912591 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -118.551 flat angles C4'-P-C4' energy: -105.829 flat angles P-C4'-P energy: -61.348 tors. eta vs tors. theta energy: -45.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -810.841425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.841425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.841425 (E_RNA) where: Base-Base interactions energy: -359.537 where: short stacking energy: -233.398 Base-Backbone interact. energy: 0.049 local terms energy: -451.353219 where: bonds (distance) C4'-P energy: -116.333 bonds (distance) P-C4' energy: -132.231 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -70.966 tors. eta vs tors. theta energy: -30.445 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: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -690.183341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.183341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.183341 (E_RNA) where: Base-Base interactions energy: -268.928 where: short stacking energy: -203.132 Base-Backbone interact. energy: -2.933 local terms energy: -418.322606 where: bonds (distance) C4'-P energy: -103.537 bonds (distance) P-C4' energy: -109.619 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -75.908 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -572.261005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.261005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.261005 (E_RNA) where: Base-Base interactions energy: -223.727 where: short stacking energy: -164.808 Base-Backbone interact. energy: 0.468 local terms energy: -349.001662 where: bonds (distance) C4'-P energy: -102.351 bonds (distance) P-C4' energy: -114.333 flat angles C4'-P-C4' energy: -101.382 flat angles P-C4'-P energy: -57.040 tors. eta vs tors. theta energy: 26.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -611.299984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.299984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.299984 (E_RNA) where: Base-Base interactions energy: -265.361 where: short stacking energy: -179.608 Base-Backbone interact. energy: -2.143 local terms energy: -343.795074 where: bonds (distance) C4'-P energy: -107.772 bonds (distance) P-C4' energy: -103.376 flat angles C4'-P-C4' energy: -93.329 flat angles P-C4'-P energy: -49.585 tors. eta vs tors. theta energy: 10.267 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: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -506.811599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.811599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.811599 (E_RNA) where: Base-Base interactions energy: -205.453 where: short stacking energy: -163.030 Base-Backbone interact. energy: -0.937 local terms energy: -300.422256 where: bonds (distance) C4'-P energy: -93.218 bonds (distance) P-C4' energy: -99.865 flat angles C4'-P-C4' energy: -59.315 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: -0.453 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1186.222024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.222024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.222024 (E_RNA) where: Base-Base interactions energy: -611.706 where: short stacking energy: -477.903 Base-Backbone interact. energy: -3.553 local terms energy: -570.963688 where: bonds (distance) C4'-P energy: -116.403 bonds (distance) P-C4' energy: -132.816 flat angles C4'-P-C4' energy: -133.086 flat angles P-C4'-P energy: -83.100 tors. eta vs tors. theta energy: -105.560 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: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1082.835376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.835376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.835376 (E_RNA) where: Base-Base interactions energy: -519.287 where: short stacking energy: -430.583 Base-Backbone interact. energy: -1.113 local terms energy: -562.434581 where: bonds (distance) C4'-P energy: -126.744 bonds (distance) P-C4' energy: -125.757 flat angles C4'-P-C4' energy: -137.265 flat angles P-C4'-P energy: -69.608 tors. eta vs tors. theta energy: -103.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -990.991337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.991337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.991337 (E_RNA) where: Base-Base interactions energy: -477.215 where: short stacking energy: -392.025 Base-Backbone interact. energy: 3.092 local terms energy: -516.868350 where: bonds (distance) C4'-P energy: -106.036 bonds (distance) P-C4' energy: -117.404 flat angles C4'-P-C4' energy: -124.144 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -89.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1015.487640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.487640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.487640 (E_RNA) where: Base-Base interactions energy: -539.887 where: short stacking energy: -331.752 Base-Backbone interact. energy: -1.713 local terms energy: -473.887114 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -103.967 flat angles C4'-P-C4' energy: -119.582 flat angles P-C4'-P energy: -66.915 tors. eta vs tors. theta energy: -63.509 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: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -871.576771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.576771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.576771 (E_RNA) where: Base-Base interactions energy: -438.215 where: short stacking energy: -313.115 Base-Backbone interact. energy: -2.042 local terms energy: -431.320010 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -106.786 flat angles C4'-P-C4' energy: -110.148 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -54.198 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -813.849309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.849309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.849309 (E_RNA) where: Base-Base interactions energy: -377.755 where: short stacking energy: -289.143 Base-Backbone interact. energy: -2.755 local terms energy: -433.339215 where: bonds (distance) C4'-P energy: -108.867 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -110.915 flat angles P-C4'-P energy: -55.624 tors. eta vs tors. theta energy: -37.968 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: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -720.611317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.611317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.611317 (E_RNA) where: Base-Base interactions energy: -329.379 where: short stacking energy: -226.051 Base-Backbone interact. energy: 3.638 local terms energy: -394.869851 where: bonds (distance) C4'-P energy: -113.178 bonds (distance) P-C4' energy: -114.728 flat angles C4'-P-C4' energy: -92.387 flat angles P-C4'-P energy: -57.549 tors. eta vs tors. theta energy: -17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -633.771143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.771143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.771143 (E_RNA) where: Base-Base interactions energy: -264.920 where: short stacking energy: -194.687 Base-Backbone interact. energy: -2.289 local terms energy: -366.561363 where: bonds (distance) C4'-P energy: -102.783 bonds (distance) P-C4' energy: -112.382 flat angles C4'-P-C4' energy: -81.208 flat angles P-C4'-P energy: -63.997 tors. eta vs tors. theta energy: -6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -627.561166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.561166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.561166 (E_RNA) where: Base-Base interactions energy: -290.769 where: short stacking energy: -193.902 Base-Backbone interact. energy: 8.020 local terms energy: -344.812197 where: bonds (distance) C4'-P energy: -105.289 bonds (distance) P-C4' energy: -106.625 flat angles C4'-P-C4' energy: -112.025 flat angles P-C4'-P energy: -36.758 tors. eta vs tors. theta energy: 15.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -517.230487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.230487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.230487 (E_RNA) where: Base-Base interactions energy: -199.263 where: short stacking energy: -164.542 Base-Backbone interact. energy: 0.725 local terms energy: -318.692770 where: bonds (distance) C4'-P energy: -78.704 bonds (distance) P-C4' energy: -112.967 flat angles C4'-P-C4' energy: -86.742 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: 5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1243.314479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.314479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.314479 (E_RNA) where: Base-Base interactions energy: -628.924 where: short stacking energy: -442.509 Base-Backbone interact. energy: -1.697 local terms energy: -612.693492 where: bonds (distance) C4'-P energy: -135.575 bonds (distance) P-C4' energy: -139.031 flat angles C4'-P-C4' energy: -135.982 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -122.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1092.398107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.398107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.398107 (E_RNA) where: Base-Base interactions energy: -536.297 where: short stacking energy: -421.680 Base-Backbone interact. energy: -0.087 local terms energy: -556.013722 where: bonds (distance) C4'-P energy: -116.078 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -127.248 flat angles P-C4'-P energy: -86.226 tors. eta vs tors. theta energy: -96.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1197.524279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.524279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.524279 (E_RNA) where: Base-Base interactions energy: -666.612 where: short stacking energy: -383.732 Base-Backbone interact. energy: -0.900 local terms energy: -530.012577 where: bonds (distance) C4'-P energy: -115.690 bonds (distance) P-C4' energy: -139.167 flat angles C4'-P-C4' energy: -129.290 flat angles P-C4'-P energy: -72.039 tors. eta vs tors. theta energy: -73.826 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: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1012.277176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.277176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.277176 (E_RNA) where: Base-Base interactions energy: -532.202 where: short stacking energy: -345.148 Base-Backbone interact. energy: -3.200 local terms energy: -476.875515 where: bonds (distance) C4'-P energy: -103.652 bonds (distance) P-C4' energy: -123.627 flat angles C4'-P-C4' energy: -116.399 flat angles P-C4'-P energy: -72.242 tors. eta vs tors. theta energy: -60.956 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -983.876734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.876734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.876734 (E_RNA) where: Base-Base interactions energy: -535.194 where: short stacking energy: -351.531 Base-Backbone interact. energy: -0.125 local terms energy: -448.557379 where: bonds (distance) C4'-P energy: -101.246 bonds (distance) P-C4' energy: -124.040 flat angles C4'-P-C4' energy: -112.805 flat angles P-C4'-P energy: -69.741 tors. eta vs tors. theta energy: -40.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -832.568651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.568651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.568651 (E_RNA) where: Base-Base interactions energy: -404.448 where: short stacking energy: -268.777 Base-Backbone interact. energy: 2.454 local terms energy: -430.574628 where: bonds (distance) C4'-P energy: -114.932 bonds (distance) P-C4' energy: -119.802 flat angles C4'-P-C4' energy: -103.872 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -29.280 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: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -784.876808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.876808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.876808 (E_RNA) where: Base-Base interactions energy: -411.884 where: short stacking energy: -260.469 Base-Backbone interact. energy: -3.943 local terms energy: -369.049518 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -101.533 flat angles C4'-P-C4' energy: -106.576 flat angles P-C4'-P energy: -59.322 tors. eta vs tors. theta energy: -13.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -620.361851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.361851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.361851 (E_RNA) where: Base-Base interactions energy: -265.434 where: short stacking energy: -211.056 Base-Backbone interact. energy: -4.557 local terms energy: -350.371085 where: bonds (distance) C4'-P energy: -108.091 bonds (distance) P-C4' energy: -108.505 flat angles C4'-P-C4' energy: -85.759 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: 4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -593.550420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.550420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.550420 (E_RNA) where: Base-Base interactions energy: -264.194 where: short stacking energy: -179.592 Base-Backbone interact. energy: 5.775 local terms energy: -335.131962 where: bonds (distance) C4'-P energy: -93.228 bonds (distance) P-C4' energy: -106.333 flat angles C4'-P-C4' energy: -103.045 flat angles P-C4'-P energy: -34.168 tors. eta vs tors. theta energy: 1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -519.025156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.025156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.025156 (E_RNA) where: Base-Base interactions energy: -206.194 where: short stacking energy: -161.580 Base-Backbone interact. energy: -0.452 local terms energy: -312.379770 where: bonds (distance) C4'-P energy: -89.913 bonds (distance) P-C4' energy: -106.193 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -61.084 tors. eta vs tors. theta energy: 11.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1266.099465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.099465 (E_RNA) where: Base-Base interactions energy: -648.385 where: short stacking energy: -481.721 Base-Backbone interact. energy: -2.125 local terms energy: -615.589537 where: bonds (distance) C4'-P energy: -130.900 bonds (distance) P-C4' energy: -133.729 flat angles C4'-P-C4' energy: -142.578 flat angles P-C4'-P energy: -86.592 tors. eta vs tors. theta energy: -121.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1368.035253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.035253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.035253 (E_RNA) where: Base-Base interactions energy: -855.060 where: short stacking energy: -458.173 Base-Backbone interact. energy: 2.636 local terms energy: -515.610374 where: bonds (distance) C4'-P energy: -127.066 bonds (distance) P-C4' energy: -105.494 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -71.250 tors. eta vs tors. theta energy: -91.481 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1000.060663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.060663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.060663 (E_RNA) where: Base-Base interactions energy: -487.181 where: short stacking energy: -402.040 Base-Backbone interact. energy: 4.237 local terms energy: -517.116717 where: bonds (distance) C4'-P energy: -115.706 bonds (distance) P-C4' energy: -123.131 flat angles C4'-P-C4' energy: -110.896 flat angles P-C4'-P energy: -87.609 tors. eta vs tors. theta energy: -79.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1024.375915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.375915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.375915 (E_RNA) where: Base-Base interactions energy: -520.101 where: short stacking energy: -314.918 Base-Backbone interact. energy: -2.785 local terms energy: -501.489637 where: bonds (distance) C4'-P energy: -132.954 bonds (distance) P-C4' energy: -122.285 flat angles C4'-P-C4' energy: -116.006 flat angles P-C4'-P energy: -73.882 tors. eta vs tors. theta energy: -56.362 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -969.615929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.615929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.615929 (E_RNA) where: Base-Base interactions energy: -509.771 where: short stacking energy: -304.349 Base-Backbone interact. energy: 0.918 local terms energy: -460.762465 where: bonds (distance) C4'-P energy: -112.944 bonds (distance) P-C4' energy: -109.322 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -84.015 tors. eta vs tors. theta energy: -36.339 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: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -812.430446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.430446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.430446 (E_RNA) where: Base-Base interactions energy: -389.326 where: short stacking energy: -232.061 Base-Backbone interact. energy: 0.384 local terms energy: -423.488059 where: bonds (distance) C4'-P energy: -111.715 bonds (distance) P-C4' energy: -102.283 flat angles C4'-P-C4' energy: -103.340 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: -31.437 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -789.384324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.384324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.384324 (E_RNA) where: Base-Base interactions energy: -388.865 where: short stacking energy: -268.293 Base-Backbone interact. energy: -0.730 local terms energy: -399.789722 where: bonds (distance) C4'-P energy: -123.721 bonds (distance) P-C4' energy: -100.413 flat angles C4'-P-C4' energy: -105.503 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -28.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -597.862626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.862626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.862626 (E_RNA) where: Base-Base interactions energy: -241.722 where: short stacking energy: -178.351 Base-Backbone interact. energy: -0.542 local terms energy: -355.598108 where: bonds (distance) C4'-P energy: -104.903 bonds (distance) P-C4' energy: -101.001 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -60.575 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -619.939220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.939220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.939220 (E_RNA) where: Base-Base interactions energy: -285.099 where: short stacking energy: -199.290 Base-Backbone interact. energy: -1.617 local terms energy: -333.223024 where: bonds (distance) C4'-P energy: -84.805 bonds (distance) P-C4' energy: -117.227 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: 25.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -544.979937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.979937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.979937 (E_RNA) where: Base-Base interactions energy: -215.732 where: short stacking energy: -149.214 Base-Backbone interact. energy: 4.313 local terms energy: -333.560635 where: bonds (distance) C4'-P energy: -95.475 bonds (distance) P-C4' energy: -115.228 flat angles C4'-P-C4' energy: -84.713 flat angles P-C4'-P energy: -45.638 tors. eta vs tors. theta energy: 7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1525.515128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.515128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.515128 (E_RNA) where: Base-Base interactions energy: -940.665 where: short stacking energy: -488.701 Base-Backbone interact. energy: -4.650 local terms energy: -580.199880 where: bonds (distance) C4'-P energy: -122.239 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -124.204 flat angles P-C4'-P energy: -90.786 tors. eta vs tors. theta energy: -112.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1214.135281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.135281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.135281 (E_RNA) where: Base-Base interactions energy: -631.369 where: short stacking energy: -462.516 Base-Backbone interact. energy: -1.684 local terms energy: -581.083138 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -111.689 flat angles C4'-P-C4' energy: -118.345 flat angles P-C4'-P energy: -97.937 tors. eta vs tors. theta energy: -123.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1296.703733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.703733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.703733 (E_RNA) where: Base-Base interactions energy: -741.463 where: short stacking energy: -424.738 Base-Backbone interact. energy: -2.772 local terms energy: -552.468410 where: bonds (distance) C4'-P energy: -127.086 bonds (distance) P-C4' energy: -123.714 flat angles C4'-P-C4' energy: -130.591 flat angles P-C4'-P energy: -76.356 tors. eta vs tors. theta energy: -94.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -970.293581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.293581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.293581 (E_RNA) where: Base-Base interactions energy: -510.626 where: short stacking energy: -323.085 Base-Backbone interact. energy: -0.152 local terms energy: -459.516500 where: bonds (distance) C4'-P energy: -96.386 bonds (distance) P-C4' energy: -127.347 flat angles C4'-P-C4' energy: -125.522 flat angles P-C4'-P energy: -55.153 tors. eta vs tors. theta energy: -55.109 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -922.795441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.795441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.795441 (E_RNA) where: Base-Base interactions energy: -470.130 where: short stacking energy: -278.257 Base-Backbone interact. energy: -0.180 local terms energy: -452.484581 where: bonds (distance) C4'-P energy: -121.319 bonds (distance) P-C4' energy: -111.947 flat angles C4'-P-C4' energy: -113.989 flat angles P-C4'-P energy: -65.951 tors. eta vs tors. theta energy: -39.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -911.195578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.195578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.195578 (E_RNA) where: Base-Base interactions energy: -478.137 where: short stacking energy: -310.326 Base-Backbone interact. energy: -1.376 local terms energy: -431.681970 where: bonds (distance) C4'-P energy: -99.568 bonds (distance) P-C4' energy: -119.115 flat angles C4'-P-C4' energy: -88.279 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -46.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -690.429952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.429952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.429952 (E_RNA) where: Base-Base interactions energy: -282.426 where: short stacking energy: -176.977 Base-Backbone interact. energy: 7.523 local terms energy: -415.526199 where: bonds (distance) C4'-P energy: -123.039 bonds (distance) P-C4' energy: -115.676 flat angles C4'-P-C4' energy: -88.516 flat angles P-C4'-P energy: -81.999 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -749.315540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.315540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.315540 (E_RNA) where: Base-Base interactions energy: -335.536 where: short stacking energy: -207.633 Base-Backbone interact. energy: 5.866 local terms energy: -419.645677 where: bonds (distance) C4'-P energy: -129.390 bonds (distance) P-C4' energy: -125.727 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -60.718 tors. eta vs tors. theta energy: -6.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -617.223193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.223193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.223193 (E_RNA) where: Base-Base interactions energy: -278.443 where: short stacking energy: -176.733 Base-Backbone interact. energy: 6.100 local terms energy: -344.879974 where: bonds (distance) C4'-P energy: -113.530 bonds (distance) P-C4' energy: -116.322 flat angles C4'-P-C4' energy: -79.163 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: 22.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -504.067096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.067096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.067096 (E_RNA) where: Base-Base interactions energy: -198.345 where: short stacking energy: -152.054 Base-Backbone interact. energy: 1.770 local terms energy: -307.492269 where: bonds (distance) C4'-P energy: -91.751 bonds (distance) P-C4' energy: -93.061 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -54.552 tors. eta vs tors. theta energy: 22.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1544.734108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.734108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.734108 (E_RNA) where: Base-Base interactions energy: -955.148 where: short stacking energy: -493.421 Base-Backbone interact. energy: -0.479 local terms energy: -589.107055 where: bonds (distance) C4'-P energy: -133.128 bonds (distance) P-C4' energy: -132.799 flat angles C4'-P-C4' energy: -126.948 flat angles P-C4'-P energy: -84.315 tors. eta vs tors. theta energy: -111.918 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1393.465567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.465567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.465567 (E_RNA) where: Base-Base interactions energy: -842.581 where: short stacking energy: -476.922 Base-Backbone interact. energy: -3.403 local terms energy: -547.481954 where: bonds (distance) C4'-P energy: -115.578 bonds (distance) P-C4' energy: -123.174 flat angles C4'-P-C4' energy: -127.719 flat angles P-C4'-P energy: -76.596 tors. eta vs tors. theta energy: -104.415 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: 11 Temperature: 1.000000 Total energy: -1105.981388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.981388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.981388 (E_RNA) where: Base-Base interactions energy: -557.190 where: short stacking energy: -380.728 Base-Backbone interact. energy: -1.070 local terms energy: -547.721075 where: bonds (distance) C4'-P energy: -127.184 bonds (distance) P-C4' energy: -125.586 flat angles C4'-P-C4' energy: -121.579 flat angles P-C4'-P energy: -85.834 tors. eta vs tors. theta energy: -87.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1039.097400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.097400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.097400 (E_RNA) where: Base-Base interactions energy: -532.402 where: short stacking energy: -349.248 Base-Backbone interact. energy: -0.415 local terms energy: -506.280282 where: bonds (distance) C4'-P energy: -122.948 bonds (distance) P-C4' energy: -129.021 flat angles C4'-P-C4' energy: -112.060 flat angles P-C4'-P energy: -78.734 tors. eta vs tors. theta energy: -63.517 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: 11 Temperature: 1.100000 Total energy: -924.964946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.964946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.964946 (E_RNA) where: Base-Base interactions energy: -475.832 where: short stacking energy: -293.828 Base-Backbone interact. energy: 4.146 local terms energy: -453.278913 where: bonds (distance) C4'-P energy: -106.554 bonds (distance) P-C4' energy: -115.971 flat angles C4'-P-C4' energy: -108.987 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -49.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -995.351261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.351261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.351261 (E_RNA) where: Base-Base interactions energy: -585.835 where: short stacking energy: -302.507 Base-Backbone interact. energy: -0.492 local terms energy: -409.024239 where: bonds (distance) C4'-P energy: -88.961 bonds (distance) P-C4' energy: -112.291 flat angles C4'-P-C4' energy: -106.292 flat angles P-C4'-P energy: -61.589 tors. eta vs tors. theta energy: -39.891 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: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -748.872717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.872717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.872717 (E_RNA) where: Base-Base interactions energy: -327.486 where: short stacking energy: -234.427 Base-Backbone interact. energy: -1.510 local terms energy: -419.876403 where: bonds (distance) C4'-P energy: -104.529 bonds (distance) P-C4' energy: -134.758 flat angles C4'-P-C4' energy: -100.360 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -10.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -744.740757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.740757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.740757 (E_RNA) where: Base-Base interactions energy: -356.293 where: short stacking energy: -228.543 Base-Backbone interact. energy: -0.585 local terms energy: -387.862613 where: bonds (distance) C4'-P energy: -111.216 bonds (distance) P-C4' energy: -107.335 flat angles C4'-P-C4' energy: -88.027 flat angles P-C4'-P energy: -51.403 tors. eta vs tors. theta energy: -29.882 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: 11 Temperature: 1.300000 Total energy: -704.581972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.581972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.581972 (E_RNA) where: Base-Base interactions energy: -332.678 where: short stacking energy: -214.759 Base-Backbone interact. energy: 1.001 local terms energy: -372.904906 where: bonds (distance) C4'-P energy: -101.404 bonds (distance) P-C4' energy: -118.152 flat angles C4'-P-C4' energy: -90.020 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: 5.477 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: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -482.456081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.456081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.456081 (E_RNA) where: Base-Base interactions energy: -178.397 where: short stacking energy: -166.996 Base-Backbone interact. energy: -3.073 local terms energy: -300.986229 where: bonds (distance) C4'-P energy: -96.675 bonds (distance) P-C4' energy: -77.307 flat angles C4'-P-C4' energy: -95.742 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: 22.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1567.337724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.337724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.337724 (E_RNA) where: Base-Base interactions energy: -966.643 where: short stacking energy: -502.406 Base-Backbone interact. energy: -2.591 local terms energy: -598.104028 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -124.541 flat angles C4'-P-C4' energy: -130.732 flat angles P-C4'-P energy: -84.494 tors. eta vs tors. theta energy: -137.513 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1408.837733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.837733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.837733 (E_RNA) where: Base-Base interactions energy: -869.104 where: short stacking energy: -450.500 Base-Backbone interact. energy: -4.791 local terms energy: -534.942380 where: bonds (distance) C4'-P energy: -118.197 bonds (distance) P-C4' energy: -132.267 flat angles C4'-P-C4' energy: -124.026 flat angles P-C4'-P energy: -79.712 tors. eta vs tors. theta energy: -80.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1148.973639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.973639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.973639 (E_RNA) where: Base-Base interactions energy: -609.888 where: short stacking energy: -411.553 Base-Backbone interact. energy: -0.606 local terms energy: -538.479207 where: bonds (distance) C4'-P energy: -106.327 bonds (distance) P-C4' energy: -122.244 flat angles C4'-P-C4' energy: -125.577 flat angles P-C4'-P energy: -80.832 tors. eta vs tors. theta energy: -103.499 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: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1079.884034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.884034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.884034 (E_RNA) where: Base-Base interactions energy: -579.246 where: short stacking energy: -382.733 Base-Backbone interact. energy: -4.404 local terms energy: -496.233662 where: bonds (distance) C4'-P energy: -119.002 bonds (distance) P-C4' energy: -122.203 flat angles C4'-P-C4' energy: -101.507 flat angles P-C4'-P energy: -68.879 tors. eta vs tors. theta energy: -84.642 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: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1026.462679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.462679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.462679 (E_RNA) where: Base-Base interactions energy: -575.425 where: short stacking energy: -293.037 Base-Backbone interact. energy: -2.600 local terms energy: -448.438560 where: bonds (distance) C4'-P energy: -109.885 bonds (distance) P-C4' energy: -122.659 flat angles C4'-P-C4' energy: -110.786 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -37.710 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: 12 Temperature: 1.150000 Total energy: -883.009727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.009727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.009727 (E_RNA) where: Base-Base interactions energy: -441.880 where: short stacking energy: -275.254 Base-Backbone interact. energy: 2.455 local terms energy: -443.584550 where: bonds (distance) C4'-P energy: -103.369 bonds (distance) P-C4' energy: -121.003 flat angles C4'-P-C4' energy: -106.645 flat angles P-C4'-P energy: -68.368 tors. eta vs tors. theta energy: -44.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -811.862763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.862763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.862763 (E_RNA) where: Base-Base interactions energy: -401.332 where: short stacking energy: -255.017 Base-Backbone interact. energy: -1.499 local terms energy: -409.032337 where: bonds (distance) C4'-P energy: -104.601 bonds (distance) P-C4' energy: -107.392 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -23.126 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: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -744.217654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.217654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.217654 (E_RNA) where: Base-Base interactions energy: -355.286 where: short stacking energy: -226.368 Base-Backbone interact. energy: 2.997 local terms energy: -391.929266 where: bonds (distance) C4'-P energy: -113.158 bonds (distance) P-C4' energy: -107.823 flat angles C4'-P-C4' energy: -110.422 flat angles P-C4'-P energy: -60.370 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -619.049627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.049627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.049627 (E_RNA) where: Base-Base interactions energy: -274.935 where: short stacking energy: -179.703 Base-Backbone interact. energy: 1.217 local terms energy: -345.332072 where: bonds (distance) C4'-P energy: -108.403 bonds (distance) P-C4' energy: -105.207 flat angles C4'-P-C4' energy: -82.262 flat angles P-C4'-P energy: -48.915 tors. eta vs tors. theta energy: -0.544 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: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -500.471033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.471033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.471033 (E_RNA) where: Base-Base interactions energy: -162.266 where: short stacking energy: -154.133 Base-Backbone interact. energy: 1.060 local terms energy: -339.265434 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -106.823 flat angles C4'-P-C4' energy: -81.417 flat angles P-C4'-P energy: -63.321 tors. eta vs tors. theta energy: 6.475 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: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1627.113896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.113896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.113896 (E_RNA) where: Base-Base interactions energy: -1014.380 where: short stacking energy: -524.124 Base-Backbone interact. energy: -4.371 local terms energy: -608.363056 where: bonds (distance) C4'-P energy: -115.312 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -134.656 flat angles P-C4'-P energy: -94.184 tors. eta vs tors. theta energy: -132.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1517.195087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.195087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.195087 (E_RNA) where: Base-Base interactions energy: -901.116 where: short stacking energy: -495.155 Base-Backbone interact. energy: -4.311 local terms energy: -611.767365 where: bonds (distance) C4'-P energy: -129.842 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -141.307 flat angles P-C4'-P energy: -89.117 tors. eta vs tors. theta energy: -125.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1109.023605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.023605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.023605 (E_RNA) where: Base-Base interactions energy: -549.206 where: short stacking energy: -353.823 Base-Backbone interact. energy: -2.373 local terms energy: -557.444618 where: bonds (distance) C4'-P energy: -118.968 bonds (distance) P-C4' energy: -138.602 flat angles C4'-P-C4' energy: -129.265 flat angles P-C4'-P energy: -91.467 tors. eta vs tors. theta energy: -79.142 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: 13 Temperature: 1.050000 Total energy: -1023.828791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.828791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.828791 (E_RNA) where: Base-Base interactions energy: -550.451 where: short stacking energy: -348.437 Base-Backbone interact. energy: 2.204 local terms energy: -475.581977 where: bonds (distance) C4'-P energy: -103.633 bonds (distance) P-C4' energy: -112.268 flat angles C4'-P-C4' energy: -127.196 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: -62.331 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: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1029.904938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.904938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.904938 (E_RNA) where: Base-Base interactions energy: -566.188 where: short stacking energy: -323.470 Base-Backbone interact. energy: 2.565 local terms energy: -466.282594 where: bonds (distance) C4'-P energy: -103.497 bonds (distance) P-C4' energy: -127.135 flat angles C4'-P-C4' energy: -102.949 flat angles P-C4'-P energy: -78.003 tors. eta vs tors. theta energy: -54.698 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: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -971.317111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.317111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.317111 (E_RNA) where: Base-Base interactions energy: -531.988 where: short stacking energy: -309.676 Base-Backbone interact. energy: 0.495 local terms energy: -439.823977 where: bonds (distance) C4'-P energy: -105.566 bonds (distance) P-C4' energy: -121.444 flat angles C4'-P-C4' energy: -106.832 flat angles P-C4'-P energy: -68.799 tors. eta vs tors. theta energy: -37.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -793.871818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.871818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.871818 (E_RNA) where: Base-Base interactions energy: -381.268 where: short stacking energy: -253.669 Base-Backbone interact. energy: -2.175 local terms energy: -410.429575 where: bonds (distance) C4'-P energy: -103.342 bonds (distance) P-C4' energy: -94.626 flat angles C4'-P-C4' energy: -106.484 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: -30.957 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: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -770.509576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.509576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.509576 (E_RNA) where: Base-Base interactions energy: -407.147 where: short stacking energy: -236.521 Base-Backbone interact. energy: 0.256 local terms energy: -363.618674 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -102.662 flat angles C4'-P-C4' energy: -96.297 flat angles P-C4'-P energy: -41.692 tors. eta vs tors. theta energy: -1.820 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: 13 Temperature: 1.300000 Total energy: -677.543352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.543352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.543352 (E_RNA) where: Base-Base interactions energy: -303.634 where: short stacking energy: -203.711 Base-Backbone interact. energy: -2.193 local terms energy: -371.716098 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -103.847 flat angles C4'-P-C4' energy: -95.467 flat angles P-C4'-P energy: -47.150 tors. eta vs tors. theta energy: -16.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -571.483836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.483836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.483836 (E_RNA) where: Base-Base interactions energy: -225.440 where: short stacking energy: -156.515 Base-Backbone interact. energy: -0.483 local terms energy: -345.560581 where: bonds (distance) C4'-P energy: -100.092 bonds (distance) P-C4' energy: -108.921 flat angles C4'-P-C4' energy: -84.429 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: 9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1656.850311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.850311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.850311 (E_RNA) where: Base-Base interactions energy: -1045.260 where: short stacking energy: -518.860 Base-Backbone interact. energy: -3.779 local terms energy: -607.811661 where: bonds (distance) C4'-P energy: -121.829 bonds (distance) P-C4' energy: -123.410 flat angles C4'-P-C4' energy: -132.149 flat angles P-C4'-P energy: -92.860 tors. eta vs tors. theta energy: -137.564 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: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1537.030683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.030683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.030683 (E_RNA) where: Base-Base interactions energy: -918.536 where: short stacking energy: -474.545 Base-Backbone interact. energy: -3.000 local terms energy: -615.494622 where: bonds (distance) C4'-P energy: -126.393 bonds (distance) P-C4' energy: -132.602 flat angles C4'-P-C4' energy: -125.253 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -137.362 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1195.390258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.390258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.390258 (E_RNA) where: Base-Base interactions energy: -659.893 where: short stacking energy: -417.108 Base-Backbone interact. energy: -1.084 local terms energy: -534.412818 where: bonds (distance) C4'-P energy: -124.382 bonds (distance) P-C4' energy: -124.449 flat angles C4'-P-C4' energy: -122.322 flat angles P-C4'-P energy: -79.361 tors. eta vs tors. theta energy: -83.899 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: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1099.253144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.253144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.253144 (E_RNA) where: Base-Base interactions energy: -605.380 where: short stacking energy: -366.334 Base-Backbone interact. energy: -4.040 local terms energy: -489.832983 where: bonds (distance) C4'-P energy: -116.769 bonds (distance) P-C4' energy: -109.785 flat angles C4'-P-C4' energy: -104.623 flat angles P-C4'-P energy: -75.783 tors. eta vs tors. theta energy: -82.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1102.430639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.430639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.430639 (E_RNA) where: Base-Base interactions energy: -631.450 where: short stacking energy: -329.419 Base-Backbone interact. energy: -3.477 local terms energy: -467.504133 where: bonds (distance) C4'-P energy: -101.104 bonds (distance) P-C4' energy: -105.562 flat angles C4'-P-C4' energy: -119.682 flat angles P-C4'-P energy: -73.789 tors. eta vs tors. theta energy: -67.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1044.376033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.376033 (E_RNA) where: Base-Base interactions energy: -601.103 where: short stacking energy: -321.809 Base-Backbone interact. energy: 1.262 local terms energy: -444.535421 where: bonds (distance) C4'-P energy: -121.042 bonds (distance) P-C4' energy: -104.236 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -66.973 tors. eta vs tors. theta energy: -53.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -813.043013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.043013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.043013 (E_RNA) where: Base-Base interactions energy: -392.765 where: short stacking energy: -247.191 Base-Backbone interact. energy: -1.159 local terms energy: -419.118801 where: bonds (distance) C4'-P energy: -97.652 bonds (distance) P-C4' energy: -120.253 flat angles C4'-P-C4' energy: -104.680 flat angles P-C4'-P energy: -71.176 tors. eta vs tors. theta energy: -25.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -767.980357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.980357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.980357 (E_RNA) where: Base-Base interactions energy: -409.688 where: short stacking energy: -239.546 Base-Backbone interact. energy: -2.606 local terms energy: -355.686092 where: bonds (distance) C4'-P energy: -102.207 bonds (distance) P-C4' energy: -112.959 flat angles C4'-P-C4' energy: -88.085 flat angles P-C4'-P energy: -44.439 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -532.386852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.386852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.386852 (E_RNA) where: Base-Base interactions energy: -196.529 where: short stacking energy: -156.561 Base-Backbone interact. energy: 4.049 local terms energy: -339.907250 where: bonds (distance) C4'-P energy: -98.977 bonds (distance) P-C4' energy: -110.737 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: 28.555 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: 14 Temperature: 1.350000 Total energy: -608.597297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.597297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.597297 (E_RNA) where: Base-Base interactions energy: -285.264 where: short stacking energy: -173.019 Base-Backbone interact. energy: 2.366 local terms energy: -325.698996 where: bonds (distance) C4'-P energy: -102.358 bonds (distance) P-C4' energy: -108.622 flat angles C4'-P-C4' energy: -73.085 flat angles P-C4'-P energy: -44.950 tors. eta vs tors. theta energy: 3.316 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: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1659.817070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.817070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.817070 (E_RNA) where: Base-Base interactions energy: -1050.725 where: short stacking energy: -513.990 Base-Backbone interact. energy: -3.583 local terms energy: -605.508691 where: bonds (distance) C4'-P energy: -127.647 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -125.381 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -135.341 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1608.153474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.153474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.153474 (E_RNA) where: Base-Base interactions energy: -1006.368 where: short stacking energy: -492.496 Base-Backbone interact. energy: -4.471 local terms energy: -597.314603 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -138.731 flat angles C4'-P-C4' energy: -128.839 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -126.584 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1221.493548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.493548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.493548 (E_RNA) where: Base-Base interactions energy: -693.755 where: short stacking energy: -415.714 Base-Backbone interact. energy: -1.884 local terms energy: -525.855429 where: bonds (distance) C4'-P energy: -113.628 bonds (distance) P-C4' energy: -120.075 flat angles C4'-P-C4' energy: -134.057 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -86.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1198.356593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.356593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.356593 (E_RNA) where: Base-Base interactions energy: -667.024 where: short stacking energy: -386.134 Base-Backbone interact. energy: -0.597 local terms energy: -530.735438 where: bonds (distance) C4'-P energy: -128.152 bonds (distance) P-C4' energy: -118.349 flat angles C4'-P-C4' energy: -130.379 flat angles P-C4'-P energy: -78.409 tors. eta vs tors. theta energy: -75.448 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: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1009.614411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.614411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.614411 (E_RNA) where: Base-Base interactions energy: -546.409 where: short stacking energy: -315.099 Base-Backbone interact. energy: -1.104 local terms energy: -462.101195 where: bonds (distance) C4'-P energy: -107.763 bonds (distance) P-C4' energy: -125.925 flat angles C4'-P-C4' energy: -101.732 flat angles P-C4'-P energy: -74.379 tors. eta vs tors. theta energy: -52.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1101.768058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.768058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.768058 (E_RNA) where: Base-Base interactions energy: -642.241 where: short stacking energy: -346.663 Base-Backbone interact. energy: 0.155 local terms energy: -459.681786 where: bonds (distance) C4'-P energy: -102.630 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -111.330 flat angles P-C4'-P energy: -59.755 tors. eta vs tors. theta energy: -66.529 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: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -774.691847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.691847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.691847 (E_RNA) where: Base-Base interactions energy: -361.715 where: short stacking energy: -257.158 Base-Backbone interact. energy: -5.971 local terms energy: -407.006382 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -112.322 flat angles C4'-P-C4' energy: -104.574 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -16.984 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: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -827.300540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.300540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.300540 (E_RNA) where: Base-Base interactions energy: -435.566 where: short stacking energy: -236.381 Base-Backbone interact. energy: -0.463 local terms energy: -391.271972 where: bonds (distance) C4'-P energy: -100.362 bonds (distance) P-C4' energy: -103.856 flat angles C4'-P-C4' energy: -93.570 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -28.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -567.349238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.349238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.349238 (E_RNA) where: Base-Base interactions energy: -241.880 where: short stacking energy: -173.491 Base-Backbone interact. energy: -0.788 local terms energy: -324.681859 where: bonds (distance) C4'-P energy: -98.410 bonds (distance) P-C4' energy: -90.110 flat angles C4'-P-C4' energy: -89.026 flat angles P-C4'-P energy: -60.902 tors. eta vs tors. theta energy: 13.765 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: 15 Temperature: 1.350000 Total energy: -588.248319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.248319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.248319 (E_RNA) where: Base-Base interactions energy: -277.924 where: short stacking energy: -189.432 Base-Backbone interact. energy: -0.676 local terms energy: -309.648388 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -109.872 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -30.938 tors. eta vs tors. theta energy: 11.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1699.812385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.812385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.812385 (E_RNA) where: Base-Base interactions energy: -1065.050 where: short stacking energy: -523.593 Base-Backbone interact. energy: -5.908 local terms energy: -628.853500 where: bonds (distance) C4'-P energy: -126.094 bonds (distance) P-C4' energy: -133.407 flat angles C4'-P-C4' energy: -134.155 flat angles P-C4'-P energy: -94.239 tors. eta vs tors. theta energy: -140.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1627.107232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.107232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.107232 (E_RNA) where: Base-Base interactions energy: -1037.698 where: short stacking energy: -492.970 Base-Backbone interact. energy: -2.274 local terms energy: -587.134501 where: bonds (distance) C4'-P energy: -115.834 bonds (distance) P-C4' energy: -132.036 flat angles C4'-P-C4' energy: -136.975 flat angles P-C4'-P energy: -82.655 tors. eta vs tors. theta energy: -119.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1282.516562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.516562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.516562 (E_RNA) where: Base-Base interactions energy: -756.025 where: short stacking energy: -417.622 Base-Backbone interact. energy: -0.102 local terms energy: -526.389607 where: bonds (distance) C4'-P energy: -114.702 bonds (distance) P-C4' energy: -131.701 flat angles C4'-P-C4' energy: -113.536 flat angles P-C4'-P energy: -67.700 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: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1170.798516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.798516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.798516 (E_RNA) where: Base-Base interactions energy: -655.183 where: short stacking energy: -371.224 Base-Backbone interact. energy: -1.359 local terms energy: -514.257024 where: bonds (distance) C4'-P energy: -117.592 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -129.144 flat angles P-C4'-P energy: -75.701 tors. eta vs tors. theta energy: -71.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1150.018304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.018304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.018304 (E_RNA) where: Base-Base interactions energy: -674.626 where: short stacking energy: -370.956 Base-Backbone interact. energy: 1.402 local terms energy: -476.794834 where: bonds (distance) C4'-P energy: -104.332 bonds (distance) P-C4' energy: -118.597 flat angles C4'-P-C4' energy: -119.028 flat angles P-C4'-P energy: -72.649 tors. eta vs tors. theta energy: -62.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -960.843511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.843511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.843511 (E_RNA) where: Base-Base interactions energy: -492.548 where: short stacking energy: -326.461 Base-Backbone interact. energy: 0.002 local terms energy: -468.297080 where: bonds (distance) C4'-P energy: -110.599 bonds (distance) P-C4' energy: -112.002 flat angles C4'-P-C4' energy: -122.294 flat angles P-C4'-P energy: -60.849 tors. eta vs tors. theta energy: -62.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -898.207890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.207890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.207890 (E_RNA) where: Base-Base interactions energy: -467.736 where: short stacking energy: -283.085 Base-Backbone interact. energy: -3.196 local terms energy: -427.276122 where: bonds (distance) C4'-P energy: -119.020 bonds (distance) P-C4' energy: -107.465 flat angles C4'-P-C4' energy: -92.284 flat angles P-C4'-P energy: -65.719 tors. eta vs tors. theta energy: -42.788 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -764.206910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.206910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.206910 (E_RNA) where: Base-Base interactions energy: -375.945 where: short stacking energy: -231.569 Base-Backbone interact. energy: 1.059 local terms energy: -389.321514 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -117.753 flat angles C4'-P-C4' energy: -105.436 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: -21.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -643.080450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.080450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.080450 (E_RNA) where: Base-Base interactions energy: -304.639 where: short stacking energy: -215.531 Base-Backbone interact. energy: -1.303 local terms energy: -337.138424 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -93.481 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: 7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -513.550599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.550599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.550599 (E_RNA) where: Base-Base interactions energy: -164.013 where: short stacking energy: -133.048 Base-Backbone interact. energy: 0.656 local terms energy: -350.193675 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -124.297 flat angles C4'-P-C4' energy: -97.207 flat angles P-C4'-P energy: -39.395 tors. eta vs tors. theta energy: 11.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1686.002610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.002610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.002610 (E_RNA) where: Base-Base interactions energy: -1095.766 where: short stacking energy: -502.303 Base-Backbone interact. energy: -0.895 local terms energy: -589.342155 where: bonds (distance) C4'-P energy: -123.242 bonds (distance) P-C4' energy: -133.999 flat angles C4'-P-C4' energy: -137.337 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -118.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1584.162213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.162213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.162213 (E_RNA) where: Base-Base interactions energy: -992.098 where: short stacking energy: -486.042 Base-Backbone interact. energy: 1.057 local terms energy: -593.120940 where: bonds (distance) C4'-P energy: -124.474 bonds (distance) P-C4' energy: -125.273 flat angles C4'-P-C4' energy: -133.368 flat angles P-C4'-P energy: -81.803 tors. eta vs tors. theta energy: -128.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1301.673258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.673258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.673258 (E_RNA) where: Base-Base interactions energy: -780.141 where: short stacking energy: -411.123 Base-Backbone interact. energy: 2.807 local terms energy: -524.339010 where: bonds (distance) C4'-P energy: -111.032 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -130.076 flat angles P-C4'-P energy: -83.725 tors. eta vs tors. theta energy: -78.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1204.122473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.122473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.122473 (E_RNA) where: Base-Base interactions energy: -691.265 where: short stacking energy: -369.503 Base-Backbone interact. energy: -1.257 local terms energy: -511.599866 where: bonds (distance) C4'-P energy: -117.169 bonds (distance) P-C4' energy: -116.667 flat angles C4'-P-C4' energy: -113.736 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -84.471 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: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1172.468985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.468985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.468985 (E_RNA) where: Base-Base interactions energy: -668.637 where: short stacking energy: -401.131 Base-Backbone interact. energy: -0.673 local terms energy: -503.159477 where: bonds (distance) C4'-P energy: -113.591 bonds (distance) P-C4' energy: -124.602 flat angles C4'-P-C4' energy: -109.218 flat angles P-C4'-P energy: -77.495 tors. eta vs tors. theta energy: -78.253 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: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1034.924396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.924396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.924396 (E_RNA) where: Base-Base interactions energy: -573.451 where: short stacking energy: -324.377 Base-Backbone interact. energy: 6.114 local terms energy: -467.586955 where: bonds (distance) C4'-P energy: -115.660 bonds (distance) P-C4' energy: -122.982 flat angles C4'-P-C4' energy: -118.474 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -49.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -801.972236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.972236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.972236 (E_RNA) where: Base-Base interactions energy: -391.313 where: short stacking energy: -253.522 Base-Backbone interact. energy: 0.751 local terms energy: -411.409561 where: bonds (distance) C4'-P energy: -111.542 bonds (distance) P-C4' energy: -112.934 flat angles C4'-P-C4' energy: -93.513 flat angles P-C4'-P energy: -72.908 tors. eta vs tors. theta energy: -20.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -799.495262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.495262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.495262 (E_RNA) where: Base-Base interactions energy: -372.826 where: short stacking energy: -205.555 Base-Backbone interact. energy: -1.929 local terms energy: -424.740461 where: bonds (distance) C4'-P energy: -114.190 bonds (distance) P-C4' energy: -121.774 flat angles C4'-P-C4' energy: -105.626 flat angles P-C4'-P energy: -79.214 tors. eta vs tors. theta energy: -3.937 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: 17 Temperature: 1.300000 Total energy: -640.344319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.344319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.344319 (E_RNA) where: Base-Base interactions energy: -264.669 where: short stacking energy: -180.014 Base-Backbone interact. energy: -0.834 local terms energy: -374.841712 where: bonds (distance) C4'-P energy: -116.293 bonds (distance) P-C4' energy: -115.028 flat angles C4'-P-C4' energy: -98.159 flat angles P-C4'-P energy: -43.303 tors. eta vs tors. theta energy: -2.058 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: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -552.657210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.657210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.657210 (E_RNA) where: Base-Base interactions energy: -217.838 where: short stacking energy: -151.807 Base-Backbone interact. energy: -0.242 local terms energy: -334.577452 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -114.199 flat angles C4'-P-C4' energy: -82.173 flat angles P-C4'-P energy: -52.469 tors. eta vs tors. theta energy: 19.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1710.704510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.704510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.704510 (E_RNA) where: Base-Base interactions energy: -1110.908 where: short stacking energy: -523.523 Base-Backbone interact. energy: -2.311 local terms energy: -597.485458 where: bonds (distance) C4'-P energy: -123.536 bonds (distance) P-C4' energy: -134.433 flat angles C4'-P-C4' energy: -131.046 flat angles P-C4'-P energy: -78.034 tors. eta vs tors. theta energy: -130.437 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: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1596.188307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.188307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.188307 (E_RNA) where: Base-Base interactions energy: -994.782 where: short stacking energy: -466.824 Base-Backbone interact. energy: -2.346 local terms energy: -599.060217 where: bonds (distance) C4'-P energy: -123.834 bonds (distance) P-C4' energy: -131.180 flat angles C4'-P-C4' energy: -138.814 flat angles P-C4'-P energy: -80.427 tors. eta vs tors. theta energy: -124.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1330.987565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.987565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.987565 (E_RNA) where: Base-Base interactions energy: -827.453 where: short stacking energy: -411.631 Base-Backbone interact. energy: 0.336 local terms energy: -503.870121 where: bonds (distance) C4'-P energy: -111.207 bonds (distance) P-C4' energy: -123.321 flat angles C4'-P-C4' energy: -105.101 flat angles P-C4'-P energy: -83.487 tors. eta vs tors. theta energy: -80.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1257.744739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.744739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.744739 (E_RNA) where: Base-Base interactions energy: -744.544 where: short stacking energy: -417.421 Base-Backbone interact. energy: -2.420 local terms energy: -510.780653 where: bonds (distance) C4'-P energy: -108.947 bonds (distance) P-C4' energy: -127.040 flat angles C4'-P-C4' energy: -111.059 flat angles P-C4'-P energy: -69.371 tors. eta vs tors. theta energy: -94.364 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1191.145820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.145820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.145820 (E_RNA) where: Base-Base interactions energy: -679.326 where: short stacking energy: -371.288 Base-Backbone interact. energy: -2.397 local terms energy: -509.422885 where: bonds (distance) C4'-P energy: -113.086 bonds (distance) P-C4' energy: -118.622 flat angles C4'-P-C4' energy: -123.008 flat angles P-C4'-P energy: -81.991 tors. eta vs tors. theta energy: -72.715 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: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1078.086159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.086159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.086159 (E_RNA) where: Base-Base interactions energy: -613.412 where: short stacking energy: -333.528 Base-Backbone interact. energy: 2.167 local terms energy: -466.841758 where: bonds (distance) C4'-P energy: -116.859 bonds (distance) P-C4' energy: -119.336 flat angles C4'-P-C4' energy: -106.469 flat angles P-C4'-P energy: -62.869 tors. eta vs tors. theta energy: -61.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -835.636201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.636201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.636201 (E_RNA) where: Base-Base interactions energy: -429.210 where: short stacking energy: -247.043 Base-Backbone interact. energy: -1.365 local terms energy: -405.061479 where: bonds (distance) C4'-P energy: -100.411 bonds (distance) P-C4' energy: -109.202 flat angles C4'-P-C4' energy: -99.448 flat angles P-C4'-P energy: -57.256 tors. eta vs tors. theta energy: -38.744 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: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -665.759373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.759373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.759373 (E_RNA) where: Base-Base interactions energy: -287.285 where: short stacking energy: -186.861 Base-Backbone interact. energy: -3.414 local terms energy: -375.060805 where: bonds (distance) C4'-P energy: -103.589 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -64.395 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: -17.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -667.199671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.199671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.199671 (E_RNA) where: Base-Base interactions energy: -308.937 where: short stacking energy: -210.489 Base-Backbone interact. energy: 0.530 local terms energy: -358.793206 where: bonds (distance) C4'-P energy: -87.444 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -95.172 flat angles P-C4'-P energy: -46.746 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -532.849197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.849197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.849197 (E_RNA) where: Base-Base interactions energy: -203.040 where: short stacking energy: -148.502 Base-Backbone interact. energy: 3.137 local terms energy: -332.945761 where: bonds (distance) C4'-P energy: -111.296 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -87.139 flat angles P-C4'-P energy: -55.328 tors. eta vs tors. theta energy: 25.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1711.665344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.665344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.665344 (E_RNA) where: Base-Base interactions energy: -1098.422 where: short stacking energy: -516.622 Base-Backbone interact. energy: -3.065 local terms energy: -610.177877 where: bonds (distance) C4'-P energy: -127.098 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -130.187 flat angles P-C4'-P energy: -88.383 tors. eta vs tors. theta energy: -136.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1642.752827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.752827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.752827 (E_RNA) where: Base-Base interactions energy: -1005.761 where: short stacking energy: -497.290 Base-Backbone interact. energy: -0.402 local terms energy: -636.589173 where: bonds (distance) C4'-P energy: -117.963 bonds (distance) P-C4' energy: -136.801 flat angles C4'-P-C4' energy: -134.779 flat angles P-C4'-P energy: -104.089 tors. eta vs tors. theta energy: -142.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1415.480450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.480450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.480450 (E_RNA) where: Base-Base interactions energy: -895.547 where: short stacking energy: -441.340 Base-Backbone interact. energy: -4.286 local terms energy: -515.647663 where: bonds (distance) C4'-P energy: -109.715 bonds (distance) P-C4' energy: -113.814 flat angles C4'-P-C4' energy: -125.916 flat angles P-C4'-P energy: -71.010 tors. eta vs tors. theta energy: -95.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1319.914531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.914531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.914531 (E_RNA) where: Base-Base interactions energy: -793.940 where: short stacking energy: -396.123 Base-Backbone interact. energy: -2.436 local terms energy: -523.538449 where: bonds (distance) C4'-P energy: -132.972 bonds (distance) P-C4' energy: -115.894 flat angles C4'-P-C4' energy: -105.849 flat angles P-C4'-P energy: -79.551 tors. eta vs tors. theta energy: -89.273 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: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1202.117451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.117451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.117451 (E_RNA) where: Base-Base interactions energy: -702.726 where: short stacking energy: -376.337 Base-Backbone interact. energy: -1.586 local terms energy: -497.804972 where: bonds (distance) C4'-P energy: -118.243 bonds (distance) P-C4' energy: -129.343 flat angles C4'-P-C4' energy: -120.043 flat angles P-C4'-P energy: -62.910 tors. eta vs tors. theta energy: -67.265 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: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1050.549789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.549789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.549789 (E_RNA) where: Base-Base interactions energy: -592.781 where: short stacking energy: -302.938 Base-Backbone interact. energy: 6.567 local terms energy: -464.335246 where: bonds (distance) C4'-P energy: -123.993 bonds (distance) P-C4' energy: -111.477 flat angles C4'-P-C4' energy: -115.226 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -47.403 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: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -940.112778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.112778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.112778 (E_RNA) where: Base-Base interactions energy: -483.778 where: short stacking energy: -293.477 Base-Backbone interact. energy: 0.269 local terms energy: -456.603517 where: bonds (distance) C4'-P energy: -105.604 bonds (distance) P-C4' energy: -124.917 flat angles C4'-P-C4' energy: -124.991 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -33.968 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: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -781.208474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.208474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.208474 (E_RNA) where: Base-Base interactions energy: -396.351 where: short stacking energy: -247.939 Base-Backbone interact. energy: 0.652 local terms energy: -385.509165 where: bonds (distance) C4'-P energy: -101.641 bonds (distance) P-C4' energy: -112.286 flat angles C4'-P-C4' energy: -98.661 flat angles P-C4'-P energy: -56.907 tors. eta vs tors. theta energy: -16.014 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: 9, replica: 2 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -617.509380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.509380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.509380 (E_RNA) where: Base-Base interactions energy: -261.724 where: short stacking energy: -169.535 Base-Backbone interact. energy: -2.471 local terms energy: -353.314864 where: bonds (distance) C4'-P energy: -105.267 bonds (distance) P-C4' energy: -101.433 flat angles C4'-P-C4' energy: -108.567 flat angles P-C4'-P energy: -32.185 tors. eta vs tors. theta energy: -5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -484.685129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.685129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.685129 (E_RNA) where: Base-Base interactions energy: -168.425 where: short stacking energy: -147.188 Base-Backbone interact. energy: -0.541 local terms energy: -315.719909 where: bonds (distance) C4'-P energy: -110.206 bonds (distance) P-C4' energy: -111.826 flat angles C4'-P-C4' energy: -72.897 flat angles P-C4'-P energy: -61.493 tors. eta vs tors. theta energy: 40.702 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: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1724.684249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.684249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.684249 (E_RNA) where: Base-Base interactions energy: -1098.434 where: short stacking energy: -559.337 Base-Backbone interact. energy: -1.227 local terms energy: -625.022870 where: bonds (distance) C4'-P energy: -131.394 bonds (distance) P-C4' energy: -121.369 flat angles C4'-P-C4' energy: -137.703 flat angles P-C4'-P energy: -83.065 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: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1701.993468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.993468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.993468 (E_RNA) where: Base-Base interactions energy: -1100.870 where: short stacking energy: -521.311 Base-Backbone interact. energy: -3.498 local terms energy: -597.625309 where: bonds (distance) C4'-P energy: -124.008 bonds (distance) P-C4' energy: -119.565 flat angles C4'-P-C4' energy: -131.692 flat angles P-C4'-P energy: -83.249 tors. eta vs tors. theta energy: -139.110 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: 20 Temperature: 1.000000 Total energy: -1451.653783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.653783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.653783 (E_RNA) where: Base-Base interactions energy: -909.602 where: short stacking energy: -451.555 Base-Backbone interact. energy: 4.022 local terms energy: -546.073705 where: bonds (distance) C4'-P energy: -108.054 bonds (distance) P-C4' energy: -126.773 flat angles C4'-P-C4' energy: -122.282 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -103.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1323.949122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.949122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.949122 (E_RNA) where: Base-Base interactions energy: -814.515 where: short stacking energy: -396.232 Base-Backbone interact. energy: -1.434 local terms energy: -507.999900 where: bonds (distance) C4'-P energy: -115.153 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -71.540 tors. eta vs tors. theta energy: -94.192 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: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1239.821767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.821767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.821767 (E_RNA) where: Base-Base interactions energy: -734.691 where: short stacking energy: -373.090 Base-Backbone interact. energy: -4.024 local terms energy: -501.106779 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -120.982 flat angles C4'-P-C4' energy: -116.363 flat angles P-C4'-P energy: -81.555 tors. eta vs tors. theta energy: -68.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1102.000045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.000045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.000045 (E_RNA) where: Base-Base interactions energy: -656.460 where: short stacking energy: -336.401 Base-Backbone interact. energy: 1.893 local terms energy: -447.432472 where: bonds (distance) C4'-P energy: -100.481 bonds (distance) P-C4' energy: -109.386 flat angles C4'-P-C4' energy: -103.066 flat angles P-C4'-P energy: -77.081 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: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -860.370010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.370010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.370010 (E_RNA) where: Base-Base interactions energy: -422.357 where: short stacking energy: -242.307 Base-Backbone interact. energy: 0.029 local terms energy: -438.041774 where: bonds (distance) C4'-P energy: -121.744 bonds (distance) P-C4' energy: -119.945 flat angles C4'-P-C4' energy: -109.876 flat angles P-C4'-P energy: -75.890 tors. eta vs tors. theta energy: -10.587 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: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -718.294487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.294487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.294487 (E_RNA) where: Base-Base interactions energy: -330.329 where: short stacking energy: -228.068 Base-Backbone interact. energy: 1.262 local terms energy: -389.228298 where: bonds (distance) C4'-P energy: -94.446 bonds (distance) P-C4' energy: -105.513 flat angles C4'-P-C4' energy: -100.895 flat angles P-C4'-P energy: -58.813 tors. eta vs tors. theta energy: -29.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -656.817724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.817724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.817724 (E_RNA) where: Base-Base interactions energy: -292.697 where: short stacking energy: -188.294 Base-Backbone interact. energy: -0.574 local terms energy: -363.546097 where: bonds (distance) C4'-P energy: -98.316 bonds (distance) P-C4' energy: -119.385 flat angles C4'-P-C4' energy: -102.963 flat angles P-C4'-P energy: -60.774 tors. eta vs tors. theta energy: 17.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -500.659689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.659689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.659689 (E_RNA) where: Base-Base interactions energy: -176.352 where: short stacking energy: -164.939 Base-Backbone interact. energy: 1.837 local terms energy: -326.144137 where: bonds (distance) C4'-P energy: -89.533 bonds (distance) P-C4' energy: -94.876 flat angles C4'-P-C4' energy: -83.510 flat angles P-C4'-P energy: -60.647 tors. eta vs tors. theta energy: 2.422 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: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1783.268569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.268569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.268569 (E_RNA) where: Base-Base interactions energy: -1158.369 where: short stacking energy: -561.073 Base-Backbone interact. energy: 3.547 local terms energy: -628.447195 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -138.592 flat angles C4'-P-C4' energy: -134.498 flat angles P-C4'-P energy: -90.764 tors. eta vs tors. theta energy: -147.474 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1674.160862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.160862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.160862 (E_RNA) where: Base-Base interactions energy: -1092.797 where: short stacking energy: -496.101 Base-Backbone interact. energy: -2.684 local terms energy: -578.679870 where: bonds (distance) C4'-P energy: -126.067 bonds (distance) P-C4' energy: -128.398 flat angles C4'-P-C4' energy: -136.377 flat angles P-C4'-P energy: -71.313 tors. eta vs tors. theta energy: -116.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1503.638958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.638958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.638958 (E_RNA) where: Base-Base interactions energy: -948.255 where: short stacking energy: -465.824 Base-Backbone interact. energy: -3.927 local terms energy: -551.456351 where: bonds (distance) C4'-P energy: -106.423 bonds (distance) P-C4' energy: -135.469 flat angles C4'-P-C4' energy: -125.815 flat angles P-C4'-P energy: -77.884 tors. eta vs tors. theta energy: -105.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1343.584054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.584054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.584054 (E_RNA) where: Base-Base interactions energy: -835.858 where: short stacking energy: -392.589 Base-Backbone interact. energy: -1.135 local terms energy: -506.590475 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -108.547 flat angles C4'-P-C4' energy: -124.349 flat angles P-C4'-P energy: -85.167 tors. eta vs tors. theta energy: -86.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1309.977611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.977611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.977611 (E_RNA) where: Base-Base interactions energy: -798.867 where: short stacking energy: -419.777 Base-Backbone interact. energy: 4.058 local terms energy: -515.168805 where: bonds (distance) C4'-P energy: -108.463 bonds (distance) P-C4' energy: -131.052 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -98.135 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: 21 Temperature: 1.150000 Total energy: -1095.710661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.710661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.710661 (E_RNA) where: Base-Base interactions energy: -633.950 where: short stacking energy: -351.760 Base-Backbone interact. energy: 5.018 local terms energy: -466.779484 where: bonds (distance) C4'-P energy: -112.528 bonds (distance) P-C4' energy: -123.135 flat angles C4'-P-C4' energy: -109.510 flat angles P-C4'-P energy: -59.267 tors. eta vs tors. theta energy: -62.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -912.837597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.837597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.837597 (E_RNA) where: Base-Base interactions energy: -510.261 where: short stacking energy: -286.476 Base-Backbone interact. energy: -2.501 local terms energy: -400.075038 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -120.666 flat angles C4'-P-C4' energy: -104.196 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -38.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -738.703082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.703082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.703082 (E_RNA) where: Base-Base interactions energy: -349.615 where: short stacking energy: -211.857 Base-Backbone interact. energy: -1.765 local terms energy: -387.323412 where: bonds (distance) C4'-P energy: -97.016 bonds (distance) P-C4' energy: -103.012 flat angles C4'-P-C4' energy: -104.727 flat angles P-C4'-P energy: -73.765 tors. eta vs tors. theta energy: -8.804 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: 2 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -629.869515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.869515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.869515 (E_RNA) where: Base-Base interactions energy: -235.774 where: short stacking energy: -191.191 Base-Backbone interact. energy: -2.223 local terms energy: -391.872521 where: bonds (distance) C4'-P energy: -105.402 bonds (distance) P-C4' energy: -113.184 flat angles C4'-P-C4' energy: -89.725 flat angles P-C4'-P energy: -74.225 tors. eta vs tors. theta energy: -9.336 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: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -481.233117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.233117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.233117 (E_RNA) where: Base-Base interactions energy: -165.647 where: short stacking energy: -131.815 Base-Backbone interact. energy: 5.032 local terms energy: -320.617447 where: bonds (distance) C4'-P energy: -103.241 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -79.526 flat angles P-C4'-P energy: -56.054 tors. eta vs tors. theta energy: 35.520 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: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1792.611592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.611592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.611592 (E_RNA) where: Base-Base interactions energy: -1161.639 where: short stacking energy: -535.932 Base-Backbone interact. energy: -2.485 local terms energy: -628.488415 where: bonds (distance) C4'-P energy: -120.768 bonds (distance) P-C4' energy: -132.136 flat angles C4'-P-C4' energy: -135.267 flat angles P-C4'-P energy: -90.856 tors. eta vs tors. theta energy: -149.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1683.518648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.518648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.518648 (E_RNA) where: Base-Base interactions energy: -1064.016 where: short stacking energy: -536.183 Base-Backbone interact. energy: 0.775 local terms energy: -620.277751 where: bonds (distance) C4'-P energy: -141.281 bonds (distance) P-C4' energy: -126.080 flat angles C4'-P-C4' energy: -135.747 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -137.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1476.877742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.877742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.877742 (E_RNA) where: Base-Base interactions energy: -926.644 where: short stacking energy: -490.370 Base-Backbone interact. energy: 0.838 local terms energy: -551.071858 where: bonds (distance) C4'-P energy: -121.600 bonds (distance) P-C4' energy: -133.403 flat angles C4'-P-C4' energy: -122.245 flat angles P-C4'-P energy: -66.978 tors. eta vs tors. theta energy: -106.846 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: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1352.504162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.504162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.504162 (E_RNA) where: Base-Base interactions energy: -841.430 where: short stacking energy: -414.990 Base-Backbone interact. energy: 0.296 local terms energy: -511.369915 where: bonds (distance) C4'-P energy: -115.583 bonds (distance) P-C4' energy: -107.401 flat angles C4'-P-C4' energy: -115.262 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -89.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1303.602421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.602421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.602421 (E_RNA) where: Base-Base interactions energy: -819.525 where: short stacking energy: -381.755 Base-Backbone interact. energy: 1.564 local terms energy: -485.641660 where: bonds (distance) C4'-P energy: -108.736 bonds (distance) P-C4' energy: -105.816 flat angles C4'-P-C4' energy: -118.576 flat angles P-C4'-P energy: -72.819 tors. eta vs tors. theta energy: -79.695 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: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1109.126479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.126479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.126479 (E_RNA) where: Base-Base interactions energy: -651.391 where: short stacking energy: -326.001 Base-Backbone interact. energy: -1.505 local terms energy: -456.230139 where: bonds (distance) C4'-P energy: -118.275 bonds (distance) P-C4' energy: -121.355 flat angles C4'-P-C4' energy: -107.229 flat angles P-C4'-P energy: -62.174 tors. eta vs tors. theta energy: -47.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -836.156187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.156187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.156187 (E_RNA) where: Base-Base interactions energy: -435.377 where: short stacking energy: -242.563 Base-Backbone interact. energy: -2.157 local terms energy: -398.622946 where: bonds (distance) C4'-P energy: -97.670 bonds (distance) P-C4' energy: -111.645 flat angles C4'-P-C4' energy: -105.188 flat angles P-C4'-P energy: -67.307 tors. eta vs tors. theta energy: -16.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -741.220217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.220217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.220217 (E_RNA) where: Base-Base interactions energy: -362.558 where: short stacking energy: -233.303 Base-Backbone interact. energy: -5.486 local terms energy: -373.175988 where: bonds (distance) C4'-P energy: -94.494 bonds (distance) P-C4' energy: -111.847 flat angles C4'-P-C4' energy: -94.609 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -7.060 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: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -602.128477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.128477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.128477 (E_RNA) where: Base-Base interactions energy: -268.837 where: short stacking energy: -218.501 Base-Backbone interact. energy: -1.476 local terms energy: -331.815682 where: bonds (distance) C4'-P energy: -82.255 bonds (distance) P-C4' energy: -104.471 flat angles C4'-P-C4' energy: -90.410 flat angles P-C4'-P energy: -58.501 tors. eta vs tors. theta energy: 3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -492.383201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.383201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.383201 (E_RNA) where: Base-Base interactions energy: -165.261 where: short stacking energy: -120.365 Base-Backbone interact. energy: 1.909 local terms energy: -329.031101 where: bonds (distance) C4'-P energy: -100.228 bonds (distance) P-C4' energy: -102.842 flat angles C4'-P-C4' energy: -115.428 flat angles P-C4'-P energy: -38.432 tors. eta vs tors. theta energy: 27.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1800.429043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.429043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.429043 (E_RNA) where: Base-Base interactions energy: -1180.028 where: short stacking energy: -536.980 Base-Backbone interact. energy: 0.679 local terms energy: -621.080451 where: bonds (distance) C4'-P energy: -101.580 bonds (distance) P-C4' energy: -132.966 flat angles C4'-P-C4' energy: -150.927 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -143.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1698.418607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.418607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.418607 (E_RNA) where: Base-Base interactions energy: -1084.750 where: short stacking energy: -537.388 Base-Backbone interact. energy: -3.712 local terms energy: -609.956946 where: bonds (distance) C4'-P energy: -117.095 bonds (distance) P-C4' energy: -126.752 flat angles C4'-P-C4' energy: -133.821 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -148.846 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: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1530.443195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.443195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.443195 (E_RNA) where: Base-Base interactions energy: -996.325 where: short stacking energy: -482.187 Base-Backbone interact. energy: -2.822 local terms energy: -531.295923 where: bonds (distance) C4'-P energy: -105.879 bonds (distance) P-C4' energy: -123.160 flat angles C4'-P-C4' energy: -118.042 flat angles P-C4'-P energy: -67.375 tors. eta vs tors. theta energy: -116.840 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: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1350.449188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.449188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.449188 (E_RNA) where: Base-Base interactions energy: -841.620 where: short stacking energy: -428.803 Base-Backbone interact. energy: 2.327 local terms energy: -511.156310 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -113.586 flat angles C4'-P-C4' energy: -118.976 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -96.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1372.362968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.362968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.362968 (E_RNA) where: Base-Base interactions energy: -850.007 where: short stacking energy: -436.525 Base-Backbone interact. energy: -3.509 local terms energy: -518.846659 where: bonds (distance) C4'-P energy: -99.248 bonds (distance) P-C4' energy: -116.411 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -76.184 tors. eta vs tors. theta energy: -98.358 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: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1100.727484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.727484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.727484 (E_RNA) where: Base-Base interactions energy: -628.356 where: short stacking energy: -324.594 Base-Backbone interact. energy: -0.254 local terms energy: -472.117755 where: bonds (distance) C4'-P energy: -114.106 bonds (distance) P-C4' energy: -122.873 flat angles C4'-P-C4' energy: -118.862 flat angles P-C4'-P energy: -62.954 tors. eta vs tors. theta energy: -53.323 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: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -851.901661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.901661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.901661 (E_RNA) where: Base-Base interactions energy: -446.548 where: short stacking energy: -261.566 Base-Backbone interact. energy: 1.020 local terms energy: -406.374148 where: bonds (distance) C4'-P energy: -84.174 bonds (distance) P-C4' energy: -135.527 flat angles C4'-P-C4' energy: -104.271 flat angles P-C4'-P energy: -51.260 tors. eta vs tors. theta energy: -31.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -697.560352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.560352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.560352 (E_RNA) where: Base-Base interactions energy: -317.924 where: short stacking energy: -218.067 Base-Backbone interact. energy: -0.376 local terms energy: -379.260203 where: bonds (distance) C4'-P energy: -105.042 bonds (distance) P-C4' energy: -114.532 flat angles C4'-P-C4' energy: -98.653 flat angles P-C4'-P energy: -55.039 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -528.208228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.208228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.208228 (E_RNA) where: Base-Base interactions energy: -188.637 where: short stacking energy: -157.669 Base-Backbone interact. energy: 2.254 local terms energy: -341.825074 where: bonds (distance) C4'-P energy: -97.403 bonds (distance) P-C4' energy: -104.062 flat angles C4'-P-C4' energy: -94.466 flat angles P-C4'-P energy: -51.751 tors. eta vs tors. theta energy: 5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -502.060636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.060636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.060636 (E_RNA) where: Base-Base interactions energy: -158.088 where: short stacking energy: -146.240 Base-Backbone interact. energy: -1.230 local terms energy: -342.742758 where: bonds (distance) C4'-P energy: -114.879 bonds (distance) P-C4' energy: -99.653 flat angles C4'-P-C4' energy: -97.527 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: 26.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1794.656782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.656782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.656782 (E_RNA) where: Base-Base interactions energy: -1165.297 where: short stacking energy: -507.361 Base-Backbone interact. energy: -2.439 local terms energy: -626.921437 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -140.782 flat angles C4'-P-C4' energy: -131.338 flat angles P-C4'-P energy: -88.115 tors. eta vs tors. theta energy: -139.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1673.380389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.380389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.380389 (E_RNA) where: Base-Base interactions energy: -1061.094 where: short stacking energy: -527.444 Base-Backbone interact. energy: 2.829 local terms energy: -615.115202 where: bonds (distance) C4'-P energy: -130.887 bonds (distance) P-C4' energy: -134.391 flat angles C4'-P-C4' energy: -132.935 flat angles P-C4'-P energy: -81.836 tors. eta vs tors. theta energy: -135.066 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: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1570.049170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.049170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.049170 (E_RNA) where: Base-Base interactions energy: -1012.082 where: short stacking energy: -473.088 Base-Backbone interact. energy: -3.221 local terms energy: -554.746877 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -113.253 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -85.460 tors. eta vs tors. theta energy: -119.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1390.543660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.543660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.543660 (E_RNA) where: Base-Base interactions energy: -862.672 where: short stacking energy: -417.465 Base-Backbone interact. energy: -2.700 local terms energy: -525.172109 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -110.167 flat angles C4'-P-C4' energy: -126.586 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -101.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1418.296922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.296922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.296922 (E_RNA) where: Base-Base interactions energy: -874.625 where: short stacking energy: -452.383 Base-Backbone interact. energy: -0.443 local terms energy: -543.228443 where: bonds (distance) C4'-P energy: -116.004 bonds (distance) P-C4' energy: -124.770 flat angles C4'-P-C4' energy: -124.790 flat angles P-C4'-P energy: -70.605 tors. eta vs tors. theta energy: -107.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1128.505509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.505509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.505509 (E_RNA) where: Base-Base interactions energy: -682.522 where: short stacking energy: -367.173 Base-Backbone interact. energy: -0.169 local terms energy: -445.814298 where: bonds (distance) C4'-P energy: -76.439 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -131.745 flat angles P-C4'-P energy: -72.485 tors. eta vs tors. theta energy: -61.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -866.110724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.110724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.110724 (E_RNA) where: Base-Base interactions energy: -436.525 where: short stacking energy: -244.907 Base-Backbone interact. energy: -2.406 local terms energy: -427.180406 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -115.685 flat angles C4'-P-C4' energy: -116.944 flat angles P-C4'-P energy: -83.368 tors. eta vs tors. theta energy: -8.916 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: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -735.426661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.426661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.426661 (E_RNA) where: Base-Base interactions energy: -359.755 where: short stacking energy: -240.463 Base-Backbone interact. energy: 4.614 local terms energy: -380.285809 where: bonds (distance) C4'-P energy: -93.881 bonds (distance) P-C4' energy: -102.495 flat angles C4'-P-C4' energy: -112.065 flat angles P-C4'-P energy: -51.891 tors. eta vs tors. theta energy: -19.954 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: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -507.531370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.531370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.531370 (E_RNA) where: Base-Base interactions energy: -186.092 where: short stacking energy: -147.123 Base-Backbone interact. energy: 5.028 local terms energy: -326.468006 where: bonds (distance) C4'-P energy: -96.864 bonds (distance) P-C4' energy: -107.017 flat angles C4'-P-C4' energy: -86.709 flat angles P-C4'-P energy: -60.935 tors. eta vs tors. theta energy: 25.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -493.469006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.469006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.469006 (E_RNA) where: Base-Base interactions energy: -186.485 where: short stacking energy: -136.085 Base-Backbone interact. energy: 9.765 local terms energy: -316.748376 where: bonds (distance) C4'-P energy: -89.148 bonds (distance) P-C4' energy: -110.912 flat angles C4'-P-C4' energy: -105.473 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: 28.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1776.938972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.938972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.938972 (E_RNA) where: Base-Base interactions energy: -1142.701 where: short stacking energy: -517.931 Base-Backbone interact. energy: -2.848 local terms energy: -631.389938 where: bonds (distance) C4'-P energy: -125.023 bonds (distance) P-C4' energy: -143.687 flat angles C4'-P-C4' energy: -131.341 flat angles P-C4'-P energy: -86.558 tors. eta vs tors. theta energy: -144.781 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: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1666.461839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.461839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.461839 (E_RNA) where: Base-Base interactions energy: -1085.614 where: short stacking energy: -518.656 Base-Backbone interact. energy: -1.639 local terms energy: -579.209620 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -129.833 flat angles C4'-P-C4' energy: -125.973 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -133.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1587.363671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.363671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.363671 (E_RNA) where: Base-Base interactions energy: -1026.094 where: short stacking energy: -466.534 Base-Backbone interact. energy: -3.751 local terms energy: -557.518691 where: bonds (distance) C4'-P energy: -108.993 bonds (distance) P-C4' energy: -124.982 flat angles C4'-P-C4' energy: -126.800 flat angles P-C4'-P energy: -82.327 tors. eta vs tors. theta energy: -114.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1520.997154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.997154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.997154 (E_RNA) where: Base-Base interactions energy: -965.427 where: short stacking energy: -469.883 Base-Backbone interact. energy: -4.233 local terms energy: -551.336722 where: bonds (distance) C4'-P energy: -117.444 bonds (distance) P-C4' energy: -117.222 flat angles C4'-P-C4' energy: -124.874 flat angles P-C4'-P energy: -68.781 tors. eta vs tors. theta energy: -123.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1369.983260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.983260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.983260 (E_RNA) where: Base-Base interactions energy: -853.441 where: short stacking energy: -424.014 Base-Backbone interact. energy: 3.585 local terms energy: -520.127673 where: bonds (distance) C4'-P energy: -101.812 bonds (distance) P-C4' energy: -124.856 flat angles C4'-P-C4' energy: -117.161 flat angles P-C4'-P energy: -78.894 tors. eta vs tors. theta energy: -97.404 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: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1154.731744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.731744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.731744 (E_RNA) where: Base-Base interactions energy: -692.947 where: short stacking energy: -315.779 Base-Backbone interact. energy: 0.070 local terms energy: -461.854770 where: bonds (distance) C4'-P energy: -112.283 bonds (distance) P-C4' energy: -105.100 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -57.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -884.406844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.406844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.406844 (E_RNA) where: Base-Base interactions energy: -472.386 where: short stacking energy: -262.348 Base-Backbone interact. energy: -2.078 local terms energy: -409.942797 where: bonds (distance) C4'-P energy: -90.402 bonds (distance) P-C4' energy: -111.261 flat angles C4'-P-C4' energy: -118.069 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -27.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -689.715921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.715921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.715921 (E_RNA) where: Base-Base interactions energy: -335.529 where: short stacking energy: -209.044 Base-Backbone interact. energy: 4.565 local terms energy: -358.751825 where: bonds (distance) C4'-P energy: -97.752 bonds (distance) P-C4' energy: -120.374 flat angles C4'-P-C4' energy: -86.845 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -6.335 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: 2 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -537.830460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.830460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.830460 (E_RNA) where: Base-Base interactions energy: -239.604 where: short stacking energy: -166.699 Base-Backbone interact. energy: 2.252 local terms energy: -300.479287 where: bonds (distance) C4'-P energy: -79.968 bonds (distance) P-C4' energy: -99.397 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: 14.359 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: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -562.501759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.501759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.501759 (E_RNA) where: Base-Base interactions energy: -243.647 where: short stacking energy: -146.456 Base-Backbone interact. energy: 9.074 local terms energy: -327.929421 where: bonds (distance) C4'-P energy: -105.670 bonds (distance) P-C4' energy: -113.039 flat angles C4'-P-C4' energy: -87.843 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: 31.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1761.352837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.352837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.352837 (E_RNA) where: Base-Base interactions energy: -1145.783 where: short stacking energy: -520.664 Base-Backbone interact. energy: -2.576 local terms energy: -612.993780 where: bonds (distance) C4'-P energy: -128.359 bonds (distance) P-C4' energy: -125.656 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -76.010 tors. eta vs tors. theta energy: -145.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1699.664986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.664986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.664986 (E_RNA) where: Base-Base interactions energy: -1116.566 where: short stacking energy: -560.673 Base-Backbone interact. energy: -3.594 local terms energy: -579.504978 where: bonds (distance) C4'-P energy: -120.318 bonds (distance) P-C4' energy: -114.088 flat angles C4'-P-C4' energy: -134.028 flat angles P-C4'-P energy: -62.987 tors. eta vs tors. theta energy: -148.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1599.244429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.244429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.244429 (E_RNA) where: Base-Base interactions energy: -1024.641 where: short stacking energy: -502.498 Base-Backbone interact. energy: -2.520 local terms energy: -572.083347 where: bonds (distance) C4'-P energy: -121.892 bonds (distance) P-C4' energy: -121.334 flat angles C4'-P-C4' energy: -123.429 flat angles P-C4'-P energy: -80.594 tors. eta vs tors. theta energy: -124.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1572.158812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.158812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.158812 (E_RNA) where: Base-Base interactions energy: -993.780 where: short stacking energy: -497.148 Base-Backbone interact. energy: -2.963 local terms energy: -575.415915 where: bonds (distance) C4'-P energy: -108.132 bonds (distance) P-C4' energy: -123.082 flat angles C4'-P-C4' energy: -128.761 flat angles P-C4'-P energy: -82.647 tors. eta vs tors. theta energy: -132.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1396.624325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.624325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.624325 (E_RNA) where: Base-Base interactions energy: -865.652 where: short stacking energy: -424.340 Base-Backbone interact. energy: 1.432 local terms energy: -532.404738 where: bonds (distance) C4'-P energy: -117.934 bonds (distance) P-C4' energy: -122.089 flat angles C4'-P-C4' energy: -128.957 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -102.033 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: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1222.420843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.420843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.420843 (E_RNA) where: Base-Base interactions energy: -750.589 where: short stacking energy: -353.502 Base-Backbone interact. energy: -0.263 local terms energy: -471.568420 where: bonds (distance) C4'-P energy: -107.223 bonds (distance) P-C4' energy: -117.140 flat angles C4'-P-C4' energy: -110.654 flat angles P-C4'-P energy: -69.254 tors. eta vs tors. theta energy: -67.298 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: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -955.884024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.884024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.884024 (E_RNA) where: Base-Base interactions energy: -527.664 where: short stacking energy: -286.005 Base-Backbone interact. energy: -1.371 local terms energy: -426.849322 where: bonds (distance) C4'-P energy: -110.997 bonds (distance) P-C4' energy: -112.158 flat angles C4'-P-C4' energy: -91.064 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -35.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -693.376594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.376594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.376594 (E_RNA) where: Base-Base interactions energy: -307.112 where: short stacking energy: -204.816 Base-Backbone interact. energy: 1.351 local terms energy: -387.615461 where: bonds (distance) C4'-P energy: -119.302 bonds (distance) P-C4' energy: -107.994 flat angles C4'-P-C4' energy: -107.819 flat angles P-C4'-P energy: -40.855 tors. eta vs tors. theta energy: -11.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -586.339376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.339376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.339376 (E_RNA) where: Base-Base interactions energy: -235.292 where: short stacking energy: -158.715 Base-Backbone interact. energy: -0.025 local terms energy: -351.021558 where: bonds (distance) C4'-P energy: -115.656 bonds (distance) P-C4' energy: -113.747 flat angles C4'-P-C4' energy: -93.877 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: 13.892 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: 2 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -503.337971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.337971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.337971 (E_RNA) where: Base-Base interactions energy: -183.603 where: short stacking energy: -141.429 Base-Backbone interact. energy: -1.383 local terms energy: -318.352272 where: bonds (distance) C4'-P energy: -99.236 bonds (distance) P-C4' energy: -112.687 flat angles C4'-P-C4' energy: -72.999 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: 5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1730.932732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.932732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.932732 (E_RNA) where: Base-Base interactions energy: -1138.743 where: short stacking energy: -530.133 Base-Backbone interact. energy: -2.820 local terms energy: -589.369315 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -84.266 tors. eta vs tors. theta energy: -128.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1702.049244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.049244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.049244 (E_RNA) where: Base-Base interactions energy: -1090.728 where: short stacking energy: -538.629 Base-Backbone interact. energy: -3.574 local terms energy: -607.747450 where: bonds (distance) C4'-P energy: -123.959 bonds (distance) P-C4' energy: -141.396 flat angles C4'-P-C4' energy: -119.649 flat angles P-C4'-P energy: -84.685 tors. eta vs tors. theta energy: -138.059 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: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1613.835266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.835266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.835266 (E_RNA) where: Base-Base interactions energy: -1044.666 where: short stacking energy: -503.829 Base-Backbone interact. energy: 6.074 local terms energy: -575.243157 where: bonds (distance) C4'-P energy: -106.409 bonds (distance) P-C4' energy: -121.333 flat angles C4'-P-C4' energy: -132.078 flat angles P-C4'-P energy: -87.683 tors. eta vs tors. theta energy: -127.740 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: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1553.612925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.612925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.612925 (E_RNA) where: Base-Base interactions energy: -996.942 where: short stacking energy: -465.431 Base-Backbone interact. energy: -1.083 local terms energy: -555.588266 where: bonds (distance) C4'-P energy: -115.819 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -124.685 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: -122.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1390.214627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.214627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.214627 (E_RNA) where: Base-Base interactions energy: -849.563 where: short stacking energy: -415.644 Base-Backbone interact. energy: -0.732 local terms energy: -539.920285 where: bonds (distance) C4'-P energy: -125.474 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -118.275 flat angles P-C4'-P energy: -82.558 tors. eta vs tors. theta energy: -87.620 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: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1205.492111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.492111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.492111 (E_RNA) where: Base-Base interactions energy: -743.598 where: short stacking energy: -361.837 Base-Backbone interact. energy: -1.380 local terms energy: -460.514276 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -102.401 flat angles C4'-P-C4' energy: -119.453 flat angles P-C4'-P energy: -61.686 tors. eta vs tors. theta energy: -66.226 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: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -937.192774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.192774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.192774 (E_RNA) where: Base-Base interactions energy: -521.236 where: short stacking energy: -296.530 Base-Backbone interact. energy: -1.254 local terms energy: -414.702457 where: bonds (distance) C4'-P energy: -100.443 bonds (distance) P-C4' energy: -99.715 flat angles C4'-P-C4' energy: -102.468 flat angles P-C4'-P energy: -51.677 tors. eta vs tors. theta energy: -60.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -712.797941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.797941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.797941 (E_RNA) where: Base-Base interactions energy: -353.613 where: short stacking energy: -242.928 Base-Backbone interact. energy: 5.479 local terms energy: -364.663632 where: bonds (distance) C4'-P energy: -99.203 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -83.360 flat angles P-C4'-P energy: -63.195 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -584.250248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.250248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.250248 (E_RNA) where: Base-Base interactions energy: -226.965 where: short stacking energy: -177.603 Base-Backbone interact. energy: 5.032 local terms energy: -362.316741 where: bonds (distance) C4'-P energy: -98.136 bonds (distance) P-C4' energy: -113.351 flat angles C4'-P-C4' energy: -97.628 flat angles P-C4'-P energy: -69.199 tors. eta vs tors. theta energy: 15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -500.196762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.196762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.196762 (E_RNA) where: Base-Base interactions energy: -168.390 where: short stacking energy: -128.788 Base-Backbone interact. energy: 2.801 local terms energy: -334.608014 where: bonds (distance) C4'-P energy: -97.287 bonds (distance) P-C4' energy: -119.982 flat angles C4'-P-C4' energy: -94.323 flat angles P-C4'-P energy: -42.600 tors. eta vs tors. theta energy: 19.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1792.023383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.023383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.023383 (E_RNA) where: Base-Base interactions energy: -1142.849 where: short stacking energy: -552.408 Base-Backbone interact. energy: -4.909 local terms energy: -644.266041 where: bonds (distance) C4'-P energy: -140.343 bonds (distance) P-C4' energy: -130.957 flat angles C4'-P-C4' energy: -140.501 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -142.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1695.828656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.828656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.828656 (E_RNA) where: Base-Base interactions energy: -1085.082 where: short stacking energy: -502.675 Base-Backbone interact. energy: -0.275 local terms energy: -610.471900 where: bonds (distance) C4'-P energy: -131.259 bonds (distance) P-C4' energy: -121.945 flat angles C4'-P-C4' energy: -128.001 flat angles P-C4'-P energy: -92.255 tors. eta vs tors. theta energy: -137.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1603.025884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.025884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.025884 (E_RNA) where: Base-Base interactions energy: -1036.015 where: short stacking energy: -515.007 Base-Backbone interact. energy: -0.070 local terms energy: -566.941187 where: bonds (distance) C4'-P energy: -115.964 bonds (distance) P-C4' energy: -110.928 flat angles C4'-P-C4' energy: -136.934 flat angles P-C4'-P energy: -77.906 tors. eta vs tors. theta energy: -125.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1627.836567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.836567 (E_RNA) where: Base-Base interactions energy: -1044.333 where: short stacking energy: -483.846 Base-Backbone interact. energy: -2.160 local terms energy: -581.343221 where: bonds (distance) C4'-P energy: -121.349 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -132.752 flat angles P-C4'-P energy: -79.229 tors. eta vs tors. theta energy: -133.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1395.120344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.120344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.120344 (E_RNA) where: Base-Base interactions energy: -863.517 where: short stacking energy: -402.651 Base-Backbone interact. energy: -4.982 local terms energy: -526.621737 where: bonds (distance) C4'-P energy: -114.532 bonds (distance) P-C4' energy: -130.811 flat angles C4'-P-C4' energy: -126.160 flat angles P-C4'-P energy: -67.745 tors. eta vs tors. theta energy: -87.375 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: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1258.009272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.009272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.009272 (E_RNA) where: Base-Base interactions energy: -787.462 where: short stacking energy: -368.424 Base-Backbone interact. energy: 4.288 local terms energy: -474.835132 where: bonds (distance) C4'-P energy: -106.017 bonds (distance) P-C4' energy: -122.174 flat angles C4'-P-C4' energy: -108.358 flat angles P-C4'-P energy: -59.020 tors. eta vs tors. theta energy: -79.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -913.235733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.235733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.235733 (E_RNA) where: Base-Base interactions energy: -477.698 where: short stacking energy: -258.982 Base-Backbone interact. energy: -2.196 local terms energy: -433.341476 where: bonds (distance) C4'-P energy: -114.396 bonds (distance) P-C4' energy: -119.645 flat angles C4'-P-C4' energy: -109.731 flat angles P-C4'-P energy: -54.036 tors. eta vs tors. theta energy: -35.534 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: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -714.370511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.370511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.370511 (E_RNA) where: Base-Base interactions energy: -350.552 where: short stacking energy: -215.886 Base-Backbone interact. energy: 8.133 local terms energy: -371.951332 where: bonds (distance) C4'-P energy: -99.162 bonds (distance) P-C4' energy: -106.166 flat angles C4'-P-C4' energy: -103.297 flat angles P-C4'-P energy: -57.288 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -551.260781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.260781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.260781 (E_RNA) where: Base-Base interactions energy: -227.596 where: short stacking energy: -185.514 Base-Backbone interact. energy: -0.926 local terms energy: -322.738855 where: bonds (distance) C4'-P energy: -74.747 bonds (distance) P-C4' energy: -110.365 flat angles C4'-P-C4' energy: -91.891 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -466.917382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.917382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.917382 (E_RNA) where: Base-Base interactions energy: -184.959 where: short stacking energy: -155.540 Base-Backbone interact. energy: 4.442 local terms energy: -286.400243 where: bonds (distance) C4'-P energy: -98.240 bonds (distance) P-C4' energy: -101.637 flat angles C4'-P-C4' energy: -85.958 flat angles P-C4'-P energy: -33.228 tors. eta vs tors. theta energy: 32.663 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: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1797.675754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.675754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.675754 (E_RNA) where: Base-Base interactions energy: -1144.250 where: short stacking energy: -531.952 Base-Backbone interact. energy: -1.840 local terms energy: -651.586325 where: bonds (distance) C4'-P energy: -130.172 bonds (distance) P-C4' energy: -138.754 flat angles C4'-P-C4' energy: -135.422 flat angles P-C4'-P energy: -90.701 tors. eta vs tors. theta energy: -156.537 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: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1688.983002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.983002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.983002 (E_RNA) where: Base-Base interactions energy: -1114.645 where: short stacking energy: -498.590 Base-Backbone interact. energy: 3.084 local terms energy: -577.422011 where: bonds (distance) C4'-P energy: -114.969 bonds (distance) P-C4' energy: -123.243 flat angles C4'-P-C4' energy: -128.720 flat angles P-C4'-P energy: -80.458 tors. eta vs tors. theta energy: -130.032 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: 29 Temperature: 1.000000 Total energy: -1607.851399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.851399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.851399 (E_RNA) where: Base-Base interactions energy: -1026.581 where: short stacking energy: -503.603 Base-Backbone interact. energy: -3.387 local terms energy: -577.882491 where: bonds (distance) C4'-P energy: -120.323 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -81.468 tors. eta vs tors. theta energy: -132.479 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: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1641.638997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.638997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.638997 (E_RNA) where: Base-Base interactions energy: -1069.291 where: short stacking energy: -482.142 Base-Backbone interact. energy: -2.560 local terms energy: -569.787898 where: bonds (distance) C4'-P energy: -114.656 bonds (distance) P-C4' energy: -114.153 flat angles C4'-P-C4' energy: -135.312 flat angles P-C4'-P energy: -69.672 tors. eta vs tors. theta energy: -135.995 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: 6 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1404.519958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.519958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.519958 (E_RNA) where: Base-Base interactions energy: -881.946 where: short stacking energy: -401.295 Base-Backbone interact. energy: -1.962 local terms energy: -520.611956 where: bonds (distance) C4'-P energy: -108.837 bonds (distance) P-C4' energy: -127.003 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -86.008 tors. eta vs tors. theta energy: -78.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1264.673781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.673781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.673781 (E_RNA) where: Base-Base interactions energy: -792.181 where: short stacking energy: -386.338 Base-Backbone interact. energy: -2.399 local terms energy: -470.093975 where: bonds (distance) C4'-P energy: -102.919 bonds (distance) P-C4' energy: -108.925 flat angles C4'-P-C4' energy: -109.974 flat angles P-C4'-P energy: -82.857 tors. eta vs tors. theta energy: -65.418 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: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -922.297489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.297489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.297489 (E_RNA) where: Base-Base interactions energy: -499.247 where: short stacking energy: -284.164 Base-Backbone interact. energy: -2.739 local terms energy: -420.311220 where: bonds (distance) C4'-P energy: -101.225 bonds (distance) P-C4' energy: -121.530 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -47.659 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: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -754.200197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.200197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.200197 (E_RNA) where: Base-Base interactions energy: -392.336 where: short stacking energy: -209.750 Base-Backbone interact. energy: -2.064 local terms energy: -359.800328 where: bonds (distance) C4'-P energy: -116.213 bonds (distance) P-C4' energy: -113.392 flat angles C4'-P-C4' energy: -87.372 flat angles P-C4'-P energy: -39.343 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -568.882863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.882863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.882863 (E_RNA) where: Base-Base interactions energy: -210.195 where: short stacking energy: -182.569 Base-Backbone interact. energy: -2.262 local terms energy: -356.425841 where: bonds (distance) C4'-P energy: -118.740 bonds (distance) P-C4' energy: -99.292 flat angles C4'-P-C4' energy: -80.127 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -489.461974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.461974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.461974 (E_RNA) where: Base-Base interactions energy: -145.202 where: short stacking energy: -121.539 Base-Backbone interact. energy: -0.310 local terms energy: -343.949145 where: bonds (distance) C4'-P energy: -97.808 bonds (distance) P-C4' energy: -98.356 flat angles C4'-P-C4' energy: -108.775 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: 27.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1813.758948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.758948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.758948 (E_RNA) where: Base-Base interactions energy: -1152.942 where: short stacking energy: -541.679 Base-Backbone interact. energy: 0.744 local terms energy: -661.561748 where: bonds (distance) C4'-P energy: -134.777 bonds (distance) P-C4' energy: -137.908 flat angles C4'-P-C4' energy: -143.744 flat angles P-C4'-P energy: -86.810 tors. eta vs tors. theta energy: -158.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1695.787338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.787338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.787338 (E_RNA) where: Base-Base interactions energy: -1127.201 where: short stacking energy: -530.711 Base-Backbone interact. energy: 0.725 local terms energy: -569.311978 where: bonds (distance) C4'-P energy: -113.930 bonds (distance) P-C4' energy: -114.799 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -128.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1613.462879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.462879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.462879 (E_RNA) where: Base-Base interactions energy: -1017.588 where: short stacking energy: -474.591 Base-Backbone interact. energy: -1.519 local terms energy: -594.356173 where: bonds (distance) C4'-P energy: -125.679 bonds (distance) P-C4' energy: -135.097 flat angles C4'-P-C4' energy: -130.735 flat angles P-C4'-P energy: -76.251 tors. eta vs tors. theta energy: -126.595 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: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1696.704955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.704955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.704955 (E_RNA) where: Base-Base interactions energy: -1114.417 where: short stacking energy: -529.234 Base-Backbone interact. energy: -3.254 local terms energy: -579.033738 where: bonds (distance) C4'-P energy: -110.215 bonds (distance) P-C4' energy: -111.775 flat angles C4'-P-C4' energy: -128.158 flat angles P-C4'-P energy: -88.431 tors. eta vs tors. theta energy: -140.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1442.232110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.232110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.232110 (E_RNA) where: Base-Base interactions energy: -919.669 where: short stacking energy: -419.605 Base-Backbone interact. energy: 1.994 local terms energy: -524.557390 where: bonds (distance) C4'-P energy: -123.219 bonds (distance) P-C4' energy: -121.653 flat angles C4'-P-C4' energy: -109.093 flat angles P-C4'-P energy: -68.617 tors. eta vs tors. theta energy: -101.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1329.021040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.021040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.021040 (E_RNA) where: Base-Base interactions energy: -853.211 where: short stacking energy: -379.838 Base-Backbone interact. energy: -1.826 local terms energy: -473.983833 where: bonds (distance) C4'-P energy: -111.566 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -72.228 tors. eta vs tors. theta energy: -66.319 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: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -889.887057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.887057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.887057 (E_RNA) where: Base-Base interactions energy: -466.979 where: short stacking energy: -286.556 Base-Backbone interact. energy: -2.830 local terms energy: -420.077934 where: bonds (distance) C4'-P energy: -95.488 bonds (distance) P-C4' energy: -115.331 flat angles C4'-P-C4' energy: -115.956 flat angles P-C4'-P energy: -62.030 tors. eta vs tors. theta energy: -31.273 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: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -809.679507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.679507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.679507 (E_RNA) where: Base-Base interactions energy: -411.446 where: short stacking energy: -249.238 Base-Backbone interact. energy: 1.646 local terms energy: -399.878995 where: bonds (distance) C4'-P energy: -123.731 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -96.950 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -549.428697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.428697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.428697 (E_RNA) where: Base-Base interactions energy: -189.955 where: short stacking energy: -152.870 Base-Backbone interact. energy: -0.580 local terms energy: -358.893652 where: bonds (distance) C4'-P energy: -91.981 bonds (distance) P-C4' energy: -121.149 flat angles C4'-P-C4' energy: -95.929 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: 4.130 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: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -504.692182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.692182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.692182 (E_RNA) where: Base-Base interactions energy: -167.153 where: short stacking energy: -152.744 Base-Backbone interact. energy: 2.563 local terms energy: -340.101730 where: bonds (distance) C4'-P energy: -101.087 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -83.027 flat angles P-C4'-P energy: -72.831 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: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1832.848319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.848319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.848319 (E_RNA) where: Base-Base interactions energy: -1206.359 where: short stacking energy: -518.480 Base-Backbone interact. energy: -1.966 local terms energy: -624.523397 where: bonds (distance) C4'-P energy: -133.928 bonds (distance) P-C4' energy: -122.568 flat angles C4'-P-C4' energy: -138.494 flat angles P-C4'-P energy: -87.263 tors. eta vs tors. theta energy: -142.271 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: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1658.413397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.413397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.413397 (E_RNA) where: Base-Base interactions energy: -1045.787 where: short stacking energy: -514.128 Base-Backbone interact. energy: -3.030 local terms energy: -609.597084 where: bonds (distance) C4'-P energy: -120.102 bonds (distance) P-C4' energy: -115.792 flat angles C4'-P-C4' energy: -135.766 flat angles P-C4'-P energy: -96.666 tors. eta vs tors. theta energy: -141.271 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: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1603.686200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.686200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.686200 (E_RNA) where: Base-Base interactions energy: -998.265 where: short stacking energy: -509.950 Base-Backbone interact. energy: 0.268 local terms energy: -605.689165 where: bonds (distance) C4'-P energy: -115.077 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -135.779 flat angles P-C4'-P energy: -86.502 tors. eta vs tors. theta energy: -132.600 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: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1734.172035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.172035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.172035 (E_RNA) where: Base-Base interactions energy: -1142.155 where: short stacking energy: -539.988 Base-Backbone interact. energy: -2.789 local terms energy: -589.227453 where: bonds (distance) C4'-P energy: -108.036 bonds (distance) P-C4' energy: -114.750 flat angles C4'-P-C4' energy: -129.522 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: -155.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1458.209278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.209278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.209278 (E_RNA) where: Base-Base interactions energy: -911.276 where: short stacking energy: -444.695 Base-Backbone interact. energy: -1.395 local terms energy: -545.538770 where: bonds (distance) C4'-P energy: -113.356 bonds (distance) P-C4' energy: -109.331 flat angles C4'-P-C4' energy: -121.927 flat angles P-C4'-P energy: -84.103 tors. eta vs tors. theta energy: -116.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1385.743524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.743524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.743524 (E_RNA) where: Base-Base interactions energy: -891.929 where: short stacking energy: -400.930 Base-Backbone interact. energy: -2.462 local terms energy: -491.352569 where: bonds (distance) C4'-P energy: -113.535 bonds (distance) P-C4' energy: -104.842 flat angles C4'-P-C4' energy: -110.750 flat angles P-C4'-P energy: -73.022 tors. eta vs tors. theta energy: -89.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -951.385741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.385741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.385741 (E_RNA) where: Base-Base interactions energy: -534.827 where: short stacking energy: -281.647 Base-Backbone interact. energy: -2.612 local terms energy: -413.946407 where: bonds (distance) C4'-P energy: -91.096 bonds (distance) P-C4' energy: -112.107 flat angles C4'-P-C4' energy: -100.779 flat angles P-C4'-P energy: -69.546 tors. eta vs tors. theta energy: -40.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -853.646370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.646370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.646370 (E_RNA) where: Base-Base interactions energy: -482.142 where: short stacking energy: -247.730 Base-Backbone interact. energy: 0.239 local terms energy: -371.742482 where: bonds (distance) C4'-P energy: -96.462 bonds (distance) P-C4' energy: -116.467 flat angles C4'-P-C4' energy: -69.013 flat angles P-C4'-P energy: -61.508 tors. eta vs tors. theta energy: -28.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -563.935852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.935852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.935852 (E_RNA) where: Base-Base interactions energy: -226.255 where: short stacking energy: -178.794 Base-Backbone interact. energy: 1.836 local terms energy: -339.516799 where: bonds (distance) C4'-P energy: -90.809 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -108.967 flat angles P-C4'-P energy: -38.944 tors. eta vs tors. theta energy: 11.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -491.068863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.068863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.068863 (E_RNA) where: Base-Base interactions energy: -159.581 where: short stacking energy: -140.140 Base-Backbone interact. energy: -3.497 local terms energy: -327.991054 where: bonds (distance) C4'-P energy: -106.714 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -80.807 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: 11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1844.445915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.445915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.445915 (E_RNA) where: Base-Base interactions energy: -1239.771 where: short stacking energy: -544.830 Base-Backbone interact. energy: -2.576 local terms energy: -602.098650 where: bonds (distance) C4'-P energy: -121.091 bonds (distance) P-C4' energy: -112.022 flat angles C4'-P-C4' energy: -137.937 flat angles P-C4'-P energy: -85.413 tors. eta vs tors. theta energy: -145.637 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: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1657.177487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.177487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.177487 (E_RNA) where: Base-Base interactions energy: -1061.908 where: short stacking energy: -505.637 Base-Backbone interact. energy: -1.615 local terms energy: -593.653957 where: bonds (distance) C4'-P energy: -128.478 bonds (distance) P-C4' energy: -118.670 flat angles C4'-P-C4' energy: -130.080 flat angles P-C4'-P energy: -82.084 tors. eta vs tors. theta energy: -134.341 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: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1761.870027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.870027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.870027 (E_RNA) where: Base-Base interactions energy: -1159.806 where: short stacking energy: -541.639 Base-Backbone interact. energy: 2.270 local terms energy: -604.334267 where: bonds (distance) C4'-P energy: -123.999 bonds (distance) P-C4' energy: -104.685 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -84.444 tors. eta vs tors. theta energy: -149.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1497.602871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.602871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.602871 (E_RNA) where: Base-Base interactions energy: -946.849 where: short stacking energy: -463.964 Base-Backbone interact. energy: 0.209 local terms energy: -550.963061 where: bonds (distance) C4'-P energy: -100.219 bonds (distance) P-C4' energy: -114.348 flat angles C4'-P-C4' energy: -133.637 flat angles P-C4'-P energy: -70.319 tors. eta vs tors. theta energy: -132.441 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: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1454.177790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.177790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.177790 (E_RNA) where: Base-Base interactions energy: -965.656 where: short stacking energy: -413.404 Base-Backbone interact. energy: -2.440 local terms energy: -486.081879 where: bonds (distance) C4'-P energy: -109.741 bonds (distance) P-C4' energy: -114.438 flat angles C4'-P-C4' energy: -108.151 flat angles P-C4'-P energy: -65.317 tors. eta vs tors. theta energy: -88.435 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: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1403.081740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.081740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.081740 (E_RNA) where: Base-Base interactions energy: -880.412 where: short stacking energy: -425.760 Base-Backbone interact. energy: 2.362 local terms energy: -525.032083 where: bonds (distance) C4'-P energy: -108.313 bonds (distance) P-C4' energy: -126.704 flat angles C4'-P-C4' energy: -116.687 flat angles P-C4'-P energy: -62.729 tors. eta vs tors. theta energy: -110.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -901.437871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.437871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.437871 (E_RNA) where: Base-Base interactions energy: -486.760 where: short stacking energy: -265.323 Base-Backbone interact. energy: 2.829 local terms energy: -417.506014 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -112.677 flat angles C4'-P-C4' energy: -100.886 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -27.163 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: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -865.985666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.985666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.985666 (E_RNA) where: Base-Base interactions energy: -492.648 where: short stacking energy: -255.457 Base-Backbone interact. energy: -0.935 local terms energy: -372.402240 where: bonds (distance) C4'-P energy: -98.905 bonds (distance) P-C4' energy: -115.118 flat angles C4'-P-C4' energy: -83.328 flat angles P-C4'-P energy: -61.782 tors. eta vs tors. theta energy: -13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -657.096438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.096438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.096438 (E_RNA) where: Base-Base interactions energy: -306.712 where: short stacking energy: -204.098 Base-Backbone interact. energy: 2.759 local terms energy: -353.143919 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -103.689 flat angles C4'-P-C4' energy: -90.882 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: 6.696 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: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -496.293119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.293119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.293119 (E_RNA) where: Base-Base interactions energy: -177.412 where: short stacking energy: -115.376 Base-Backbone interact. energy: 4.363 local terms energy: -323.244680 where: bonds (distance) C4'-P energy: -93.027 bonds (distance) P-C4' energy: -111.789 flat angles C4'-P-C4' energy: -87.459 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: 19.231 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1807.306655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.306655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.306655 (E_RNA) where: Base-Base interactions energy: -1165.227 where: short stacking energy: -518.907 Base-Backbone interact. energy: -3.297 local terms energy: -638.782047 where: bonds (distance) C4'-P energy: -136.255 bonds (distance) P-C4' energy: -125.670 flat angles C4'-P-C4' energy: -135.502 flat angles P-C4'-P energy: -91.347 tors. eta vs tors. theta energy: -150.008 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: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1805.500760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.500760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.500760 (E_RNA) where: Base-Base interactions energy: -1170.819 where: short stacking energy: -540.983 Base-Backbone interact. energy: -4.847 local terms energy: -629.834943 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -126.220 flat angles C4'-P-C4' energy: -133.939 flat angles P-C4'-P energy: -92.271 tors. eta vs tors. theta energy: -156.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1585.193144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.193144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.193144 (E_RNA) where: Base-Base interactions energy: -1007.131 where: short stacking energy: -472.595 Base-Backbone interact. energy: -3.467 local terms energy: -574.594322 where: bonds (distance) C4'-P energy: -120.404 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -74.693 tors. eta vs tors. theta energy: -114.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1562.089597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.089597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.089597 (E_RNA) where: Base-Base interactions energy: -1001.732 where: short stacking energy: -474.825 Base-Backbone interact. energy: 2.456 local terms energy: -562.814372 where: bonds (distance) C4'-P energy: -116.135 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -115.135 flat angles P-C4'-P energy: -85.498 tors. eta vs tors. theta energy: -117.614 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: 33 Temperature: 1.100000 Total energy: -1465.402305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.402305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.402305 (E_RNA) where: Base-Base interactions energy: -940.628 where: short stacking energy: -427.371 Base-Backbone interact. energy: -2.356 local terms energy: -522.418204 where: bonds (distance) C4'-P energy: -99.576 bonds (distance) P-C4' energy: -116.522 flat angles C4'-P-C4' energy: -132.624 flat angles P-C4'-P energy: -85.610 tors. eta vs tors. theta energy: -88.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1385.605189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.605189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.605189 (E_RNA) where: Base-Base interactions energy: -867.612 where: short stacking energy: -423.862 Base-Backbone interact. energy: 0.719 local terms energy: -518.712577 where: bonds (distance) C4'-P energy: -101.484 bonds (distance) P-C4' energy: -105.318 flat angles C4'-P-C4' energy: -117.813 flat angles P-C4'-P energy: -78.898 tors. eta vs tors. theta energy: -115.200 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -969.278694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.278694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.278694 (E_RNA) where: Base-Base interactions energy: -558.902 where: short stacking energy: -284.042 Base-Backbone interact. energy: 0.210 local terms energy: -410.586183 where: bonds (distance) C4'-P energy: -119.560 bonds (distance) P-C4' energy: -98.215 flat angles C4'-P-C4' energy: -100.834 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: -30.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -867.521543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.521543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.521543 (E_RNA) where: Base-Base interactions energy: -503.564 where: short stacking energy: -278.763 Base-Backbone interact. energy: 1.072 local terms energy: -365.029374 where: bonds (distance) C4'-P energy: -108.434 bonds (distance) P-C4' energy: -89.222 flat angles C4'-P-C4' energy: -92.407 flat angles P-C4'-P energy: -44.708 tors. eta vs tors. theta energy: -30.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -556.402633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.402633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.402633 (E_RNA) where: Base-Base interactions energy: -184.305 where: short stacking energy: -146.627 Base-Backbone interact. energy: -0.148 local terms energy: -371.949204 where: bonds (distance) C4'-P energy: -99.482 bonds (distance) P-C4' energy: -118.002 flat angles C4'-P-C4' energy: -89.586 flat angles P-C4'-P energy: -66.589 tors. eta vs tors. theta energy: 1.710 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -502.700975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.700975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.700975 (E_RNA) where: Base-Base interactions energy: -171.575 where: short stacking energy: -152.298 Base-Backbone interact. energy: -0.082 local terms energy: -331.044058 where: bonds (distance) C4'-P energy: -98.394 bonds (distance) P-C4' energy: -113.695 flat angles C4'-P-C4' energy: -80.383 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: 13.838 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: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1888.121499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.121499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.121499 (E_RNA) where: Base-Base interactions energy: -1242.350 where: short stacking energy: -565.281 Base-Backbone interact. energy: -2.297 local terms energy: -643.474182 where: bonds (distance) C4'-P energy: -132.226 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -138.902 flat angles P-C4'-P energy: -88.897 tors. eta vs tors. theta energy: -160.201 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: 34 Temperature: 0.950000 Total energy: -1755.524545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.524545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.524545 (E_RNA) where: Base-Base interactions energy: -1145.671 where: short stacking energy: -535.239 Base-Backbone interact. energy: -4.492 local terms energy: -605.360923 where: bonds (distance) C4'-P energy: -109.852 bonds (distance) P-C4' energy: -126.067 flat angles C4'-P-C4' energy: -141.416 flat angles P-C4'-P energy: -84.686 tors. eta vs tors. theta energy: -143.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1531.349383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.349383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.349383 (E_RNA) where: Base-Base interactions energy: -978.486 where: short stacking energy: -437.024 Base-Backbone interact. energy: -4.118 local terms energy: -548.745335 where: bonds (distance) C4'-P energy: -107.712 bonds (distance) P-C4' energy: -120.603 flat angles C4'-P-C4' energy: -119.015 flat angles P-C4'-P energy: -82.644 tors. eta vs tors. theta energy: -118.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1524.899841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.899841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.899841 (E_RNA) where: Base-Base interactions energy: -985.503 where: short stacking energy: -459.799 Base-Backbone interact. energy: -0.674 local terms energy: -538.722752 where: bonds (distance) C4'-P energy: -109.193 bonds (distance) P-C4' energy: -121.520 flat angles C4'-P-C4' energy: -130.773 flat angles P-C4'-P energy: -78.398 tors. eta vs tors. theta energy: -98.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1470.665112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.665112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.665112 (E_RNA) where: Base-Base interactions energy: -955.245 where: short stacking energy: -455.559 Base-Backbone interact. energy: -1.651 local terms energy: -513.769476 where: bonds (distance) C4'-P energy: -104.608 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -104.752 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -110.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1392.907030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.907030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.907030 (E_RNA) where: Base-Base interactions energy: -903.067 where: short stacking energy: -427.937 Base-Backbone interact. energy: 2.030 local terms energy: -491.869870 where: bonds (distance) C4'-P energy: -103.548 bonds (distance) P-C4' energy: -104.321 flat angles C4'-P-C4' energy: -112.905 flat angles P-C4'-P energy: -69.156 tors. eta vs tors. theta energy: -101.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -937.475586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.475586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.475586 (E_RNA) where: Base-Base interactions energy: -529.409 where: short stacking energy: -260.594 Base-Backbone interact. energy: 0.814 local terms energy: -408.880669 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -83.319 flat angles C4'-P-C4' energy: -112.233 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -23.560 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: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -878.587616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.587616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.587616 (E_RNA) where: Base-Base interactions energy: -457.138 where: short stacking energy: -260.424 Base-Backbone interact. energy: -1.226 local terms energy: -420.223061 where: bonds (distance) C4'-P energy: -106.255 bonds (distance) P-C4' energy: -116.824 flat angles C4'-P-C4' energy: -103.432 flat angles P-C4'-P energy: -72.002 tors. eta vs tors. theta energy: -21.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -576.816800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.816800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.816800 (E_RNA) where: Base-Base interactions energy: -211.497 where: short stacking energy: -185.053 Base-Backbone interact. energy: -1.182 local terms energy: -364.137566 where: bonds (distance) C4'-P energy: -104.873 bonds (distance) P-C4' energy: -109.556 flat angles C4'-P-C4' energy: -100.870 flat angles P-C4'-P energy: -51.396 tors. eta vs tors. theta energy: 2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -471.270470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.270470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.270470 (E_RNA) where: Base-Base interactions energy: -168.625 where: short stacking energy: -149.526 Base-Backbone interact. energy: 2.130 local terms energy: -304.775714 where: bonds (distance) C4'-P energy: -87.463 bonds (distance) P-C4' energy: -104.808 flat angles C4'-P-C4' energy: -76.518 flat angles P-C4'-P energy: -59.809 tors. eta vs tors. theta energy: 23.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1923.266073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.266073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.266073 (E_RNA) where: Base-Base interactions energy: -1255.786 where: short stacking energy: -594.819 Base-Backbone interact. energy: -3.811 local terms energy: -663.669093 where: bonds (distance) C4'-P energy: -136.822 bonds (distance) P-C4' energy: -129.939 flat angles C4'-P-C4' energy: -140.211 flat angles P-C4'-P energy: -93.433 tors. eta vs tors. theta energy: -163.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1735.447272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.447272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.447272 (E_RNA) where: Base-Base interactions energy: -1137.310 where: short stacking energy: -496.737 Base-Backbone interact. energy: -4.608 local terms energy: -593.529929 where: bonds (distance) C4'-P energy: -116.284 bonds (distance) P-C4' energy: -133.478 flat angles C4'-P-C4' energy: -136.088 flat angles P-C4'-P energy: -82.777 tors. eta vs tors. theta energy: -124.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1570.764440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.764440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.764440 (E_RNA) where: Base-Base interactions energy: -1015.935 where: short stacking energy: -491.881 Base-Backbone interact. energy: -1.105 local terms energy: -553.725284 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -116.783 flat angles C4'-P-C4' energy: -137.723 flat angles P-C4'-P energy: -82.562 tors. eta vs tors. theta energy: -123.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1583.758524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.758524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.758524 (E_RNA) where: Base-Base interactions energy: -1014.628 where: short stacking energy: -462.770 Base-Backbone interact. energy: -0.602 local terms energy: -568.528688 where: bonds (distance) C4'-P energy: -113.289 bonds (distance) P-C4' energy: -115.626 flat angles C4'-P-C4' energy: -131.823 flat angles P-C4'-P energy: -95.941 tors. eta vs tors. theta energy: -111.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1443.789913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.789913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.789913 (E_RNA) where: Base-Base interactions energy: -900.803 where: short stacking energy: -436.439 Base-Backbone interact. energy: -2.753 local terms energy: -540.233734 where: bonds (distance) C4'-P energy: -127.502 bonds (distance) P-C4' energy: -116.530 flat angles C4'-P-C4' energy: -115.423 flat angles P-C4'-P energy: -69.851 tors. eta vs tors. theta energy: -110.928 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: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1352.321122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.321122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.321122 (E_RNA) where: Base-Base interactions energy: -851.266 where: short stacking energy: -380.302 Base-Backbone interact. energy: 1.669 local terms energy: -502.723389 where: bonds (distance) C4'-P energy: -109.726 bonds (distance) P-C4' energy: -126.735 flat angles C4'-P-C4' energy: -102.549 flat angles P-C4'-P energy: -71.849 tors. eta vs tors. theta energy: -91.865 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: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -969.931488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.931488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.931488 (E_RNA) where: Base-Base interactions energy: -520.399 where: short stacking energy: -281.921 Base-Backbone interact. energy: -0.348 local terms energy: -449.184466 where: bonds (distance) C4'-P energy: -112.298 bonds (distance) P-C4' energy: -133.664 flat angles C4'-P-C4' energy: -104.476 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: -38.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -903.327034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.327034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.327034 (E_RNA) where: Base-Base interactions energy: -496.302 where: short stacking energy: -291.096 Base-Backbone interact. energy: -1.042 local terms energy: -405.982320 where: bonds (distance) C4'-P energy: -94.592 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -109.254 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -34.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -606.388437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.388437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.388437 (E_RNA) where: Base-Base interactions energy: -265.252 where: short stacking energy: -167.201 Base-Backbone interact. energy: 6.613 local terms energy: -347.748747 where: bonds (distance) C4'-P energy: -101.259 bonds (distance) P-C4' energy: -111.042 flat angles C4'-P-C4' energy: -98.465 flat angles P-C4'-P energy: -45.364 tors. eta vs tors. theta energy: 8.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -485.969947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.969947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.969947 (E_RNA) where: Base-Base interactions energy: -155.123 where: short stacking energy: -108.810 Base-Backbone interact. energy: 0.027 local terms energy: -330.874337 where: bonds (distance) C4'-P energy: -126.631 bonds (distance) P-C4' energy: -100.122 flat angles C4'-P-C4' energy: -94.095 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: 22.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1929.686323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.686323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.686323 (E_RNA) where: Base-Base interactions energy: -1283.699 where: short stacking energy: -597.609 Base-Backbone interact. energy: -3.772 local terms energy: -642.215263 where: bonds (distance) C4'-P energy: -121.137 bonds (distance) P-C4' energy: -136.039 flat angles C4'-P-C4' energy: -143.451 flat angles P-C4'-P energy: -83.413 tors. eta vs tors. theta energy: -158.175 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: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1760.511893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.511893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.511893 (E_RNA) where: Base-Base interactions energy: -1182.533 where: short stacking energy: -536.336 Base-Backbone interact. energy: -0.631 local terms energy: -577.348011 where: bonds (distance) C4'-P energy: -123.739 bonds (distance) P-C4' energy: -102.463 flat angles C4'-P-C4' energy: -131.793 flat angles P-C4'-P energy: -72.227 tors. eta vs tors. theta energy: -147.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1702.957310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.957310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.957310 (E_RNA) where: Base-Base interactions energy: -1137.562 where: short stacking energy: -506.697 Base-Backbone interact. energy: -1.798 local terms energy: -563.596834 where: bonds (distance) C4'-P energy: -118.674 bonds (distance) P-C4' energy: -120.310 flat angles C4'-P-C4' energy: -122.510 flat angles P-C4'-P energy: -81.480 tors. eta vs tors. theta energy: -120.623 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: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1504.405157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.405157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.405157 (E_RNA) where: Base-Base interactions energy: -968.349 where: short stacking energy: -447.355 Base-Backbone interact. energy: -5.075 local terms energy: -530.981599 where: bonds (distance) C4'-P energy: -112.996 bonds (distance) P-C4' energy: -116.686 flat angles C4'-P-C4' energy: -115.772 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -108.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1496.159846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.159846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.159846 (E_RNA) where: Base-Base interactions energy: -954.287 where: short stacking energy: -426.913 Base-Backbone interact. energy: -5.808 local terms energy: -536.065081 where: bonds (distance) C4'-P energy: -102.073 bonds (distance) P-C4' energy: -125.960 flat angles C4'-P-C4' energy: -125.642 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -104.181 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1317.985732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.985732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.985732 (E_RNA) where: Base-Base interactions energy: -793.972 where: short stacking energy: -369.032 Base-Backbone interact. energy: 3.055 local terms energy: -527.068487 where: bonds (distance) C4'-P energy: -110.472 bonds (distance) P-C4' energy: -126.363 flat angles C4'-P-C4' energy: -118.454 flat angles P-C4'-P energy: -80.107 tors. eta vs tors. theta energy: -91.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -983.921174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.921174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.921174 (E_RNA) where: Base-Base interactions energy: -546.962 where: short stacking energy: -331.741 Base-Backbone interact. energy: -1.997 local terms energy: -434.962649 where: bonds (distance) C4'-P energy: -112.146 bonds (distance) P-C4' energy: -98.439 flat angles C4'-P-C4' energy: -96.728 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -58.246 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: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -807.886151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.886151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.886151 (E_RNA) where: Base-Base interactions energy: -422.760 where: short stacking energy: -257.198 Base-Backbone interact. energy: -1.891 local terms energy: -383.234260 where: bonds (distance) C4'-P energy: -94.084 bonds (distance) P-C4' energy: -105.485 flat angles C4'-P-C4' energy: -103.063 flat angles P-C4'-P energy: -48.928 tors. eta vs tors. theta energy: -31.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -576.837375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.837375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.837375 (E_RNA) where: Base-Base interactions energy: -240.934 where: short stacking energy: -183.697 Base-Backbone interact. energy: 1.585 local terms energy: -337.487887 where: bonds (distance) C4'-P energy: -117.640 bonds (distance) P-C4' energy: -98.790 flat angles C4'-P-C4' energy: -97.687 flat angles P-C4'-P energy: -42.978 tors. eta vs tors. theta energy: 19.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -587.761446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.761446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.761446 (E_RNA) where: Base-Base interactions energy: -268.090 where: short stacking energy: -139.051 Base-Backbone interact. energy: -0.448 local terms energy: -319.223881 where: bonds (distance) C4'-P energy: -111.705 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -76.330 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: 19.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1958.261850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.261850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.261850 (E_RNA) where: Base-Base interactions energy: -1310.025 where: short stacking energy: -592.870 Base-Backbone interact. energy: -0.159 local terms energy: -648.078135 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -122.428 flat angles C4'-P-C4' energy: -140.595 flat angles P-C4'-P energy: -94.377 tors. eta vs tors. theta energy: -165.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1767.436106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.436106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.436106 (E_RNA) where: Base-Base interactions energy: -1150.607 where: short stacking energy: -494.239 Base-Backbone interact. energy: -2.632 local terms energy: -614.196693 where: bonds (distance) C4'-P energy: -127.537 bonds (distance) P-C4' energy: -133.431 flat angles C4'-P-C4' energy: -139.198 flat angles P-C4'-P energy: -84.658 tors. eta vs tors. theta energy: -129.373 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: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1690.790684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.790684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.790684 (E_RNA) where: Base-Base interactions energy: -1101.110 where: short stacking energy: -493.001 Base-Backbone interact. energy: -0.181 local terms energy: -589.499940 where: bonds (distance) C4'-P energy: -128.918 bonds (distance) P-C4' energy: -127.202 flat angles C4'-P-C4' energy: -117.833 flat angles P-C4'-P energy: -78.186 tors. eta vs tors. theta energy: -137.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1526.270879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.270879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.270879 (E_RNA) where: Base-Base interactions energy: -996.295 where: short stacking energy: -456.899 Base-Backbone interact. energy: -2.432 local terms energy: -527.543833 where: bonds (distance) C4'-P energy: -117.182 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -108.897 flat angles P-C4'-P energy: -67.318 tors. eta vs tors. theta energy: -115.960 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: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1442.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.297726 (E_RNA) where: Base-Base interactions energy: -946.866 where: short stacking energy: -407.676 Base-Backbone interact. energy: -2.117 local terms energy: -493.315204 where: bonds (distance) C4'-P energy: -104.487 bonds (distance) P-C4' energy: -112.350 flat angles C4'-P-C4' energy: -107.687 flat angles P-C4'-P energy: -72.384 tors. eta vs tors. theta energy: -96.407 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: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1305.824441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.824441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.824441 (E_RNA) where: Base-Base interactions energy: -817.765 where: short stacking energy: -395.084 Base-Backbone interact. energy: 4.555 local terms energy: -492.614575 where: bonds (distance) C4'-P energy: -119.032 bonds (distance) P-C4' energy: -123.964 flat angles C4'-P-C4' energy: -114.957 flat angles P-C4'-P energy: -66.412 tors. eta vs tors. theta energy: -68.248 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: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -923.216373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.216373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.216373 (E_RNA) where: Base-Base interactions energy: -514.385 where: short stacking energy: -276.456 Base-Backbone interact. energy: -1.483 local terms energy: -407.348724 where: bonds (distance) C4'-P energy: -121.613 bonds (distance) P-C4' energy: -99.153 flat angles C4'-P-C4' energy: -116.045 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -837.077849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.077849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.077849 (E_RNA) where: Base-Base interactions energy: -460.174 where: short stacking energy: -250.893 Base-Backbone interact. energy: 0.166 local terms energy: -377.069417 where: bonds (distance) C4'-P energy: -109.109 bonds (distance) P-C4' energy: -103.429 flat angles C4'-P-C4' energy: -98.990 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -19.081 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: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -586.571204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.571204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.571204 (E_RNA) where: Base-Base interactions energy: -226.663 where: short stacking energy: -163.547 Base-Backbone interact. energy: -1.588 local terms energy: -358.320099 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -91.479 flat angles C4'-P-C4' energy: -95.128 flat angles P-C4'-P energy: -60.322 tors. eta vs tors. theta energy: 3.136 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: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -592.993639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.993639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.993639 (E_RNA) where: Base-Base interactions energy: -273.457 where: short stacking energy: -168.443 Base-Backbone interact. energy: -3.102 local terms energy: -316.435566 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -117.567 flat angles C4'-P-C4' energy: -85.988 flat angles P-C4'-P energy: -64.575 tors. eta vs tors. theta energy: 26.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1953.606368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.606368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.606368 (E_RNA) where: Base-Base interactions energy: -1283.482 where: short stacking energy: -578.925 Base-Backbone interact. energy: 1.046 local terms energy: -671.169902 where: bonds (distance) C4'-P energy: -125.555 bonds (distance) P-C4' energy: -140.420 flat angles C4'-P-C4' energy: -149.739 flat angles P-C4'-P energy: -96.697 tors. eta vs tors. theta energy: -158.759 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: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1802.585405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.585405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.585405 (E_RNA) where: Base-Base interactions energy: -1190.233 where: short stacking energy: -545.405 Base-Backbone interact. energy: -1.175 local terms energy: -611.176592 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -124.666 flat angles C4'-P-C4' energy: -138.145 flat angles P-C4'-P energy: -82.793 tors. eta vs tors. theta energy: -135.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1645.478371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.478371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.478371 (E_RNA) where: Base-Base interactions energy: -1070.012 where: short stacking energy: -465.995 Base-Backbone interact. energy: -0.794 local terms energy: -574.672339 where: bonds (distance) C4'-P energy: -105.026 bonds (distance) P-C4' energy: -127.466 flat angles C4'-P-C4' energy: -135.086 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -121.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1532.356393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.356393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.356393 (E_RNA) where: Base-Base interactions energy: -980.990 where: short stacking energy: -466.684 Base-Backbone interact. energy: 2.117 local terms energy: -553.483347 where: bonds (distance) C4'-P energy: -117.315 bonds (distance) P-C4' energy: -120.664 flat angles C4'-P-C4' energy: -126.809 flat angles P-C4'-P energy: -72.036 tors. eta vs tors. theta energy: -116.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1386.335507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.335507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.335507 (E_RNA) where: Base-Base interactions energy: -888.371 where: short stacking energy: -377.400 Base-Backbone interact. energy: 0.216 local terms energy: -498.180600 where: bonds (distance) C4'-P energy: -118.060 bonds (distance) P-C4' energy: -111.611 flat angles C4'-P-C4' energy: -111.883 flat angles P-C4'-P energy: -74.150 tors. eta vs tors. theta energy: -82.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1171.919816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.919816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.919816 (E_RNA) where: Base-Base interactions energy: -722.201 where: short stacking energy: -336.803 Base-Backbone interact. energy: -2.952 local terms energy: -446.767020 where: bonds (distance) C4'-P energy: -99.819 bonds (distance) P-C4' energy: -112.053 flat angles C4'-P-C4' energy: -107.542 flat angles P-C4'-P energy: -62.965 tors. eta vs tors. theta energy: -64.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -951.952621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.952621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.952621 (E_RNA) where: Base-Base interactions energy: -492.605 where: short stacking energy: -266.315 Base-Backbone interact. energy: -0.452 local terms energy: -458.896111 where: bonds (distance) C4'-P energy: -121.210 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -113.527 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -34.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -855.167020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.167020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.167020 (E_RNA) where: Base-Base interactions energy: -454.066 where: short stacking energy: -263.182 Base-Backbone interact. energy: 1.448 local terms energy: -402.549167 where: bonds (distance) C4'-P energy: -101.582 bonds (distance) P-C4' energy: -104.994 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -40.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -643.409284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.409284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.409284 (E_RNA) where: Base-Base interactions energy: -286.712 where: short stacking energy: -206.974 Base-Backbone interact. energy: -1.646 local terms energy: -355.051305 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -113.365 flat angles C4'-P-C4' energy: -75.958 flat angles P-C4'-P energy: -48.432 tors. eta vs tors. theta energy: 0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -502.305388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.305388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.305388 (E_RNA) where: Base-Base interactions energy: -198.751 where: short stacking energy: -164.658 Base-Backbone interact. energy: -0.168 local terms energy: -303.386084 where: bonds (distance) C4'-P energy: -81.254 bonds (distance) P-C4' energy: -107.612 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: 15.309 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: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1932.794631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.794631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.794631 (E_RNA) where: Base-Base interactions energy: -1293.570 where: short stacking energy: -589.759 Base-Backbone interact. energy: -2.681 local terms energy: -636.543785 where: bonds (distance) C4'-P energy: -135.157 bonds (distance) P-C4' energy: -118.073 flat angles C4'-P-C4' energy: -136.783 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -158.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1794.740575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.740575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.740575 (E_RNA) where: Base-Base interactions energy: -1181.996 where: short stacking energy: -533.650 Base-Backbone interact. energy: 4.869 local terms energy: -617.613421 where: bonds (distance) C4'-P energy: -114.922 bonds (distance) P-C4' energy: -118.868 flat angles C4'-P-C4' energy: -143.136 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -147.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1648.473164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.473164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.473164 (E_RNA) where: Base-Base interactions energy: -1072.803 where: short stacking energy: -476.784 Base-Backbone interact. energy: -1.642 local terms energy: -574.028134 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -108.687 flat angles C4'-P-C4' energy: -145.214 flat angles P-C4'-P energy: -85.409 tors. eta vs tors. theta energy: -111.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1569.620743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.620743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.620743 (E_RNA) where: Base-Base interactions energy: -1011.888 where: short stacking energy: -449.000 Base-Backbone interact. energy: -4.044 local terms energy: -553.689441 where: bonds (distance) C4'-P energy: -111.880 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -117.926 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -105.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1350.893702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.893702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.893702 (E_RNA) where: Base-Base interactions energy: -869.054 where: short stacking energy: -392.844 Base-Backbone interact. energy: -1.637 local terms energy: -480.202729 where: bonds (distance) C4'-P energy: -102.864 bonds (distance) P-C4' energy: -115.222 flat angles C4'-P-C4' energy: -114.783 flat angles P-C4'-P energy: -69.835 tors. eta vs tors. theta energy: -77.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1118.433789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.433789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.433789 (E_RNA) where: Base-Base interactions energy: -653.616 where: short stacking energy: -342.914 Base-Backbone interact. energy: 0.113 local terms energy: -464.930815 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -106.608 flat angles C4'-P-C4' energy: -115.524 flat angles P-C4'-P energy: -66.920 tors. eta vs tors. theta energy: -60.150 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: 39 Temperature: 1.200000 Total energy: -968.670521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.670521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.670521 (E_RNA) where: Base-Base interactions energy: -535.762 where: short stacking energy: -273.658 Base-Backbone interact. energy: -2.559 local terms energy: -430.350350 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -116.521 flat angles C4'-P-C4' energy: -102.537 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -30.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -860.563603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.563603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.563603 (E_RNA) where: Base-Base interactions energy: -462.729 where: short stacking energy: -277.318 Base-Backbone interact. energy: -3.609 local terms energy: -394.225185 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -104.640 flat angles C4'-P-C4' energy: -93.108 flat angles P-C4'-P energy: -50.620 tors. eta vs tors. theta energy: -34.491 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: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -679.280121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.280121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.280121 (E_RNA) where: Base-Base interactions energy: -308.640 where: short stacking energy: -198.895 Base-Backbone interact. energy: 0.742 local terms energy: -371.382716 where: bonds (distance) C4'-P energy: -106.595 bonds (distance) P-C4' energy: -105.740 flat angles C4'-P-C4' energy: -99.335 flat angles P-C4'-P energy: -43.979 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -518.438528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.438528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.438528 (E_RNA) where: Base-Base interactions energy: -224.405 where: short stacking energy: -151.993 Base-Backbone interact. energy: 1.440 local terms energy: -295.474082 where: bonds (distance) C4'-P energy: -84.671 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -76.266 flat angles P-C4'-P energy: -45.727 tors. eta vs tors. theta energy: 17.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2001.197698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.197698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.197698 (E_RNA) where: Base-Base interactions energy: -1319.450 where: short stacking energy: -618.091 Base-Backbone interact. energy: -1.085 local terms energy: -680.662859 where: bonds (distance) C4'-P energy: -121.020 bonds (distance) P-C4' energy: -133.011 flat angles C4'-P-C4' energy: -146.640 flat angles P-C4'-P energy: -97.168 tors. eta vs tors. theta energy: -182.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1860.807252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.807252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.807252 (E_RNA) where: Base-Base interactions energy: -1245.396 where: short stacking energy: -549.033 Base-Backbone interact. energy: -3.425 local terms energy: -611.986103 where: bonds (distance) C4'-P energy: -117.763 bonds (distance) P-C4' energy: -117.309 flat angles C4'-P-C4' energy: -141.997 flat angles P-C4'-P energy: -95.434 tors. eta vs tors. theta energy: -139.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1616.954267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.954267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.954267 (E_RNA) where: Base-Base interactions energy: -1054.690 where: short stacking energy: -474.343 Base-Backbone interact. energy: 2.625 local terms energy: -564.889266 where: bonds (distance) C4'-P energy: -127.203 bonds (distance) P-C4' energy: -119.593 flat angles C4'-P-C4' energy: -128.175 flat angles P-C4'-P energy: -77.926 tors. eta vs tors. theta energy: -111.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1637.233971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.233971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.233971 (E_RNA) where: Base-Base interactions energy: -1059.594 where: short stacking energy: -450.911 Base-Backbone interact. energy: 3.134 local terms energy: -580.773497 where: bonds (distance) C4'-P energy: -106.432 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -130.963 flat angles P-C4'-P energy: -82.693 tors. eta vs tors. theta energy: -132.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1352.183014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.183014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.183014 (E_RNA) where: Base-Base interactions energy: -817.450 where: short stacking energy: -410.503 Base-Backbone interact. energy: -2.156 local terms energy: -532.576527 where: bonds (distance) C4'-P energy: -117.183 bonds (distance) P-C4' energy: -109.872 flat angles C4'-P-C4' energy: -126.142 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -104.223 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: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1153.628428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.628428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.628428 (E_RNA) where: Base-Base interactions energy: -689.464 where: short stacking energy: -323.782 Base-Backbone interact. energy: -2.687 local terms energy: -461.477443 where: bonds (distance) C4'-P energy: -102.013 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -106.198 flat angles P-C4'-P energy: -59.318 tors. eta vs tors. theta energy: -84.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -950.742044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.742044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.742044 (E_RNA) where: Base-Base interactions energy: -538.645 where: short stacking energy: -280.660 Base-Backbone interact. energy: -2.410 local terms energy: -409.687018 where: bonds (distance) C4'-P energy: -103.434 bonds (distance) P-C4' energy: -100.279 flat angles C4'-P-C4' energy: -116.433 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -32.506 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: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -800.407907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.407907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.407907 (E_RNA) where: Base-Base interactions energy: -387.349 where: short stacking energy: -238.752 Base-Backbone interact. energy: -1.630 local terms energy: -411.429170 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -114.526 flat angles C4'-P-C4' energy: -92.978 flat angles P-C4'-P energy: -78.739 tors. eta vs tors. theta energy: -9.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -710.454019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.454019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.454019 (E_RNA) where: Base-Base interactions energy: -356.432 where: short stacking energy: -198.753 Base-Backbone interact. energy: -1.240 local terms energy: -352.781487 where: bonds (distance) C4'-P energy: -106.764 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -95.469 flat angles P-C4'-P energy: -40.137 tors. eta vs tors. theta energy: -15.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -479.982076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.982076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.982076 (E_RNA) where: Base-Base interactions energy: -189.827 where: short stacking energy: -162.055 Base-Backbone interact. energy: 7.986 local terms energy: -298.140587 where: bonds (distance) C4'-P energy: -72.742 bonds (distance) P-C4' energy: -110.849 flat angles C4'-P-C4' energy: -84.988 flat angles P-C4'-P energy: -37.902 tors. eta vs tors. theta energy: 8.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2006.118331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.118331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.118331 (E_RNA) where: Base-Base interactions energy: -1338.494 where: short stacking energy: -594.552 Base-Backbone interact. energy: -3.271 local terms energy: -664.352873 where: bonds (distance) C4'-P energy: -121.488 bonds (distance) P-C4' energy: -126.164 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -87.218 tors. eta vs tors. theta energy: -179.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1815.848700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.848700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.848700 (E_RNA) where: Base-Base interactions energy: -1198.690 where: short stacking energy: -542.620 Base-Backbone interact. energy: -1.049 local terms energy: -616.109901 where: bonds (distance) C4'-P energy: -131.272 bonds (distance) P-C4' energy: -120.101 flat angles C4'-P-C4' energy: -114.971 flat angles P-C4'-P energy: -97.662 tors. eta vs tors. theta energy: -152.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1640.021520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.021520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.021520 (E_RNA) where: Base-Base interactions energy: -1056.516 where: short stacking energy: -474.624 Base-Backbone interact. energy: -1.341 local terms energy: -582.164357 where: bonds (distance) C4'-P energy: -128.148 bonds (distance) P-C4' energy: -117.512 flat angles C4'-P-C4' energy: -125.435 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -118.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1601.506954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.506954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.506954 (E_RNA) where: Base-Base interactions energy: -1030.051 where: short stacking energy: -487.526 Base-Backbone interact. energy: 1.442 local terms energy: -572.898034 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -115.338 flat angles C4'-P-C4' energy: -120.246 flat angles P-C4'-P energy: -85.080 tors. eta vs tors. theta energy: -132.319 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: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1285.841245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.841245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.841245 (E_RNA) where: Base-Base interactions energy: -803.297 where: short stacking energy: -381.164 Base-Backbone interact. energy: -2.982 local terms energy: -479.562011 where: bonds (distance) C4'-P energy: -115.100 bonds (distance) P-C4' energy: -93.105 flat angles C4'-P-C4' energy: -122.390 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -78.708 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: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1173.418442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.418442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.418442 (E_RNA) where: Base-Base interactions energy: -695.251 where: short stacking energy: -337.485 Base-Backbone interact. energy: -2.926 local terms energy: -475.241478 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -119.793 flat angles C4'-P-C4' energy: -104.873 flat angles P-C4'-P energy: -70.921 tors. eta vs tors. theta energy: -75.604 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: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1027.852418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.852418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.852418 (E_RNA) where: Base-Base interactions energy: -597.974 where: short stacking energy: -310.078 Base-Backbone interact. energy: -2.859 local terms energy: -427.019886 where: bonds (distance) C4'-P energy: -100.952 bonds (distance) P-C4' energy: -115.406 flat angles C4'-P-C4' energy: -105.006 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -55.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -850.370229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.370229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.370229 (E_RNA) where: Base-Base interactions energy: -444.573 where: short stacking energy: -248.241 Base-Backbone interact. energy: 1.711 local terms energy: -407.508253 where: bonds (distance) C4'-P energy: -108.963 bonds (distance) P-C4' energy: -102.700 flat angles C4'-P-C4' energy: -102.355 flat angles P-C4'-P energy: -67.505 tors. eta vs tors. theta energy: -25.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -739.214944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.214944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.214944 (E_RNA) where: Base-Base interactions energy: -371.005 where: short stacking energy: -223.637 Base-Backbone interact. energy: -3.237 local terms energy: -364.973079 where: bonds (distance) C4'-P energy: -101.787 bonds (distance) P-C4' energy: -99.611 flat angles C4'-P-C4' energy: -105.794 flat angles P-C4'-P energy: -62.828 tors. eta vs tors. theta energy: 5.047 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: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -519.447983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.447983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.447983 (E_RNA) where: Base-Base interactions energy: -177.317 where: short stacking energy: -153.672 Base-Backbone interact. energy: -2.642 local terms energy: -339.488388 where: bonds (distance) C4'-P energy: -92.683 bonds (distance) P-C4' energy: -107.812 flat angles C4'-P-C4' energy: -100.628 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: 9.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2004.002594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.002594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.002594 (E_RNA) where: Base-Base interactions energy: -1331.253 where: short stacking energy: -607.288 Base-Backbone interact. energy: -7.197 local terms energy: -665.552919 where: bonds (distance) C4'-P energy: -123.695 bonds (distance) P-C4' energy: -133.156 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -87.980 tors. eta vs tors. theta energy: -174.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1879.021581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.021581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.021581 (E_RNA) where: Base-Base interactions energy: -1256.572 where: short stacking energy: -550.076 Base-Backbone interact. energy: -3.001 local terms energy: -619.448507 where: bonds (distance) C4'-P energy: -121.298 bonds (distance) P-C4' energy: -128.490 flat angles C4'-P-C4' energy: -133.290 flat angles P-C4'-P energy: -83.100 tors. eta vs tors. theta energy: -153.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1626.833792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.833792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.833792 (E_RNA) where: Base-Base interactions energy: -1069.764 where: short stacking energy: -493.352 Base-Backbone interact. energy: -3.476 local terms energy: -553.593879 where: bonds (distance) C4'-P energy: -122.303 bonds (distance) P-C4' energy: -113.715 flat angles C4'-P-C4' energy: -127.103 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -118.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1604.693965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.693965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.693965 (E_RNA) where: Base-Base interactions energy: -1030.865 where: short stacking energy: -475.620 Base-Backbone interact. energy: -2.610 local terms energy: -571.219081 where: bonds (distance) C4'-P energy: -102.969 bonds (distance) P-C4' energy: -128.539 flat angles C4'-P-C4' energy: -132.460 flat angles P-C4'-P energy: -89.418 tors. eta vs tors. theta energy: -117.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1357.401437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.401437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.401437 (E_RNA) where: Base-Base interactions energy: -839.165 where: short stacking energy: -392.345 Base-Backbone interact. energy: -0.705 local terms energy: -517.531837 where: bonds (distance) C4'-P energy: -118.211 bonds (distance) P-C4' energy: -118.096 flat angles C4'-P-C4' energy: -118.759 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -86.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1065.546135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.546135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.546135 (E_RNA) where: Base-Base interactions energy: -648.117 where: short stacking energy: -340.843 Base-Backbone interact. energy: 1.597 local terms energy: -419.026006 where: bonds (distance) C4'-P energy: -93.903 bonds (distance) P-C4' energy: -98.216 flat angles C4'-P-C4' energy: -115.266 flat angles P-C4'-P energy: -66.628 tors. eta vs tors. theta energy: -45.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1048.703097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.703097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.703097 (E_RNA) where: Base-Base interactions energy: -595.913 where: short stacking energy: -294.944 Base-Backbone interact. energy: -1.634 local terms energy: -451.156161 where: bonds (distance) C4'-P energy: -96.992 bonds (distance) P-C4' energy: -115.184 flat angles C4'-P-C4' energy: -122.624 flat angles P-C4'-P energy: -67.238 tors. eta vs tors. theta energy: -49.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -842.291170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.291170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.291170 (E_RNA) where: Base-Base interactions energy: -418.050 where: short stacking energy: -242.169 Base-Backbone interact. energy: -1.266 local terms energy: -422.975909 where: bonds (distance) C4'-P energy: -123.891 bonds (distance) P-C4' energy: -121.135 flat angles C4'-P-C4' energy: -101.603 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: -22.868 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: 2 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -743.211750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.211750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.211750 (E_RNA) where: Base-Base interactions energy: -405.384 where: short stacking energy: -238.350 Base-Backbone interact. energy: -0.002 local terms energy: -337.826635 where: bonds (distance) C4'-P energy: -97.586 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -90.645 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: -7.047 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: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -507.344547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.344547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.344547 (E_RNA) where: Base-Base interactions energy: -177.883 where: short stacking energy: -164.434 Base-Backbone interact. energy: -2.535 local terms energy: -326.926320 where: bonds (distance) C4'-P energy: -100.141 bonds (distance) P-C4' energy: -102.082 flat angles C4'-P-C4' energy: -99.293 flat angles P-C4'-P energy: -47.140 tors. eta vs tors. theta energy: 21.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2028.071097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.071097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.071097 (E_RNA) where: Base-Base interactions energy: -1359.224 where: short stacking energy: -583.826 Base-Backbone interact. energy: -4.370 local terms energy: -664.476694 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -143.387 flat angles P-C4'-P energy: -90.277 tors. eta vs tors. theta energy: -169.095 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: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1875.786006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.786006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.786006 (E_RNA) where: Base-Base interactions energy: -1264.377 where: short stacking energy: -524.778 Base-Backbone interact. energy: 2.481 local terms energy: -613.889527 where: bonds (distance) C4'-P energy: -110.834 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -91.945 tors. eta vs tors. theta energy: -143.778 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: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1632.988616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.988616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.988616 (E_RNA) where: Base-Base interactions energy: -1050.393 where: short stacking energy: -498.770 Base-Backbone interact. energy: -0.234 local terms energy: -582.361623 where: bonds (distance) C4'-P energy: -124.794 bonds (distance) P-C4' energy: -127.812 flat angles C4'-P-C4' energy: -115.534 flat angles P-C4'-P energy: -87.065 tors. eta vs tors. theta energy: -127.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1673.624881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.624881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.624881 (E_RNA) where: Base-Base interactions energy: -1120.474 where: short stacking energy: -522.599 Base-Backbone interact. energy: -1.771 local terms energy: -551.379314 where: bonds (distance) C4'-P energy: -98.702 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -124.810 flat angles P-C4'-P energy: -74.326 tors. eta vs tors. theta energy: -143.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1401.082988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.082988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.082988 (E_RNA) where: Base-Base interactions energy: -883.872 where: short stacking energy: -433.573 Base-Backbone interact. energy: 2.795 local terms energy: -520.006119 where: bonds (distance) C4'-P energy: -99.251 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -123.460 flat angles P-C4'-P energy: -74.486 tors. eta vs tors. theta energy: -96.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1094.280301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.280301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.280301 (E_RNA) where: Base-Base interactions energy: -617.609 where: short stacking energy: -306.708 Base-Backbone interact. energy: -2.284 local terms energy: -474.387696 where: bonds (distance) C4'-P energy: -112.282 bonds (distance) P-C4' energy: -111.763 flat angles C4'-P-C4' energy: -118.213 flat angles P-C4'-P energy: -79.516 tors. eta vs tors. theta energy: -52.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1031.207749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.207749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.207749 (E_RNA) where: Base-Base interactions energy: -603.100 where: short stacking energy: -294.326 Base-Backbone interact. energy: 1.807 local terms energy: -429.914903 where: bonds (distance) C4'-P energy: -106.261 bonds (distance) P-C4' energy: -108.811 flat angles C4'-P-C4' energy: -111.590 flat angles P-C4'-P energy: -60.443 tors. eta vs tors. theta energy: -42.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -894.150623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.150623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.150623 (E_RNA) where: Base-Base interactions energy: -521.725 where: short stacking energy: -270.207 Base-Backbone interact. energy: -3.589 local terms energy: -368.836310 where: bonds (distance) C4'-P energy: -76.212 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -102.476 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -42.620 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: 2 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -761.020700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.020700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.020700 (E_RNA) where: Base-Base interactions energy: -402.640 where: short stacking energy: -222.779 Base-Backbone interact. energy: -1.013 local terms energy: -357.367231 where: bonds (distance) C4'-P energy: -93.783 bonds (distance) P-C4' energy: -109.534 flat angles C4'-P-C4' energy: -88.781 flat angles P-C4'-P energy: -77.032 tors. eta vs tors. theta energy: 11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -498.281433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.281433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.281433 (E_RNA) where: Base-Base interactions energy: -185.871 where: short stacking energy: -150.106 Base-Backbone interact. energy: -0.033 local terms energy: -312.376647 where: bonds (distance) C4'-P energy: -96.684 bonds (distance) P-C4' energy: -119.763 flat angles C4'-P-C4' energy: -72.862 flat angles P-C4'-P energy: -40.983 tors. eta vs tors. theta energy: 17.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1964.667013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.667013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.667013 (E_RNA) where: Base-Base interactions energy: -1310.907 where: short stacking energy: -567.068 Base-Backbone interact. energy: -3.544 local terms energy: -650.216358 where: bonds (distance) C4'-P energy: -131.786 bonds (distance) P-C4' energy: -133.932 flat angles C4'-P-C4' energy: -140.497 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -165.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1898.859318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.859318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.859318 (E_RNA) where: Base-Base interactions energy: -1293.302 where: short stacking energy: -534.224 Base-Backbone interact. energy: -1.309 local terms energy: -604.248483 where: bonds (distance) C4'-P energy: -117.937 bonds (distance) P-C4' energy: -125.582 flat angles C4'-P-C4' energy: -136.907 flat angles P-C4'-P energy: -83.498 tors. eta vs tors. theta energy: -140.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1713.834521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.834521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.834521 (E_RNA) where: Base-Base interactions energy: -1098.642 where: short stacking energy: -500.541 Base-Backbone interact. energy: -1.522 local terms energy: -613.671221 where: bonds (distance) C4'-P energy: -118.772 bonds (distance) P-C4' energy: -136.201 flat angles C4'-P-C4' energy: -139.566 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -132.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1603.520713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.520713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.520713 (E_RNA) where: Base-Base interactions energy: -1042.497 where: short stacking energy: -476.568 Base-Backbone interact. energy: -2.712 local terms energy: -558.311625 where: bonds (distance) C4'-P energy: -117.951 bonds (distance) P-C4' energy: -125.160 flat angles C4'-P-C4' energy: -111.233 flat angles P-C4'-P energy: -79.818 tors. eta vs tors. theta energy: -124.149 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: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1438.510250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.510250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.510250 (E_RNA) where: Base-Base interactions energy: -899.909 where: short stacking energy: -461.180 Base-Backbone interact. energy: -2.393 local terms energy: -536.208362 where: bonds (distance) C4'-P energy: -115.800 bonds (distance) P-C4' energy: -95.926 flat angles C4'-P-C4' energy: -126.739 flat angles P-C4'-P energy: -79.530 tors. eta vs tors. theta energy: -118.214 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: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1052.635148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.635148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.635148 (E_RNA) where: Base-Base interactions energy: -613.108 where: short stacking energy: -327.346 Base-Backbone interact. energy: 4.777 local terms energy: -444.304007 where: bonds (distance) C4'-P energy: -102.673 bonds (distance) P-C4' energy: -121.961 flat angles C4'-P-C4' energy: -106.779 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -42.322 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: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1046.796708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.796708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.796708 (E_RNA) where: Base-Base interactions energy: -629.430 where: short stacking energy: -312.451 Base-Backbone interact. energy: -1.605 local terms energy: -415.761029 where: bonds (distance) C4'-P energy: -93.735 bonds (distance) P-C4' energy: -92.526 flat angles C4'-P-C4' energy: -109.318 flat angles P-C4'-P energy: -75.838 tors. eta vs tors. theta energy: -44.345 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: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -941.389087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.389087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.389087 (E_RNA) where: Base-Base interactions energy: -527.066 where: short stacking energy: -286.853 Base-Backbone interact. energy: -2.025 local terms energy: -412.297935 where: bonds (distance) C4'-P energy: -96.482 bonds (distance) P-C4' energy: -117.306 flat angles C4'-P-C4' energy: -95.331 flat angles P-C4'-P energy: -67.866 tors. eta vs tors. theta energy: -35.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -759.797009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.797009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.797009 (E_RNA) where: Base-Base interactions energy: -393.948 where: short stacking energy: -187.725 Base-Backbone interact. energy: -0.357 local terms energy: -365.491896 where: bonds (distance) C4'-P energy: -104.217 bonds (distance) P-C4' energy: -91.678 flat angles C4'-P-C4' energy: -94.404 flat angles P-C4'-P energy: -67.972 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -476.015236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.015236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.015236 (E_RNA) where: Base-Base interactions energy: -166.035 where: short stacking energy: -159.157 Base-Backbone interact. energy: 2.091 local terms energy: -312.071213 where: bonds (distance) C4'-P energy: -93.738 bonds (distance) P-C4' energy: -96.450 flat angles C4'-P-C4' energy: -93.644 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: 24.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2006.393375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.393375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.393375 (E_RNA) where: Base-Base interactions energy: -1345.748 where: short stacking energy: -596.161 Base-Backbone interact. energy: -6.885 local terms energy: -653.760880 where: bonds (distance) C4'-P energy: -111.368 bonds (distance) P-C4' energy: -129.634 flat angles C4'-P-C4' energy: -142.875 flat angles P-C4'-P energy: -94.752 tors. eta vs tors. theta energy: -175.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1906.076298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.076298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.076298 (E_RNA) where: Base-Base interactions energy: -1271.036 where: short stacking energy: -553.492 Base-Backbone interact. energy: -3.470 local terms energy: -631.570197 where: bonds (distance) C4'-P energy: -130.784 bonds (distance) P-C4' energy: -130.822 flat angles C4'-P-C4' energy: -138.825 flat angles P-C4'-P energy: -88.696 tors. eta vs tors. theta energy: -142.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1697.624762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.624762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.624762 (E_RNA) where: Base-Base interactions energy: -1106.877 where: short stacking energy: -524.631 Base-Backbone interact. energy: 0.620 local terms energy: -591.367662 where: bonds (distance) C4'-P energy: -111.911 bonds (distance) P-C4' energy: -122.454 flat angles C4'-P-C4' energy: -141.125 flat angles P-C4'-P energy: -74.520 tors. eta vs tors. theta energy: -141.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1600.494370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.494370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.494370 (E_RNA) where: Base-Base interactions energy: -1048.895 where: short stacking energy: -512.809 Base-Backbone interact. energy: 2.616 local terms energy: -554.216015 where: bonds (distance) C4'-P energy: -106.607 bonds (distance) P-C4' energy: -111.583 flat angles C4'-P-C4' energy: -122.620 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -135.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1348.505188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.505188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.505188 (E_RNA) where: Base-Base interactions energy: -806.059 where: short stacking energy: -391.270 Base-Backbone interact. energy: -2.219 local terms energy: -540.226822 where: bonds (distance) C4'-P energy: -129.898 bonds (distance) P-C4' energy: -122.045 flat angles C4'-P-C4' energy: -121.525 flat angles P-C4'-P energy: -73.285 tors. eta vs tors. theta energy: -93.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1131.091837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.091837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.091837 (E_RNA) where: Base-Base interactions energy: -646.051 where: short stacking energy: -318.143 Base-Backbone interact. energy: -0.115 local terms energy: -484.926232 where: bonds (distance) C4'-P energy: -126.563 bonds (distance) P-C4' energy: -111.796 flat angles C4'-P-C4' energy: -114.735 flat angles P-C4'-P energy: -83.099 tors. eta vs tors. theta energy: -48.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1080.163144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.163144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.163144 (E_RNA) where: Base-Base interactions energy: -641.037 where: short stacking energy: -337.897 Base-Backbone interact. energy: -2.013 local terms energy: -437.112982 where: bonds (distance) C4'-P energy: -103.350 bonds (distance) P-C4' energy: -117.122 flat angles C4'-P-C4' energy: -110.094 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -53.638 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: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -924.171571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.171571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.171571 (E_RNA) where: Base-Base interactions energy: -526.635 where: short stacking energy: -281.449 Base-Backbone interact. energy: -4.339 local terms energy: -393.197694 where: bonds (distance) C4'-P energy: -106.606 bonds (distance) P-C4' energy: -103.529 flat angles C4'-P-C4' energy: -89.129 flat angles P-C4'-P energy: -59.372 tors. eta vs tors. theta energy: -34.562 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: 9, replica: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -820.467084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.467084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.467084 (E_RNA) where: Base-Base interactions energy: -456.807 where: short stacking energy: -249.394 Base-Backbone interact. energy: -1.731 local terms energy: -361.928881 where: bonds (distance) C4'-P energy: -103.776 bonds (distance) P-C4' energy: -91.755 flat angles C4'-P-C4' energy: -87.832 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -33.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -470.478722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.478722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.478722 (E_RNA) where: Base-Base interactions energy: -159.886 where: short stacking energy: -140.018 Base-Backbone interact. energy: -1.211 local terms energy: -309.381564 where: bonds (distance) C4'-P energy: -86.752 bonds (distance) P-C4' energy: -94.814 flat angles C4'-P-C4' energy: -101.450 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: 22.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1992.862911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.862911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.862911 (E_RNA) where: Base-Base interactions energy: -1328.478 where: short stacking energy: -605.922 Base-Backbone interact. energy: -2.232 local terms energy: -662.152737 where: bonds (distance) C4'-P energy: -130.304 bonds (distance) P-C4' energy: -127.335 flat angles C4'-P-C4' energy: -140.643 flat angles P-C4'-P energy: -88.486 tors. eta vs tors. theta energy: -175.384 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: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1890.411245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.411245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.411245 (E_RNA) where: Base-Base interactions energy: -1286.225 where: short stacking energy: -555.290 Base-Backbone interact. energy: -1.722 local terms energy: -602.464209 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -122.674 flat angles C4'-P-C4' energy: -128.461 flat angles P-C4'-P energy: -76.407 tors. eta vs tors. theta energy: -142.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1682.384490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.384490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.384490 (E_RNA) where: Base-Base interactions energy: -1100.514 where: short stacking energy: -497.620 Base-Backbone interact. energy: -1.903 local terms energy: -579.966909 where: bonds (distance) C4'-P energy: -114.657 bonds (distance) P-C4' energy: -120.636 flat angles C4'-P-C4' energy: -123.881 flat angles P-C4'-P energy: -87.314 tors. eta vs tors. theta energy: -133.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1597.794666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.794666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.794666 (E_RNA) where: Base-Base interactions energy: -1018.224 where: short stacking energy: -488.301 Base-Backbone interact. energy: -2.431 local terms energy: -577.139800 where: bonds (distance) C4'-P energy: -105.567 bonds (distance) P-C4' energy: -126.660 flat angles C4'-P-C4' energy: -127.863 flat angles P-C4'-P energy: -79.432 tors. eta vs tors. theta energy: -137.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1342.775303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.775303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.775303 (E_RNA) where: Base-Base interactions energy: -827.534 where: short stacking energy: -413.048 Base-Backbone interact. energy: 3.901 local terms energy: -519.142906 where: bonds (distance) C4'-P energy: -118.510 bonds (distance) P-C4' energy: -108.481 flat angles C4'-P-C4' energy: -128.795 flat angles P-C4'-P energy: -74.125 tors. eta vs tors. theta energy: -89.231 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: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1145.121796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.121796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.121796 (E_RNA) where: Base-Base interactions energy: -668.545 where: short stacking energy: -303.360 Base-Backbone interact. energy: -0.541 local terms energy: -476.035984 where: bonds (distance) C4'-P energy: -120.345 bonds (distance) P-C4' energy: -114.745 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -64.470 tors. eta vs tors. theta energy: -57.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1092.642444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.642444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.642444 (E_RNA) where: Base-Base interactions energy: -663.252 where: short stacking energy: -273.522 Base-Backbone interact. energy: -2.407 local terms energy: -426.983564 where: bonds (distance) C4'-P energy: -106.089 bonds (distance) P-C4' energy: -114.836 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -76.170 tors. eta vs tors. theta energy: -39.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -914.671244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.671244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.671244 (E_RNA) where: Base-Base interactions energy: -492.932 where: short stacking energy: -244.040 Base-Backbone interact. energy: -1.121 local terms energy: -420.617622 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -114.908 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -58.404 tors. eta vs tors. theta energy: -35.017 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: 9, replica: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -779.706789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.706789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.706789 (E_RNA) where: Base-Base interactions energy: -422.702 where: short stacking energy: -226.502 Base-Backbone interact. energy: 0.744 local terms energy: -357.748688 where: bonds (distance) C4'-P energy: -95.279 bonds (distance) P-C4' energy: -106.104 flat angles C4'-P-C4' energy: -96.329 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -7.922 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: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -484.298031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.298031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.298031 (E_RNA) where: Base-Base interactions energy: -174.141 where: short stacking energy: -132.956 Base-Backbone interact. energy: -0.712 local terms energy: -309.444999 where: bonds (distance) C4'-P energy: -112.550 bonds (distance) P-C4' energy: -109.690 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: 37.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2002.551025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.551025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.551025 (E_RNA) where: Base-Base interactions energy: -1350.829 where: short stacking energy: -585.361 Base-Backbone interact. energy: -5.806 local terms energy: -645.916031 where: bonds (distance) C4'-P energy: -117.667 bonds (distance) P-C4' energy: -117.705 flat angles C4'-P-C4' energy: -155.254 flat angles P-C4'-P energy: -88.805 tors. eta vs tors. theta energy: -166.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1853.886465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.886465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.886465 (E_RNA) where: Base-Base interactions energy: -1245.888 where: short stacking energy: -546.510 Base-Backbone interact. energy: -2.067 local terms energy: -605.931340 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -118.329 flat angles C4'-P-C4' energy: -133.040 flat angles P-C4'-P energy: -90.533 tors. eta vs tors. theta energy: -148.771 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: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1706.147790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.147790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.147790 (E_RNA) where: Base-Base interactions energy: -1117.115 where: short stacking energy: -508.815 Base-Backbone interact. energy: -2.917 local terms energy: -586.116392 where: bonds (distance) C4'-P energy: -109.032 bonds (distance) P-C4' energy: -138.190 flat angles C4'-P-C4' energy: -112.913 flat angles P-C4'-P energy: -75.498 tors. eta vs tors. theta energy: -150.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1524.778630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.778630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.778630 (E_RNA) where: Base-Base interactions energy: -990.373 where: short stacking energy: -443.599 Base-Backbone interact. energy: -2.036 local terms energy: -532.369741 where: bonds (distance) C4'-P energy: -110.512 bonds (distance) P-C4' energy: -124.608 flat angles C4'-P-C4' energy: -108.280 flat angles P-C4'-P energy: -76.029 tors. eta vs tors. theta energy: -112.940 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: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1411.799863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.799863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.799863 (E_RNA) where: Base-Base interactions energy: -869.145 where: short stacking energy: -408.825 Base-Backbone interact. energy: -2.131 local terms energy: -540.523213 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -131.122 flat angles C4'-P-C4' energy: -116.698 flat angles P-C4'-P energy: -73.448 tors. eta vs tors. theta energy: -99.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1204.332093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.332093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.332093 (E_RNA) where: Base-Base interactions energy: -736.084 where: short stacking energy: -369.265 Base-Backbone interact. energy: 1.213 local terms energy: -469.460519 where: bonds (distance) C4'-P energy: -111.156 bonds (distance) P-C4' energy: -119.804 flat angles C4'-P-C4' energy: -109.926 flat angles P-C4'-P energy: -53.040 tors. eta vs tors. theta energy: -75.535 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: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1143.779157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.779157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.779157 (E_RNA) where: Base-Base interactions energy: -733.347 where: short stacking energy: -342.761 Base-Backbone interact. energy: 1.017 local terms energy: -411.448678 where: bonds (distance) C4'-P energy: -99.161 bonds (distance) P-C4' energy: -103.899 flat angles C4'-P-C4' energy: -99.090 flat angles P-C4'-P energy: -60.137 tors. eta vs tors. theta energy: -49.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -965.095137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.095137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.095137 (E_RNA) where: Base-Base interactions energy: -559.616 where: short stacking energy: -278.855 Base-Backbone interact. energy: -0.263 local terms energy: -405.216160 where: bonds (distance) C4'-P energy: -105.215 bonds (distance) P-C4' energy: -118.626 flat angles C4'-P-C4' energy: -88.189 flat angles P-C4'-P energy: -53.611 tors. eta vs tors. theta energy: -39.575 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: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -767.569658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.569658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.569658 (E_RNA) where: Base-Base interactions energy: -448.055 where: short stacking energy: -241.654 Base-Backbone interact. energy: 0.736 local terms energy: -320.251231 where: bonds (distance) C4'-P energy: -104.401 bonds (distance) P-C4' energy: -95.927 flat angles C4'-P-C4' energy: -96.783 flat angles P-C4'-P energy: -12.575 tors. eta vs tors. theta energy: -10.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -498.727827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.727827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.727827 (E_RNA) where: Base-Base interactions energy: -188.340 where: short stacking energy: -139.661 Base-Backbone interact. energy: 3.484 local terms energy: -313.872206 where: bonds (distance) C4'-P energy: -93.606 bonds (distance) P-C4' energy: -114.170 flat angles C4'-P-C4' energy: -82.341 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: 21.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1976.615686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.615686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.615686 (E_RNA) where: Base-Base interactions energy: -1331.643 where: short stacking energy: -591.358 Base-Backbone interact. energy: -4.122 local terms energy: -640.851384 where: bonds (distance) C4'-P energy: -109.883 bonds (distance) P-C4' energy: -129.646 flat angles C4'-P-C4' energy: -144.391 flat angles P-C4'-P energy: -88.657 tors. eta vs tors. theta energy: -168.274 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: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1900.029863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.029863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.029863 (E_RNA) where: Base-Base interactions energy: -1260.875 where: short stacking energy: -558.053 Base-Backbone interact. energy: -2.980 local terms energy: -636.174868 where: bonds (distance) C4'-P energy: -123.313 bonds (distance) P-C4' energy: -134.838 flat angles C4'-P-C4' energy: -135.857 flat angles P-C4'-P energy: -90.327 tors. eta vs tors. theta energy: -151.841 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: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1670.083855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.083855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.083855 (E_RNA) where: Base-Base interactions energy: -1058.997 where: short stacking energy: -496.066 Base-Backbone interact. energy: -1.996 local terms energy: -609.090531 where: bonds (distance) C4'-P energy: -119.047 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -141.129 flat angles P-C4'-P energy: -92.254 tors. eta vs tors. theta energy: -134.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1556.176469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.176469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.176469 (E_RNA) where: Base-Base interactions energy: -1015.570 where: short stacking energy: -459.987 Base-Backbone interact. energy: -4.160 local terms energy: -536.446419 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -115.050 flat angles C4'-P-C4' energy: -111.413 flat angles P-C4'-P energy: -72.754 tors. eta vs tors. theta energy: -116.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1391.017479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.017479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.017479 (E_RNA) where: Base-Base interactions energy: -861.758 where: short stacking energy: -421.231 Base-Backbone interact. energy: -0.634 local terms energy: -528.624732 where: bonds (distance) C4'-P energy: -122.895 bonds (distance) P-C4' energy: -113.103 flat angles C4'-P-C4' energy: -112.095 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -103.380 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: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1220.175651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.175651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.175651 (E_RNA) where: Base-Base interactions energy: -732.901 where: short stacking energy: -343.246 Base-Backbone interact. energy: -1.154 local terms energy: -486.120521 where: bonds (distance) C4'-P energy: -103.305 bonds (distance) P-C4' energy: -112.867 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -81.814 tors. eta vs tors. theta energy: -83.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1093.473325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.473325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.473325 (E_RNA) where: Base-Base interactions energy: -662.533 where: short stacking energy: -298.073 Base-Backbone interact. energy: -0.486 local terms energy: -430.453986 where: bonds (distance) C4'-P energy: -104.888 bonds (distance) P-C4' energy: -108.082 flat angles C4'-P-C4' energy: -102.678 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -38.892 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: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -882.240465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.240465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.240465 (E_RNA) where: Base-Base interactions energy: -484.201 where: short stacking energy: -247.143 Base-Backbone interact. energy: -1.675 local terms energy: -396.363695 where: bonds (distance) C4'-P energy: -93.377 bonds (distance) P-C4' energy: -120.239 flat angles C4'-P-C4' energy: -99.335 flat angles P-C4'-P energy: -59.181 tors. eta vs tors. theta energy: -24.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -772.643920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.643920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.643920 (E_RNA) where: Base-Base interactions energy: -406.622 where: short stacking energy: -211.886 Base-Backbone interact. energy: 5.495 local terms energy: -371.517265 where: bonds (distance) C4'-P energy: -93.642 bonds (distance) P-C4' energy: -120.921 flat angles C4'-P-C4' energy: -102.883 flat angles P-C4'-P energy: -57.047 tors. eta vs tors. theta energy: 2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -523.966639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.966639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.966639 (E_RNA) where: Base-Base interactions energy: -221.818 where: short stacking energy: -153.997 Base-Backbone interact. energy: 5.312 local terms energy: -307.461266 where: bonds (distance) C4'-P energy: -96.322 bonds (distance) P-C4' energy: -102.854 flat angles C4'-P-C4' energy: -75.843 flat angles P-C4'-P energy: -42.146 tors. eta vs tors. theta energy: 9.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2010.014881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.014881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.014881 (E_RNA) where: Base-Base interactions energy: -1348.312 where: short stacking energy: -615.944 Base-Backbone interact. energy: -3.422 local terms energy: -658.280947 where: bonds (distance) C4'-P energy: -130.891 bonds (distance) P-C4' energy: -128.990 flat angles C4'-P-C4' energy: -142.092 flat angles P-C4'-P energy: -87.514 tors. eta vs tors. theta energy: -168.793 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: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1859.093499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.093499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.093499 (E_RNA) where: Base-Base interactions energy: -1238.206 where: short stacking energy: -531.593 Base-Backbone interact. energy: -1.943 local terms energy: -618.944428 where: bonds (distance) C4'-P energy: -135.637 bonds (distance) P-C4' energy: -113.256 flat angles C4'-P-C4' energy: -138.790 flat angles P-C4'-P energy: -94.451 tors. eta vs tors. theta energy: -136.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1690.874842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.874842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.874842 (E_RNA) where: Base-Base interactions energy: -1106.047 where: short stacking energy: -528.119 Base-Backbone interact. energy: -2.747 local terms energy: -582.080989 where: bonds (distance) C4'-P energy: -110.850 bonds (distance) P-C4' energy: -125.054 flat angles C4'-P-C4' energy: -122.131 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -143.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1544.135971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.135971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.135971 (E_RNA) where: Base-Base interactions energy: -986.643 where: short stacking energy: -465.137 Base-Backbone interact. energy: -3.864 local terms energy: -553.629288 where: bonds (distance) C4'-P energy: -112.270 bonds (distance) P-C4' energy: -124.143 flat angles C4'-P-C4' energy: -113.840 flat angles P-C4'-P energy: -82.794 tors. eta vs tors. theta energy: -120.582 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: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1390.868495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.868495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.868495 (E_RNA) where: Base-Base interactions energy: -834.661 where: short stacking energy: -400.468 Base-Backbone interact. energy: -5.201 local terms energy: -551.006336 where: bonds (distance) C4'-P energy: -123.005 bonds (distance) P-C4' energy: -110.539 flat angles C4'-P-C4' energy: -126.922 flat angles P-C4'-P energy: -81.623 tors. eta vs tors. theta energy: -108.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1257.967574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.967574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.967574 (E_RNA) where: Base-Base interactions energy: -796.606 where: short stacking energy: -390.312 Base-Backbone interact. energy: 3.045 local terms energy: -464.406163 where: bonds (distance) C4'-P energy: -100.491 bonds (distance) P-C4' energy: -122.160 flat angles C4'-P-C4' energy: -111.141 flat angles P-C4'-P energy: -58.139 tors. eta vs tors. theta energy: -72.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1137.389284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.389284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.389284 (E_RNA) where: Base-Base interactions energy: -693.728 where: short stacking energy: -323.512 Base-Backbone interact. energy: -1.372 local terms energy: -442.289149 where: bonds (distance) C4'-P energy: -99.250 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -109.889 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -53.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -883.029514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.029514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.029514 (E_RNA) where: Base-Base interactions energy: -492.030 where: short stacking energy: -249.794 Base-Backbone interact. energy: -4.687 local terms energy: -386.312842 where: bonds (distance) C4'-P energy: -100.407 bonds (distance) P-C4' energy: -114.901 flat angles C4'-P-C4' energy: -104.682 flat angles P-C4'-P energy: -39.627 tors. eta vs tors. theta energy: -26.695 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: 9, replica: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -787.953728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.953728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.953728 (E_RNA) where: Base-Base interactions energy: -400.791 where: short stacking energy: -218.316 Base-Backbone interact. energy: 5.732 local terms energy: -392.895355 where: bonds (distance) C4'-P energy: -96.623 bonds (distance) P-C4' energy: -116.569 flat angles C4'-P-C4' energy: -109.677 flat angles P-C4'-P energy: -69.316 tors. eta vs tors. theta energy: -0.710 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: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -478.748817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.748817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.748817 (E_RNA) where: Base-Base interactions energy: -171.492 where: short stacking energy: -143.316 Base-Backbone interact. energy: 1.964 local terms energy: -309.220366 where: bonds (distance) C4'-P energy: -92.706 bonds (distance) P-C4' energy: -106.990 flat angles C4'-P-C4' energy: -102.307 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: 28.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1980.686837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.686837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.686837 (E_RNA) where: Base-Base interactions energy: -1346.373 where: short stacking energy: -586.444 Base-Backbone interact. energy: -4.768 local terms energy: -629.545851 where: bonds (distance) C4'-P energy: -108.740 bonds (distance) P-C4' energy: -120.359 flat angles C4'-P-C4' energy: -136.592 flat angles P-C4'-P energy: -102.642 tors. eta vs tors. theta energy: -161.213 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: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1908.201717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.201717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.201717 (E_RNA) where: Base-Base interactions energy: -1296.476 where: short stacking energy: -580.047 Base-Backbone interact. energy: -2.955 local terms energy: -608.770768 where: bonds (distance) C4'-P energy: -111.014 bonds (distance) P-C4' energy: -126.447 flat angles C4'-P-C4' energy: -138.191 flat angles P-C4'-P energy: -81.042 tors. eta vs tors. theta energy: -152.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1705.400423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.400423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.400423 (E_RNA) where: Base-Base interactions energy: -1107.050 where: short stacking energy: -510.301 Base-Backbone interact. energy: -1.553 local terms energy: -596.797772 where: bonds (distance) C4'-P energy: -113.115 bonds (distance) P-C4' energy: -124.884 flat angles C4'-P-C4' energy: -131.612 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -142.857 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: 50 Temperature: 1.050000 Total energy: -1557.128558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.128558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.128558 (E_RNA) where: Base-Base interactions energy: -1022.532 where: short stacking energy: -455.104 Base-Backbone interact. energy: -2.585 local terms energy: -532.011899 where: bonds (distance) C4'-P energy: -111.901 bonds (distance) P-C4' energy: -105.782 flat angles C4'-P-C4' energy: -115.847 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -117.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1396.320625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.320625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.320625 (E_RNA) where: Base-Base interactions energy: -852.176 where: short stacking energy: -427.619 Base-Backbone interact. energy: -4.021 local terms energy: -540.124233 where: bonds (distance) C4'-P energy: -125.388 bonds (distance) P-C4' energy: -125.117 flat angles C4'-P-C4' energy: -106.380 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -109.957 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: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1288.136260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.136260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.136260 (E_RNA) where: Base-Base interactions energy: -792.517 where: short stacking energy: -371.115 Base-Backbone interact. energy: -0.297 local terms energy: -495.322640 where: bonds (distance) C4'-P energy: -114.237 bonds (distance) P-C4' energy: -110.946 flat angles C4'-P-C4' energy: -113.034 flat angles P-C4'-P energy: -77.587 tors. eta vs tors. theta energy: -79.518 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: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1191.190266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.190266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.190266 (E_RNA) where: Base-Base interactions energy: -699.850 where: short stacking energy: -320.105 Base-Backbone interact. energy: -1.475 local terms energy: -489.864893 where: bonds (distance) C4'-P energy: -121.057 bonds (distance) P-C4' energy: -109.313 flat angles C4'-P-C4' energy: -111.647 flat angles P-C4'-P energy: -80.716 tors. eta vs tors. theta energy: -67.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -851.727041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.727041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.727041 (E_RNA) where: Base-Base interactions energy: -472.878 where: short stacking energy: -263.808 Base-Backbone interact. energy: 3.239 local terms energy: -382.087859 where: bonds (distance) C4'-P energy: -103.384 bonds (distance) P-C4' energy: -110.460 flat angles C4'-P-C4' energy: -92.966 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -16.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -800.559477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.559477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.559477 (E_RNA) where: Base-Base interactions energy: -429.972 where: short stacking energy: -237.480 Base-Backbone interact. energy: 2.457 local terms energy: -373.044240 where: bonds (distance) C4'-P energy: -89.147 bonds (distance) P-C4' energy: -119.371 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -56.731 tors. eta vs tors. theta energy: -22.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -494.043912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.043912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.043912 (E_RNA) where: Base-Base interactions energy: -193.678 where: short stacking energy: -158.892 Base-Backbone interact. energy: 8.061 local terms energy: -308.427114 where: bonds (distance) C4'-P energy: -102.566 bonds (distance) P-C4' energy: -108.360 flat angles C4'-P-C4' energy: -83.055 flat angles P-C4'-P energy: -27.120 tors. eta vs tors. theta energy: 12.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2002.918439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.918439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.918439 (E_RNA) where: Base-Base interactions energy: -1353.658 where: short stacking energy: -599.544 Base-Backbone interact. energy: -5.634 local terms energy: -643.626013 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -122.396 flat angles C4'-P-C4' energy: -140.140 flat angles P-C4'-P energy: -86.787 tors. eta vs tors. theta energy: -161.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1894.706005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.706005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.706005 (E_RNA) where: Base-Base interactions energy: -1270.871 where: short stacking energy: -561.852 Base-Backbone interact. energy: -1.590 local terms energy: -622.244977 where: bonds (distance) C4'-P energy: -121.677 bonds (distance) P-C4' energy: -120.933 flat angles C4'-P-C4' energy: -136.916 flat angles P-C4'-P energy: -94.296 tors. eta vs tors. theta energy: -148.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1718.843113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.843113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.843113 (E_RNA) where: Base-Base interactions energy: -1110.545 where: short stacking energy: -524.371 Base-Backbone interact. energy: -2.167 local terms energy: -606.130610 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -127.675 flat angles P-C4'-P energy: -78.756 tors. eta vs tors. theta energy: -138.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1594.637441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.637441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.637441 (E_RNA) where: Base-Base interactions energy: -1042.948 where: short stacking energy: -467.344 Base-Backbone interact. energy: -1.419 local terms energy: -550.269792 where: bonds (distance) C4'-P energy: -109.903 bonds (distance) P-C4' energy: -116.029 flat angles C4'-P-C4' energy: -128.181 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -116.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1388.267389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.267389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.267389 (E_RNA) where: Base-Base interactions energy: -866.039 where: short stacking energy: -381.475 Base-Backbone interact. energy: -1.616 local terms energy: -520.612669 where: bonds (distance) C4'-P energy: -107.836 bonds (distance) P-C4' energy: -123.945 flat angles C4'-P-C4' energy: -126.247 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -84.900 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: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1358.029516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.029516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.029516 (E_RNA) where: Base-Base interactions energy: -843.070 where: short stacking energy: -407.528 Base-Backbone interact. energy: 1.360 local terms energy: -516.319320 where: bonds (distance) C4'-P energy: -106.145 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -107.813 flat angles P-C4'-P energy: -76.998 tors. eta vs tors. theta energy: -98.508 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: 7, replica: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1186.183529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.183529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.183529 (E_RNA) where: Base-Base interactions energy: -722.460 where: short stacking energy: -345.273 Base-Backbone interact. energy: 1.168 local terms energy: -464.890561 where: bonds (distance) C4'-P energy: -103.633 bonds (distance) P-C4' energy: -113.201 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -58.267 tors. eta vs tors. theta energy: -80.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -900.016996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.016996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.016996 (E_RNA) where: Base-Base interactions energy: -507.628 where: short stacking energy: -279.764 Base-Backbone interact. energy: 0.095 local terms energy: -392.483328 where: bonds (distance) C4'-P energy: -105.268 bonds (distance) P-C4' energy: -113.569 flat angles C4'-P-C4' energy: -101.738 flat angles P-C4'-P energy: -52.076 tors. eta vs tors. theta energy: -19.833 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: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -790.711458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.711458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.711458 (E_RNA) where: Base-Base interactions energy: -401.510 where: short stacking energy: -240.348 Base-Backbone interact. energy: 1.977 local terms energy: -391.178483 where: bonds (distance) C4'-P energy: -89.220 bonds (distance) P-C4' energy: -105.158 flat angles C4'-P-C4' energy: -119.381 flat angles P-C4'-P energy: -48.700 tors. eta vs tors. theta energy: -28.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -493.451619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.451619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.451619 (E_RNA) where: Base-Base interactions energy: -171.478 where: short stacking energy: -144.209 Base-Backbone interact. energy: -4.043 local terms energy: -317.930835 where: bonds (distance) C4'-P energy: -98.878 bonds (distance) P-C4' energy: -93.999 flat angles C4'-P-C4' energy: -80.167 flat angles P-C4'-P energy: -52.207 tors. eta vs tors. theta energy: 7.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2010.338923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.338923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.338923 (E_RNA) where: Base-Base interactions energy: -1379.254 where: short stacking energy: -584.823 Base-Backbone interact. energy: -3.416 local terms energy: -627.668700 where: bonds (distance) C4'-P energy: -119.087 bonds (distance) P-C4' energy: -126.404 flat angles C4'-P-C4' energy: -127.248 flat angles P-C4'-P energy: -83.239 tors. eta vs tors. theta energy: -171.691 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: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1890.480346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.480346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.480346 (E_RNA) where: Base-Base interactions energy: -1258.038 where: short stacking energy: -545.008 Base-Backbone interact. energy: 1.384 local terms energy: -633.826185 where: bonds (distance) C4'-P energy: -128.346 bonds (distance) P-C4' energy: -133.826 flat angles C4'-P-C4' energy: -134.897 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -143.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1707.969015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.969015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.969015 (E_RNA) where: Base-Base interactions energy: -1102.563 where: short stacking energy: -516.694 Base-Backbone interact. energy: -0.427 local terms energy: -604.979150 where: bonds (distance) C4'-P energy: -125.769 bonds (distance) P-C4' energy: -125.598 flat angles C4'-P-C4' energy: -143.358 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -128.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1658.727928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.727928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.727928 (E_RNA) where: Base-Base interactions energy: -1072.700 where: short stacking energy: -474.539 Base-Backbone interact. energy: -2.057 local terms energy: -583.971184 where: bonds (distance) C4'-P energy: -119.003 bonds (distance) P-C4' energy: -120.634 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -91.787 tors. eta vs tors. theta energy: -117.962 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: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1411.550231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.550231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.550231 (E_RNA) where: Base-Base interactions energy: -913.388 where: short stacking energy: -426.047 Base-Backbone interact. energy: 1.555 local terms energy: -499.716778 where: bonds (distance) C4'-P energy: -119.198 bonds (distance) P-C4' energy: -111.499 flat angles C4'-P-C4' energy: -114.534 flat angles P-C4'-P energy: -50.509 tors. eta vs tors. theta energy: -103.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1319.702635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.702635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.702635 (E_RNA) where: Base-Base interactions energy: -807.537 where: short stacking energy: -391.737 Base-Backbone interact. energy: -3.669 local terms energy: -508.497267 where: bonds (distance) C4'-P energy: -103.020 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -119.103 flat angles P-C4'-P energy: -70.431 tors. eta vs tors. theta energy: -91.411 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: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1122.143331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.143331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.143331 (E_RNA) where: Base-Base interactions energy: -667.007 where: short stacking energy: -314.235 Base-Backbone interact. energy: 3.367 local terms energy: -458.503867 where: bonds (distance) C4'-P energy: -97.688 bonds (distance) P-C4' energy: -136.905 flat angles C4'-P-C4' energy: -109.710 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -55.218 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: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -997.547064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.547064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.547064 (E_RNA) where: Base-Base interactions energy: -573.790 where: short stacking energy: -272.791 Base-Backbone interact. energy: -0.646 local terms energy: -423.111038 where: bonds (distance) C4'-P energy: -97.126 bonds (distance) P-C4' energy: -118.933 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -38.479 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: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -749.788741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.788741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.788741 (E_RNA) where: Base-Base interactions energy: -402.342 where: short stacking energy: -244.969 Base-Backbone interact. energy: 6.235 local terms energy: -353.681122 where: bonds (distance) C4'-P energy: -97.807 bonds (distance) P-C4' energy: -117.760 flat angles C4'-P-C4' energy: -66.534 flat angles P-C4'-P energy: -56.518 tors. eta vs tors. theta energy: -15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -549.502242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.502242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.502242 (E_RNA) where: Base-Base interactions energy: -192.566 where: short stacking energy: -154.485 Base-Backbone interact. energy: -1.034 local terms energy: -355.902382 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -119.779 flat angles C4'-P-C4' energy: -74.795 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2005.499882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.499882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.499882 (E_RNA) where: Base-Base interactions energy: -1355.863 where: short stacking energy: -579.036 Base-Backbone interact. energy: -1.672 local terms energy: -647.964796 where: bonds (distance) C4'-P energy: -126.881 bonds (distance) P-C4' energy: -121.558 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -97.443 tors. eta vs tors. theta energy: -167.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1941.665200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.665200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.665200 (E_RNA) where: Base-Base interactions energy: -1326.548 where: short stacking energy: -556.201 Base-Backbone interact. energy: 2.701 local terms energy: -617.818409 where: bonds (distance) C4'-P energy: -123.870 bonds (distance) P-C4' energy: -125.757 flat angles C4'-P-C4' energy: -137.311 flat angles P-C4'-P energy: -85.416 tors. eta vs tors. theta energy: -145.464 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: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1744.452050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.452050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.452050 (E_RNA) where: Base-Base interactions energy: -1104.720 where: short stacking energy: -526.738 Base-Backbone interact. energy: -2.911 local terms energy: -636.820861 where: bonds (distance) C4'-P energy: -117.295 bonds (distance) P-C4' energy: -139.211 flat angles C4'-P-C4' energy: -140.747 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -150.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1643.729979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.729979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.729979 (E_RNA) where: Base-Base interactions energy: -1068.402 where: short stacking energy: -488.882 Base-Backbone interact. energy: -4.538 local terms energy: -570.789657 where: bonds (distance) C4'-P energy: -108.642 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -127.734 flat angles P-C4'-P energy: -86.277 tors. eta vs tors. theta energy: -136.048 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: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1503.930241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.930241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.930241 (E_RNA) where: Base-Base interactions energy: -977.507 where: short stacking energy: -467.166 Base-Backbone interact. energy: 3.542 local terms energy: -529.964700 where: bonds (distance) C4'-P energy: -104.941 bonds (distance) P-C4' energy: -120.149 flat angles C4'-P-C4' energy: -120.761 flat angles P-C4'-P energy: -68.122 tors. eta vs tors. theta energy: -115.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1252.132282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.132282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.132282 (E_RNA) where: Base-Base interactions energy: -775.424 where: short stacking energy: -387.376 Base-Backbone interact. energy: -1.483 local terms energy: -475.224975 where: bonds (distance) C4'-P energy: -110.111 bonds (distance) P-C4' energy: -99.784 flat angles C4'-P-C4' energy: -121.795 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -90.592 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: 53 Temperature: 1.200000 Total energy: -1125.923066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.923066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.923066 (E_RNA) where: Base-Base interactions energy: -679.895 where: short stacking energy: -332.335 Base-Backbone interact. energy: -0.650 local terms energy: -445.377519 where: bonds (distance) C4'-P energy: -108.788 bonds (distance) P-C4' energy: -108.059 flat angles C4'-P-C4' energy: -116.289 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: -56.364 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: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -931.093718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.093718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.093718 (E_RNA) where: Base-Base interactions energy: -534.100 where: short stacking energy: -286.619 Base-Backbone interact. energy: -1.709 local terms energy: -395.284339 where: bonds (distance) C4'-P energy: -105.148 bonds (distance) P-C4' energy: -104.113 flat angles C4'-P-C4' energy: -95.573 flat angles P-C4'-P energy: -59.234 tors. eta vs tors. theta energy: -31.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -704.607134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.607134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.607134 (E_RNA) where: Base-Base interactions energy: -344.802 where: short stacking energy: -211.341 Base-Backbone interact. energy: 2.076 local terms energy: -361.881456 where: bonds (distance) C4'-P energy: -109.872 bonds (distance) P-C4' energy: -107.198 flat angles C4'-P-C4' energy: -104.253 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: 5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -524.808459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.808459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.808459 (E_RNA) where: Base-Base interactions energy: -215.391 where: short stacking energy: -148.062 Base-Backbone interact. energy: 2.658 local terms energy: -312.075791 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -100.245 flat angles C4'-P-C4' energy: -104.934 flat angles P-C4'-P energy: -42.199 tors. eta vs tors. theta energy: 35.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1987.116058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.116058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.116058 (E_RNA) where: Base-Base interactions energy: -1336.181 where: short stacking energy: -597.293 Base-Backbone interact. energy: -4.804 local terms energy: -646.130565 where: bonds (distance) C4'-P energy: -124.156 bonds (distance) P-C4' energy: -121.626 flat angles C4'-P-C4' energy: -135.934 flat angles P-C4'-P energy: -94.340 tors. eta vs tors. theta energy: -170.074 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: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1926.816206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.816206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.816206 (E_RNA) where: Base-Base interactions energy: -1324.578 where: short stacking energy: -577.339 Base-Backbone interact. energy: -1.376 local terms energy: -600.862077 where: bonds (distance) C4'-P energy: -124.096 bonds (distance) P-C4' energy: -124.573 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -81.585 tors. eta vs tors. theta energy: -141.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1762.202609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.202609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.202609 (E_RNA) where: Base-Base interactions energy: -1136.941 where: short stacking energy: -536.830 Base-Backbone interact. energy: -1.709 local terms energy: -623.553261 where: bonds (distance) C4'-P energy: -114.694 bonds (distance) P-C4' energy: -125.948 flat angles C4'-P-C4' energy: -139.727 flat angles P-C4'-P energy: -93.696 tors. eta vs tors. theta energy: -149.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1636.250730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.250730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.250730 (E_RNA) where: Base-Base interactions energy: -1093.578 where: short stacking energy: -470.030 Base-Backbone interact. energy: 1.905 local terms energy: -544.577396 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -106.575 flat angles C4'-P-C4' energy: -124.751 flat angles P-C4'-P energy: -81.237 tors. eta vs tors. theta energy: -114.258 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: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1452.218431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.218431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.218431 (E_RNA) where: Base-Base interactions energy: -953.339 where: short stacking energy: -409.381 Base-Backbone interact. energy: -3.443 local terms energy: -495.436574 where: bonds (distance) C4'-P energy: -101.779 bonds (distance) P-C4' energy: -97.176 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -91.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1300.882651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.882651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.882651 (E_RNA) where: Base-Base interactions energy: -818.265 where: short stacking energy: -402.326 Base-Backbone interact. energy: 4.433 local terms energy: -487.051413 where: bonds (distance) C4'-P energy: -113.403 bonds (distance) P-C4' energy: -113.322 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: -80.773 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: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1125.917077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.917077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.917077 (E_RNA) where: Base-Base interactions energy: -678.697 where: short stacking energy: -344.964 Base-Backbone interact. energy: -2.589 local terms energy: -444.631176 where: bonds (distance) C4'-P energy: -97.670 bonds (distance) P-C4' energy: -113.220 flat angles C4'-P-C4' energy: -99.663 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -77.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -941.797890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.797890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.797890 (E_RNA) where: Base-Base interactions energy: -529.607 where: short stacking energy: -266.576 Base-Backbone interact. energy: 0.794 local terms energy: -412.984878 where: bonds (distance) C4'-P energy: -120.306 bonds (distance) P-C4' energy: -109.492 flat angles C4'-P-C4' energy: -99.389 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -31.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -726.142534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.142534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.142534 (E_RNA) where: Base-Base interactions energy: -344.068 where: short stacking energy: -176.646 Base-Backbone interact. energy: -2.914 local terms energy: -379.160527 where: bonds (distance) C4'-P energy: -98.668 bonds (distance) P-C4' energy: -123.631 flat angles C4'-P-C4' energy: -119.044 flat angles P-C4'-P energy: -49.808 tors. eta vs tors. theta energy: 11.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -568.628802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.628802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.628802 (E_RNA) where: Base-Base interactions energy: -236.452 where: short stacking energy: -161.346 Base-Backbone interact. energy: -0.282 local terms energy: -331.894445 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -116.622 flat angles C4'-P-C4' energy: -85.171 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: 16.685 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: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1981.744352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.744352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.744352 (E_RNA) where: Base-Base interactions energy: -1333.805 where: short stacking energy: -580.983 Base-Backbone interact. energy: -3.615 local terms energy: -644.324051 where: bonds (distance) C4'-P energy: -118.513 bonds (distance) P-C4' energy: -118.459 flat angles C4'-P-C4' energy: -139.855 flat angles P-C4'-P energy: -101.792 tors. eta vs tors. theta energy: -165.705 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: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1906.353774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.353774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.353774 (E_RNA) where: Base-Base interactions energy: -1284.563 where: short stacking energy: -540.895 Base-Backbone interact. energy: -1.348 local terms energy: -620.443052 where: bonds (distance) C4'-P energy: -117.729 bonds (distance) P-C4' energy: -131.709 flat angles C4'-P-C4' energy: -141.378 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: -153.857 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: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1753.380116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.380116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.380116 (E_RNA) where: Base-Base interactions energy: -1161.876 where: short stacking energy: -525.350 Base-Backbone interact. energy: -2.668 local terms energy: -588.835928 where: bonds (distance) C4'-P energy: -107.573 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -121.990 flat angles P-C4'-P energy: -91.814 tors. eta vs tors. theta energy: -141.356 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: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1685.625916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.625916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.625916 (E_RNA) where: Base-Base interactions energy: -1100.409 where: short stacking energy: -479.905 Base-Backbone interact. energy: 1.244 local terms energy: -586.460733 where: bonds (distance) C4'-P energy: -119.257 bonds (distance) P-C4' energy: -126.552 flat angles C4'-P-C4' energy: -123.858 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -123.799 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: 5, replica: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1479.154060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.154060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.154060 (E_RNA) where: Base-Base interactions energy: -928.461 where: short stacking energy: -415.054 Base-Backbone interact. energy: -2.541 local terms energy: -548.152707 where: bonds (distance) C4'-P energy: -110.563 bonds (distance) P-C4' energy: -117.715 flat angles C4'-P-C4' energy: -144.857 flat angles P-C4'-P energy: -80.198 tors. eta vs tors. theta energy: -94.819 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: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1304.721543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.721543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.721543 (E_RNA) where: Base-Base interactions energy: -817.746 where: short stacking energy: -373.555 Base-Backbone interact. energy: -0.000 local terms energy: -486.975572 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -111.955 flat angles C4'-P-C4' energy: -110.672 flat angles P-C4'-P energy: -64.312 tors. eta vs tors. theta energy: -89.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1103.875061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.875061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.875061 (E_RNA) where: Base-Base interactions energy: -662.070 where: short stacking energy: -335.214 Base-Backbone interact. energy: 5.495 local terms energy: -447.300748 where: bonds (distance) C4'-P energy: -113.604 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -110.969 flat angles P-C4'-P energy: -60.457 tors. eta vs tors. theta energy: -62.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -930.722258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.722258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.722258 (E_RNA) where: Base-Base interactions energy: -566.146 where: short stacking energy: -285.967 Base-Backbone interact. energy: -2.044 local terms energy: -362.532885 where: bonds (distance) C4'-P energy: -83.298 bonds (distance) P-C4' energy: -102.873 flat angles C4'-P-C4' energy: -81.252 flat angles P-C4'-P energy: -71.077 tors. eta vs tors. theta energy: -24.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -729.835256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.835256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.835256 (E_RNA) where: Base-Base interactions energy: -368.480 where: short stacking energy: -203.824 Base-Backbone interact. energy: -2.161 local terms energy: -359.194719 where: bonds (distance) C4'-P energy: -92.623 bonds (distance) P-C4' energy: -99.889 flat angles C4'-P-C4' energy: -101.556 flat angles P-C4'-P energy: -62.031 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: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -582.897764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.897764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.897764 (E_RNA) where: Base-Base interactions energy: -248.788 where: short stacking energy: -152.162 Base-Backbone interact. energy: 3.495 local terms energy: -337.605571 where: bonds (distance) C4'-P energy: -109.624 bonds (distance) P-C4' energy: -101.777 flat angles C4'-P-C4' energy: -90.160 flat angles P-C4'-P energy: -50.569 tors. eta vs tors. theta energy: 14.525 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1975.040655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.040655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.040655 (E_RNA) where: Base-Base interactions energy: -1307.054 where: short stacking energy: -568.580 Base-Backbone interact. energy: -4.661 local terms energy: -663.326027 where: bonds (distance) C4'-P energy: -116.554 bonds (distance) P-C4' energy: -139.518 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -163.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1911.329753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.329753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.329753 (E_RNA) where: Base-Base interactions energy: -1291.865 where: short stacking energy: -520.939 Base-Backbone interact. energy: -2.215 local terms energy: -617.249767 where: bonds (distance) C4'-P energy: -129.175 bonds (distance) P-C4' energy: -124.372 flat angles C4'-P-C4' energy: -130.133 flat angles P-C4'-P energy: -79.734 tors. eta vs tors. theta energy: -153.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1744.330852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.330852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.330852 (E_RNA) where: Base-Base interactions energy: -1162.021 where: short stacking energy: -524.347 Base-Backbone interact. energy: -2.805 local terms energy: -579.505334 where: bonds (distance) C4'-P energy: -100.744 bonds (distance) P-C4' energy: -126.832 flat angles C4'-P-C4' energy: -137.256 flat angles P-C4'-P energy: -84.530 tors. eta vs tors. theta energy: -130.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1643.261753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.261753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.261753 (E_RNA) where: Base-Base interactions energy: -1092.476 where: short stacking energy: -510.349 Base-Backbone interact. energy: -2.051 local terms energy: -548.735634 where: bonds (distance) C4'-P energy: -99.478 bonds (distance) P-C4' energy: -101.985 flat angles C4'-P-C4' energy: -127.158 flat angles P-C4'-P energy: -80.922 tors. eta vs tors. theta energy: -139.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1515.682377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.682377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.682377 (E_RNA) where: Base-Base interactions energy: -998.992 where: short stacking energy: -443.874 Base-Backbone interact. energy: -1.704 local terms energy: -514.987039 where: bonds (distance) C4'-P energy: -99.943 bonds (distance) P-C4' energy: -121.476 flat angles C4'-P-C4' energy: -120.214 flat angles P-C4'-P energy: -66.299 tors. eta vs tors. theta energy: -107.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1292.959129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.959129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.959129 (E_RNA) where: Base-Base interactions energy: -784.495 where: short stacking energy: -398.190 Base-Backbone interact. energy: -1.393 local terms energy: -507.070597 where: bonds (distance) C4'-P energy: -109.814 bonds (distance) P-C4' energy: -115.414 flat angles C4'-P-C4' energy: -107.010 flat angles P-C4'-P energy: -73.405 tors. eta vs tors. theta energy: -101.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1138.415288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.415288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.415288 (E_RNA) where: Base-Base interactions energy: -661.881 where: short stacking energy: -337.642 Base-Backbone interact. energy: 0.290 local terms energy: -476.824371 where: bonds (distance) C4'-P energy: -110.144 bonds (distance) P-C4' energy: -107.745 flat angles C4'-P-C4' energy: -119.851 flat angles P-C4'-P energy: -79.342 tors. eta vs tors. theta energy: -59.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -982.795493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.795493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.795493 (E_RNA) where: Base-Base interactions energy: -557.866 where: short stacking energy: -298.708 Base-Backbone interact. energy: -0.566 local terms energy: -424.363908 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -104.150 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -80.574 tors. eta vs tors. theta energy: -38.874 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: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -692.940774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.940774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.940774 (E_RNA) where: Base-Base interactions energy: -330.029 where: short stacking energy: -195.047 Base-Backbone interact. energy: -1.582 local terms energy: -361.330056 where: bonds (distance) C4'-P energy: -91.159 bonds (distance) P-C4' energy: -123.237 flat angles C4'-P-C4' energy: -94.919 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -580.185681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.185681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.185681 (E_RNA) where: Base-Base interactions energy: -247.674 where: short stacking energy: -161.262 Base-Backbone interact. energy: -1.499 local terms energy: -331.012642 where: bonds (distance) C4'-P energy: -96.674 bonds (distance) P-C4' energy: -98.785 flat angles C4'-P-C4' energy: -80.884 flat angles P-C4'-P energy: -52.709 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1969.271366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.271366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.271366 (E_RNA) where: Base-Base interactions energy: -1305.682 where: short stacking energy: -600.436 Base-Backbone interact. energy: -6.341 local terms energy: -657.248376 where: bonds (distance) C4'-P energy: -121.314 bonds (distance) P-C4' energy: -131.177 flat angles C4'-P-C4' energy: -136.801 flat angles P-C4'-P energy: -97.154 tors. eta vs tors. theta energy: -170.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1918.692385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.692385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.692385 (E_RNA) where: Base-Base interactions energy: -1266.387 where: short stacking energy: -555.569 Base-Backbone interact. energy: -3.304 local terms energy: -649.001717 where: bonds (distance) C4'-P energy: -135.698 bonds (distance) P-C4' energy: -136.736 flat angles C4'-P-C4' energy: -138.414 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -140.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1746.269667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.269667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.269667 (E_RNA) where: Base-Base interactions energy: -1159.075 where: short stacking energy: -556.302 Base-Backbone interact. energy: -1.466 local terms energy: -585.728141 where: bonds (distance) C4'-P energy: -102.023 bonds (distance) P-C4' energy: -125.597 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -79.854 tors. eta vs tors. theta energy: -148.887 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: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1638.392137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.392137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.392137 (E_RNA) where: Base-Base interactions energy: -1056.592 where: short stacking energy: -475.587 Base-Backbone interact. energy: -0.887 local terms energy: -580.913697 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -118.372 flat angles C4'-P-C4' energy: -139.164 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: -133.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1410.341781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.341781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.341781 (E_RNA) where: Base-Base interactions energy: -884.114 where: short stacking energy: -428.648 Base-Backbone interact. energy: -2.341 local terms energy: -523.886840 where: bonds (distance) C4'-P energy: -123.309 bonds (distance) P-C4' energy: -124.584 flat angles C4'-P-C4' energy: -120.605 flat angles P-C4'-P energy: -65.566 tors. eta vs tors. theta energy: -89.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1232.751891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.751891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.751891 (E_RNA) where: Base-Base interactions energy: -753.836 where: short stacking energy: -378.377 Base-Backbone interact. energy: 2.991 local terms energy: -481.906856 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -102.163 flat angles C4'-P-C4' energy: -113.424 flat angles P-C4'-P energy: -75.487 tors. eta vs tors. theta energy: -84.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1168.248326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.248326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.248326 (E_RNA) where: Base-Base interactions energy: -689.654 where: short stacking energy: -331.760 Base-Backbone interact. energy: 1.898 local terms energy: -480.491981 where: bonds (distance) C4'-P energy: -110.514 bonds (distance) P-C4' energy: -130.545 flat angles C4'-P-C4' energy: -116.636 flat angles P-C4'-P energy: -56.197 tors. eta vs tors. theta energy: -66.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -885.537483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.537483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.537483 (E_RNA) where: Base-Base interactions energy: -462.455 where: short stacking energy: -220.762 Base-Backbone interact. energy: -1.346 local terms energy: -421.736602 where: bonds (distance) C4'-P energy: -105.640 bonds (distance) P-C4' energy: -134.887 flat angles C4'-P-C4' energy: -95.668 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: -20.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -678.825133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.825133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.825133 (E_RNA) where: Base-Base interactions energy: -335.125 where: short stacking energy: -217.057 Base-Backbone interact. energy: -2.366 local terms energy: -341.334304 where: bonds (distance) C4'-P energy: -102.071 bonds (distance) P-C4' energy: -100.191 flat angles C4'-P-C4' energy: -77.413 flat angles P-C4'-P energy: -48.698 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -553.339701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.339701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.339701 (E_RNA) where: Base-Base interactions energy: -209.133 where: short stacking energy: -147.196 Base-Backbone interact. energy: 0.377 local terms energy: -344.583649 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -109.448 flat angles C4'-P-C4' energy: -85.222 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: 20.564 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: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1962.198754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.198754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.198754 (E_RNA) where: Base-Base interactions energy: -1337.547 where: short stacking energy: -599.285 Base-Backbone interact. energy: -5.556 local terms energy: -619.094982 where: bonds (distance) C4'-P energy: -119.547 bonds (distance) P-C4' energy: -122.616 flat angles C4'-P-C4' energy: -140.474 flat angles P-C4'-P energy: -82.708 tors. eta vs tors. theta energy: -153.750 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: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1921.124351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.124351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.124351 (E_RNA) where: Base-Base interactions energy: -1325.042 where: short stacking energy: -538.900 Base-Backbone interact. energy: 4.933 local terms energy: -601.014601 where: bonds (distance) C4'-P energy: -122.799 bonds (distance) P-C4' energy: -125.992 flat angles C4'-P-C4' energy: -128.612 flat angles P-C4'-P energy: -86.755 tors. eta vs tors. theta energy: -136.857 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: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1760.149202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.149202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.149202 (E_RNA) where: Base-Base interactions energy: -1176.229 where: short stacking energy: -479.727 Base-Backbone interact. energy: -1.133 local terms energy: -582.787049 where: bonds (distance) C4'-P energy: -119.815 bonds (distance) P-C4' energy: -121.542 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -88.349 tors. eta vs tors. theta energy: -120.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1651.715222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.715222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.715222 (E_RNA) where: Base-Base interactions energy: -1072.127 where: short stacking energy: -507.114 Base-Backbone interact. energy: -4.094 local terms energy: -575.494061 where: bonds (distance) C4'-P energy: -104.556 bonds (distance) P-C4' energy: -113.388 flat angles C4'-P-C4' energy: -135.804 flat angles P-C4'-P energy: -75.507 tors. eta vs tors. theta energy: -146.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1500.886778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.886778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.886778 (E_RNA) where: Base-Base interactions energy: -1003.516 where: short stacking energy: -456.140 Base-Backbone interact. energy: 2.618 local terms energy: -499.988473 where: bonds (distance) C4'-P energy: -111.390 bonds (distance) P-C4' energy: -96.117 flat angles C4'-P-C4' energy: -124.291 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -93.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1219.755135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.755135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.755135 (E_RNA) where: Base-Base interactions energy: -729.706 where: short stacking energy: -358.513 Base-Backbone interact. energy: -1.542 local terms energy: -488.507327 where: bonds (distance) C4'-P energy: -108.951 bonds (distance) P-C4' energy: -128.741 flat angles C4'-P-C4' energy: -103.019 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -83.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1152.640032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.640032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.640032 (E_RNA) where: Base-Base interactions energy: -694.306 where: short stacking energy: -353.354 Base-Backbone interact. energy: -0.409 local terms energy: -457.925598 where: bonds (distance) C4'-P energy: -107.114 bonds (distance) P-C4' energy: -113.316 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -76.288 tors. eta vs tors. theta energy: -61.921 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: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -850.404624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.404624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.404624 (E_RNA) where: Base-Base interactions energy: -480.392 where: short stacking energy: -252.846 Base-Backbone interact. energy: 4.875 local terms energy: -374.887032 where: bonds (distance) C4'-P energy: -83.908 bonds (distance) P-C4' energy: -102.161 flat angles C4'-P-C4' energy: -104.750 flat angles P-C4'-P energy: -69.267 tors. eta vs tors. theta energy: -14.801 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: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -724.760666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.760666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.760666 (E_RNA) where: Base-Base interactions energy: -362.085 where: short stacking energy: -218.088 Base-Backbone interact. energy: 2.752 local terms energy: -365.427734 where: bonds (distance) C4'-P energy: -90.536 bonds (distance) P-C4' energy: -112.628 flat angles C4'-P-C4' energy: -103.969 flat angles P-C4'-P energy: -47.575 tors. eta vs tors. theta energy: -10.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -555.946484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.946484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.946484 (E_RNA) where: Base-Base interactions energy: -216.349 where: short stacking energy: -150.580 Base-Backbone interact. energy: 1.113 local terms energy: -340.710396 where: bonds (distance) C4'-P energy: -106.060 bonds (distance) P-C4' energy: -97.269 flat angles C4'-P-C4' energy: -90.419 flat angles P-C4'-P energy: -43.710 tors. eta vs tors. theta energy: -3.251 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: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1958.183332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.183332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.183332 (E_RNA) where: Base-Base interactions energy: -1303.256 where: short stacking energy: -579.509 Base-Backbone interact. energy: -6.381 local terms energy: -648.546324 where: bonds (distance) C4'-P energy: -127.507 bonds (distance) P-C4' energy: -123.062 flat angles C4'-P-C4' energy: -147.415 flat angles P-C4'-P energy: -89.874 tors. eta vs tors. theta energy: -160.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1925.441985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.441985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.441985 (E_RNA) where: Base-Base interactions energy: -1325.142 where: short stacking energy: -567.400 Base-Backbone interact. energy: -2.890 local terms energy: -597.410198 where: bonds (distance) C4'-P energy: -120.231 bonds (distance) P-C4' energy: -119.458 flat angles C4'-P-C4' energy: -135.281 flat angles P-C4'-P energy: -74.201 tors. eta vs tors. theta energy: -148.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1754.204906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.204906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.204906 (E_RNA) where: Base-Base interactions energy: -1175.872 where: short stacking energy: -498.318 Base-Backbone interact. energy: -5.760 local terms energy: -572.572657 where: bonds (distance) C4'-P energy: -106.596 bonds (distance) P-C4' energy: -119.652 flat angles C4'-P-C4' energy: -130.259 flat angles P-C4'-P energy: -87.448 tors. eta vs tors. theta energy: -128.617 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: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1657.787881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.787881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.787881 (E_RNA) where: Base-Base interactions energy: -1077.422 where: short stacking energy: -498.462 Base-Backbone interact. energy: -2.605 local terms energy: -577.760881 where: bonds (distance) C4'-P energy: -106.971 bonds (distance) P-C4' energy: -124.424 flat angles C4'-P-C4' energy: -129.202 flat angles P-C4'-P energy: -75.634 tors. eta vs tors. theta energy: -141.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1568.610600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.610600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.610600 (E_RNA) where: Base-Base interactions energy: -1037.444 where: short stacking energy: -439.936 Base-Backbone interact. energy: -1.410 local terms energy: -529.756310 where: bonds (distance) C4'-P energy: -117.603 bonds (distance) P-C4' energy: -108.285 flat angles C4'-P-C4' energy: -119.555 flat angles P-C4'-P energy: -80.549 tors. eta vs tors. theta energy: -103.765 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: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1206.633827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.633827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.633827 (E_RNA) where: Base-Base interactions energy: -726.872 where: short stacking energy: -336.119 Base-Backbone interact. energy: -1.047 local terms energy: -478.714815 where: bonds (distance) C4'-P energy: -110.874 bonds (distance) P-C4' energy: -126.845 flat angles C4'-P-C4' energy: -103.586 flat angles P-C4'-P energy: -69.270 tors. eta vs tors. theta energy: -68.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1140.059544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.059544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.059544 (E_RNA) where: Base-Base interactions energy: -694.619 where: short stacking energy: -327.448 Base-Backbone interact. energy: -2.470 local terms energy: -442.969843 where: bonds (distance) C4'-P energy: -104.820 bonds (distance) P-C4' energy: -102.321 flat angles C4'-P-C4' energy: -104.171 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -69.660 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: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -866.939835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.939835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.939835 (E_RNA) where: Base-Base interactions energy: -450.434 where: short stacking energy: -263.192 Base-Backbone interact. energy: 3.626 local terms energy: -420.131704 where: bonds (distance) C4'-P energy: -106.953 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -101.351 flat angles P-C4'-P energy: -66.676 tors. eta vs tors. theta energy: -27.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -686.451969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.451969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.451969 (E_RNA) where: Base-Base interactions energy: -329.850 where: short stacking energy: -175.805 Base-Backbone interact. energy: 0.673 local terms energy: -357.275011 where: bonds (distance) C4'-P energy: -107.994 bonds (distance) P-C4' energy: -96.319 flat angles C4'-P-C4' energy: -105.035 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: 7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -561.208182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.208182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.208182 (E_RNA) where: Base-Base interactions energy: -237.183 where: short stacking energy: -167.653 Base-Backbone interact. energy: 8.077 local terms energy: -332.102429 where: bonds (distance) C4'-P energy: -86.650 bonds (distance) P-C4' energy: -125.104 flat angles C4'-P-C4' energy: -88.811 flat angles P-C4'-P energy: -55.260 tors. eta vs tors. theta energy: 23.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1971.124815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.124815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.124815 (E_RNA) where: Base-Base interactions energy: -1346.970 where: short stacking energy: -583.981 Base-Backbone interact. energy: -2.849 local terms energy: -621.305209 where: bonds (distance) C4'-P energy: -110.572 bonds (distance) P-C4' energy: -132.210 flat angles C4'-P-C4' energy: -138.994 flat angles P-C4'-P energy: -92.523 tors. eta vs tors. theta energy: -147.006 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: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1931.937865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.937865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.937865 (E_RNA) where: Base-Base interactions energy: -1309.405 where: short stacking energy: -543.079 Base-Backbone interact. energy: -5.376 local terms energy: -617.157271 where: bonds (distance) C4'-P energy: -118.937 bonds (distance) P-C4' energy: -128.946 flat angles C4'-P-C4' energy: -135.263 flat angles P-C4'-P energy: -94.218 tors. eta vs tors. theta energy: -139.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1692.540383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.540383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.540383 (E_RNA) where: Base-Base interactions energy: -1122.905 where: short stacking energy: -524.103 Base-Backbone interact. energy: -3.977 local terms energy: -565.658833 where: bonds (distance) C4'-P energy: -109.027 bonds (distance) P-C4' energy: -127.443 flat angles C4'-P-C4' energy: -114.759 flat angles P-C4'-P energy: -82.545 tors. eta vs tors. theta energy: -131.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1658.026391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.026391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.026391 (E_RNA) where: Base-Base interactions energy: -1113.534 where: short stacking energy: -475.092 Base-Backbone interact. energy: 1.403 local terms energy: -545.895700 where: bonds (distance) C4'-P energy: -94.162 bonds (distance) P-C4' energy: -125.978 flat angles C4'-P-C4' energy: -130.252 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: -128.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1544.062525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.062525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.062525 (E_RNA) where: Base-Base interactions energy: -1024.939 where: short stacking energy: -422.111 Base-Backbone interact. energy: -4.092 local terms energy: -515.032019 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -91.977 flat angles C4'-P-C4' energy: -120.000 flat angles P-C4'-P energy: -69.360 tors. eta vs tors. theta energy: -117.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1206.903649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.903649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.903649 (E_RNA) where: Base-Base interactions energy: -701.261 where: short stacking energy: -401.490 Base-Backbone interact. energy: -3.717 local terms energy: -501.925204 where: bonds (distance) C4'-P energy: -120.066 bonds (distance) P-C4' energy: -107.047 flat angles C4'-P-C4' energy: -113.738 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: -89.511 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: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1128.610003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.610003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.610003 (E_RNA) where: Base-Base interactions energy: -697.742 where: short stacking energy: -339.526 Base-Backbone interact. energy: 1.397 local terms energy: -432.265156 where: bonds (distance) C4'-P energy: -105.649 bonds (distance) P-C4' energy: -85.684 flat angles C4'-P-C4' energy: -115.147 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -69.477 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: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -873.913633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.913633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.913633 (E_RNA) where: Base-Base interactions energy: -458.522 where: short stacking energy: -224.619 Base-Backbone interact. energy: 2.829 local terms energy: -418.221103 where: bonds (distance) C4'-P energy: -122.523 bonds (distance) P-C4' energy: -100.242 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -57.171 tors. eta vs tors. theta energy: -27.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -678.849002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.849002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.849002 (E_RNA) where: Base-Base interactions energy: -338.110 where: short stacking energy: -204.489 Base-Backbone interact. energy: -0.548 local terms energy: -340.190138 where: bonds (distance) C4'-P energy: -102.065 bonds (distance) P-C4' energy: -89.435 flat angles C4'-P-C4' energy: -79.307 flat angles P-C4'-P energy: -76.496 tors. eta vs tors. theta energy: 7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -556.205154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.205154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.205154 (E_RNA) where: Base-Base interactions energy: -227.710 where: short stacking energy: -130.000 Base-Backbone interact. energy: 1.735 local terms energy: -330.230856 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -113.080 flat angles C4'-P-C4' energy: -88.914 flat angles P-C4'-P energy: -58.636 tors. eta vs tors. theta energy: 34.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1992.580480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.580480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.580480 (E_RNA) where: Base-Base interactions energy: -1355.078 where: short stacking energy: -586.501 Base-Backbone interact. energy: -0.564 local terms energy: -636.938608 where: bonds (distance) C4'-P energy: -129.538 bonds (distance) P-C4' energy: -124.673 flat angles C4'-P-C4' energy: -145.856 flat angles P-C4'-P energy: -85.663 tors. eta vs tors. theta energy: -151.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1914.629364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.629364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.629364 (E_RNA) where: Base-Base interactions energy: -1308.204 where: short stacking energy: -551.848 Base-Backbone interact. energy: -6.267 local terms energy: -600.158600 where: bonds (distance) C4'-P energy: -109.488 bonds (distance) P-C4' energy: -121.910 flat angles C4'-P-C4' energy: -137.405 flat angles P-C4'-P energy: -81.110 tors. eta vs tors. theta energy: -150.245 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: 3, replica: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1784.010654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.010654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.010654 (E_RNA) where: Base-Base interactions energy: -1120.997 where: short stacking energy: -514.125 Base-Backbone interact. energy: -2.145 local terms energy: -660.868538 where: bonds (distance) C4'-P energy: -128.213 bonds (distance) P-C4' energy: -138.626 flat angles C4'-P-C4' energy: -142.330 flat angles P-C4'-P energy: -102.704 tors. eta vs tors. theta energy: -148.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1671.334605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.334605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.334605 (E_RNA) where: Base-Base interactions energy: -1087.340 where: short stacking energy: -518.895 Base-Backbone interact. energy: -1.730 local terms energy: -582.264332 where: bonds (distance) C4'-P energy: -113.744 bonds (distance) P-C4' energy: -119.783 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -88.226 tors. eta vs tors. theta energy: -139.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1599.886727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.886727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.886727 (E_RNA) where: Base-Base interactions energy: -1052.064 where: short stacking energy: -446.358 Base-Backbone interact. energy: 2.365 local terms energy: -550.187731 where: bonds (distance) C4'-P energy: -109.639 bonds (distance) P-C4' energy: -112.242 flat angles C4'-P-C4' energy: -138.412 flat angles P-C4'-P energy: -78.894 tors. eta vs tors. theta energy: -111.000 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: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1144.795014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.795014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.795014 (E_RNA) where: Base-Base interactions energy: -691.440 where: short stacking energy: -305.171 Base-Backbone interact. energy: -0.958 local terms energy: -452.396720 where: bonds (distance) C4'-P energy: -128.817 bonds (distance) P-C4' energy: -120.924 flat angles C4'-P-C4' energy: -92.860 flat angles P-C4'-P energy: -61.898 tors. eta vs tors. theta energy: -47.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1149.242698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.242698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.242698 (E_RNA) where: Base-Base interactions energy: -673.151 where: short stacking energy: -345.875 Base-Backbone interact. energy: -0.454 local terms energy: -475.636959 where: bonds (distance) C4'-P energy: -110.253 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -113.789 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: -58.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -856.040865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.040865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.040865 (E_RNA) where: Base-Base interactions energy: -439.821 where: short stacking energy: -271.681 Base-Backbone interact. energy: -1.570 local terms energy: -414.650288 where: bonds (distance) C4'-P energy: -99.834 bonds (distance) P-C4' energy: -125.430 flat angles C4'-P-C4' energy: -87.456 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -37.377 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: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -697.061860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.061860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.061860 (E_RNA) where: Base-Base interactions energy: -325.049 where: short stacking energy: -207.836 Base-Backbone interact. energy: -0.953 local terms energy: -371.059788 where: bonds (distance) C4'-P energy: -90.822 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -103.355 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -6.017 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: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -581.535327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.535327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.535327 (E_RNA) where: Base-Base interactions energy: -230.691 where: short stacking energy: -166.136 Base-Backbone interact. energy: 4.164 local terms energy: -355.008489 where: bonds (distance) C4'-P energy: -96.801 bonds (distance) P-C4' energy: -107.390 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -59.974 tors. eta vs tors. theta energy: -0.405 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: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1959.214214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.214214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.214214 (E_RNA) where: Base-Base interactions energy: -1333.473 where: short stacking energy: -596.166 Base-Backbone interact. energy: -2.480 local terms energy: -623.261269 where: bonds (distance) C4'-P energy: -115.599 bonds (distance) P-C4' energy: -119.753 flat angles C4'-P-C4' energy: -144.128 flat angles P-C4'-P energy: -92.072 tors. eta vs tors. theta energy: -151.708 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: 62 Temperature: 0.950000 Total energy: -1947.539173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.539173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.539173 (E_RNA) where: Base-Base interactions energy: -1310.695 where: short stacking energy: -551.495 Base-Backbone interact. energy: -3.544 local terms energy: -633.299675 where: bonds (distance) C4'-P energy: -114.844 bonds (distance) P-C4' energy: -130.992 flat angles C4'-P-C4' energy: -145.912 flat angles P-C4'-P energy: -87.212 tors. eta vs tors. theta energy: -154.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1734.281664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.281664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.281664 (E_RNA) where: Base-Base interactions energy: -1138.223 where: short stacking energy: -527.109 Base-Backbone interact. energy: -5.121 local terms energy: -590.937646 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -133.189 flat angles C4'-P-C4' energy: -130.748 flat angles P-C4'-P energy: -87.034 tors. eta vs tors. theta energy: -135.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1722.810721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.810721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.810721 (E_RNA) where: Base-Base interactions energy: -1147.289 where: short stacking energy: -534.766 Base-Backbone interact. energy: -0.717 local terms energy: -574.804006 where: bonds (distance) C4'-P energy: -123.421 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -119.115 flat angles P-C4'-P energy: -74.443 tors. eta vs tors. theta energy: -149.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1559.785756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.785756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.785756 (E_RNA) where: Base-Base interactions energy: -1032.367 where: short stacking energy: -468.370 Base-Backbone interact. energy: -0.440 local terms energy: -526.979211 where: bonds (distance) C4'-P energy: -97.627 bonds (distance) P-C4' energy: -118.844 flat angles C4'-P-C4' energy: -124.630 flat angles P-C4'-P energy: -84.607 tors. eta vs tors. theta energy: -101.271 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: 62 Temperature: 1.150000 Total energy: -1170.771957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.771957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.771957 (E_RNA) where: Base-Base interactions energy: -714.206 where: short stacking energy: -352.126 Base-Backbone interact. energy: -0.893 local terms energy: -455.673142 where: bonds (distance) C4'-P energy: -112.357 bonds (distance) P-C4' energy: -100.911 flat angles C4'-P-C4' energy: -116.371 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -67.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1143.556254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.556254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.556254 (E_RNA) where: Base-Base interactions energy: -688.899 where: short stacking energy: -332.893 Base-Backbone interact. energy: -1.478 local terms energy: -453.179432 where: bonds (distance) C4'-P energy: -112.389 bonds (distance) P-C4' energy: -100.272 flat angles C4'-P-C4' energy: -120.385 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -43.006 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: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -854.816496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.816496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.816496 (E_RNA) where: Base-Base interactions energy: -451.880 where: short stacking energy: -265.336 Base-Backbone interact. energy: -2.791 local terms energy: -400.145683 where: bonds (distance) C4'-P energy: -99.881 bonds (distance) P-C4' energy: -99.471 flat angles C4'-P-C4' energy: -109.748 flat angles P-C4'-P energy: -66.212 tors. eta vs tors. theta energy: -24.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -710.437206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.437206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.437206 (E_RNA) where: Base-Base interactions energy: -343.608 where: short stacking energy: -225.004 Base-Backbone interact. energy: 1.615 local terms energy: -368.444542 where: bonds (distance) C4'-P energy: -107.183 bonds (distance) P-C4' energy: -97.621 flat angles C4'-P-C4' energy: -94.076 flat angles P-C4'-P energy: -55.355 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -520.895329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.895329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.895329 (E_RNA) where: Base-Base interactions energy: -201.685 where: short stacking energy: -142.660 Base-Backbone interact. energy: 0.735 local terms energy: -319.945414 where: bonds (distance) C4'-P energy: -102.878 bonds (distance) P-C4' energy: -124.748 flat angles C4'-P-C4' energy: -81.656 flat angles P-C4'-P energy: -50.846 tors. eta vs tors. theta energy: 40.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1989.422639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.422639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.422639 (E_RNA) where: Base-Base interactions energy: -1386.698 where: short stacking energy: -603.038 Base-Backbone interact. energy: -0.532 local terms energy: -602.192841 where: bonds (distance) C4'-P energy: -109.645 bonds (distance) P-C4' energy: -122.472 flat angles C4'-P-C4' energy: -137.036 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -150.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1978.820903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.820903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.820903 (E_RNA) where: Base-Base interactions energy: -1359.780 where: short stacking energy: -572.713 Base-Backbone interact. energy: -1.937 local terms energy: -617.104746 where: bonds (distance) C4'-P energy: -123.985 bonds (distance) P-C4' energy: -119.434 flat angles C4'-P-C4' energy: -139.398 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -143.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1771.701730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.701730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.701730 (E_RNA) where: Base-Base interactions energy: -1171.065 where: short stacking energy: -520.033 Base-Backbone interact. energy: -3.671 local terms energy: -596.966521 where: bonds (distance) C4'-P energy: -117.472 bonds (distance) P-C4' energy: -120.612 flat angles C4'-P-C4' energy: -138.063 flat angles P-C4'-P energy: -86.780 tors. eta vs tors. theta energy: -134.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1696.672441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.672441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.672441 (E_RNA) where: Base-Base interactions energy: -1070.916 where: short stacking energy: -479.337 Base-Backbone interact. energy: -1.241 local terms energy: -624.514891 where: bonds (distance) C4'-P energy: -107.538 bonds (distance) P-C4' energy: -131.102 flat angles C4'-P-C4' energy: -136.794 flat angles P-C4'-P energy: -89.556 tors. eta vs tors. theta energy: -159.525 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: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1567.729273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.729273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.729273 (E_RNA) where: Base-Base interactions energy: -1030.025 where: short stacking energy: -462.385 Base-Backbone interact. energy: 1.827 local terms energy: -539.531518 where: bonds (distance) C4'-P energy: -116.219 bonds (distance) P-C4' energy: -106.929 flat angles C4'-P-C4' energy: -127.256 flat angles P-C4'-P energy: -83.592 tors. eta vs tors. theta energy: -105.535 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: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1245.827090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.827090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.827090 (E_RNA) where: Base-Base interactions energy: -771.400 where: short stacking energy: -383.782 Base-Backbone interact. energy: 0.369 local terms energy: -474.796087 where: bonds (distance) C4'-P energy: -101.933 bonds (distance) P-C4' energy: -101.668 flat angles C4'-P-C4' energy: -104.497 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -86.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1230.705340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.705340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.705340 (E_RNA) where: Base-Base interactions energy: -776.495 where: short stacking energy: -335.733 Base-Backbone interact. energy: 0.404 local terms energy: -454.613878 where: bonds (distance) C4'-P energy: -103.764 bonds (distance) P-C4' energy: -110.433 flat angles C4'-P-C4' energy: -109.228 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: -59.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -867.937612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.937612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.937612 (E_RNA) where: Base-Base interactions energy: -454.490 where: short stacking energy: -243.284 Base-Backbone interact. energy: 3.286 local terms energy: -416.733449 where: bonds (distance) C4'-P energy: -112.993 bonds (distance) P-C4' energy: -115.971 flat angles C4'-P-C4' energy: -91.865 flat angles P-C4'-P energy: -64.606 tors. eta vs tors. theta energy: -31.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -725.639688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.639688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.639688 (E_RNA) where: Base-Base interactions energy: -349.973 where: short stacking energy: -223.403 Base-Backbone interact. energy: -0.719 local terms energy: -374.947425 where: bonds (distance) C4'-P energy: -106.509 bonds (distance) P-C4' energy: -108.266 flat angles C4'-P-C4' energy: -68.825 flat angles P-C4'-P energy: -74.787 tors. eta vs tors. theta energy: -16.561 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -576.065464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.065464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.065464 (E_RNA) where: Base-Base interactions energy: -223.626 where: short stacking energy: -153.517 Base-Backbone interact. energy: 3.530 local terms energy: -355.969318 where: bonds (distance) C4'-P energy: -94.843 bonds (distance) P-C4' energy: -123.871 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -64.091 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2007.142907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.142907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.142907 (E_RNA) where: Base-Base interactions energy: -1365.638 where: short stacking energy: -590.480 Base-Backbone interact. energy: -1.317 local terms energy: -640.187767 where: bonds (distance) C4'-P energy: -126.268 bonds (distance) P-C4' energy: -134.553 flat angles C4'-P-C4' energy: -145.496 flat angles P-C4'-P energy: -84.113 tors. eta vs tors. theta energy: -149.758 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: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1958.488684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.488684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.488684 (E_RNA) where: Base-Base interactions energy: -1333.067 where: short stacking energy: -550.645 Base-Backbone interact. energy: -1.795 local terms energy: -623.626229 where: bonds (distance) C4'-P energy: -113.698 bonds (distance) P-C4' energy: -128.255 flat angles C4'-P-C4' energy: -141.695 flat angles P-C4'-P energy: -91.255 tors. eta vs tors. theta energy: -148.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1750.184715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.184715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.184715 (E_RNA) where: Base-Base interactions energy: -1157.259 where: short stacking energy: -508.816 Base-Backbone interact. energy: -1.398 local terms energy: -591.527211 where: bonds (distance) C4'-P energy: -126.220 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -126.590 flat angles P-C4'-P energy: -90.327 tors. eta vs tors. theta energy: -127.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1739.723726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.723726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.723726 (E_RNA) where: Base-Base interactions energy: -1136.924 where: short stacking energy: -522.948 Base-Backbone interact. energy: -1.380 local terms energy: -601.419190 where: bonds (distance) C4'-P energy: -120.548 bonds (distance) P-C4' energy: -131.588 flat angles C4'-P-C4' energy: -128.484 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: -143.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1593.586033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.586033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.586033 (E_RNA) where: Base-Base interactions energy: -1084.397 where: short stacking energy: -461.633 Base-Backbone interact. energy: -1.565 local terms energy: -507.623865 where: bonds (distance) C4'-P energy: -114.847 bonds (distance) P-C4' energy: -109.307 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -70.596 tors. eta vs tors. theta energy: -103.679 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: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1317.310624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.310624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.310624 (E_RNA) where: Base-Base interactions energy: -822.865 where: short stacking energy: -410.719 Base-Backbone interact. energy: -2.518 local terms energy: -491.928149 where: bonds (distance) C4'-P energy: -104.082 bonds (distance) P-C4' energy: -110.771 flat angles C4'-P-C4' energy: -116.620 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -84.496 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: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1226.686959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.686959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.686959 (E_RNA) where: Base-Base interactions energy: -754.493 where: short stacking energy: -367.844 Base-Backbone interact. energy: -0.780 local terms energy: -471.414025 where: bonds (distance) C4'-P energy: -100.101 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -107.994 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: -80.917 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: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -833.100044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.100044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.100044 (E_RNA) where: Base-Base interactions energy: -436.893 where: short stacking energy: -229.975 Base-Backbone interact. energy: -0.371 local terms energy: -395.836607 where: bonds (distance) C4'-P energy: -102.723 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -102.603 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -21.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -727.323116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.323116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.323116 (E_RNA) where: Base-Base interactions energy: -361.220 where: short stacking energy: -221.251 Base-Backbone interact. energy: 1.118 local terms energy: -367.220553 where: bonds (distance) C4'-P energy: -113.896 bonds (distance) P-C4' energy: -117.035 flat angles C4'-P-C4' energy: -85.439 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -0.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -552.417609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.417609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.417609 (E_RNA) where: Base-Base interactions energy: -231.662 where: short stacking energy: -163.336 Base-Backbone interact. energy: -0.054 local terms energy: -320.701554 where: bonds (distance) C4'-P energy: -95.528 bonds (distance) P-C4' energy: -104.061 flat angles C4'-P-C4' energy: -59.671 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: 10.564 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: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2010.023018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.023018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.023018 (E_RNA) where: Base-Base interactions energy: -1384.549 where: short stacking energy: -604.156 Base-Backbone interact. energy: -2.046 local terms energy: -623.428273 where: bonds (distance) C4'-P energy: -122.205 bonds (distance) P-C4' energy: -122.261 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -85.027 tors. eta vs tors. theta energy: -151.012 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: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1971.427993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.427993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.427993 (E_RNA) where: Base-Base interactions energy: -1355.711 where: short stacking energy: -601.299 Base-Backbone interact. energy: 0.316 local terms energy: -616.033087 where: bonds (distance) C4'-P energy: -115.333 bonds (distance) P-C4' energy: -128.067 flat angles C4'-P-C4' energy: -121.604 flat angles P-C4'-P energy: -87.787 tors. eta vs tors. theta energy: -163.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1726.376678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.376678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.376678 (E_RNA) where: Base-Base interactions energy: -1130.621 where: short stacking energy: -501.805 Base-Backbone interact. energy: -3.543 local terms energy: -592.212413 where: bonds (distance) C4'-P energy: -121.650 bonds (distance) P-C4' energy: -118.835 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -90.177 tors. eta vs tors. theta energy: -126.375 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: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1719.988299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.988299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.988299 (E_RNA) where: Base-Base interactions energy: -1111.542 where: short stacking energy: -497.632 Base-Backbone interact. energy: -3.111 local terms energy: -605.335082 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -117.034 flat angles C4'-P-C4' energy: -143.730 flat angles P-C4'-P energy: -73.785 tors. eta vs tors. theta energy: -143.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1581.615096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.615096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.615096 (E_RNA) where: Base-Base interactions energy: -1054.928 where: short stacking energy: -461.173 Base-Backbone interact. energy: 2.816 local terms energy: -529.502473 where: bonds (distance) C4'-P energy: -99.854 bonds (distance) P-C4' energy: -108.834 flat angles C4'-P-C4' energy: -126.821 flat angles P-C4'-P energy: -83.899 tors. eta vs tors. theta energy: -110.094 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: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1329.279556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.279556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.279556 (E_RNA) where: Base-Base interactions energy: -850.632 where: short stacking energy: -401.902 Base-Backbone interact. energy: -2.409 local terms energy: -476.238605 where: bonds (distance) C4'-P energy: -96.586 bonds (distance) P-C4' energy: -99.032 flat angles C4'-P-C4' energy: -115.378 flat angles P-C4'-P energy: -78.803 tors. eta vs tors. theta energy: -86.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1223.513202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.513202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.513202 (E_RNA) where: Base-Base interactions energy: -770.320 where: short stacking energy: -354.073 Base-Backbone interact. energy: -0.750 local terms energy: -452.442749 where: bonds (distance) C4'-P energy: -112.140 bonds (distance) P-C4' energy: -101.779 flat angles C4'-P-C4' energy: -110.408 flat angles P-C4'-P energy: -50.924 tors. eta vs tors. theta energy: -77.191 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: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -873.723360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.723360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.723360 (E_RNA) where: Base-Base interactions energy: -462.297 where: short stacking energy: -270.851 Base-Backbone interact. energy: -2.365 local terms energy: -409.060795 where: bonds (distance) C4'-P energy: -92.059 bonds (distance) P-C4' energy: -99.715 flat angles C4'-P-C4' energy: -103.224 flat angles P-C4'-P energy: -76.260 tors. eta vs tors. theta energy: -37.803 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: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -775.071055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.071055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.071055 (E_RNA) where: Base-Base interactions energy: -407.928 where: short stacking energy: -218.464 Base-Backbone interact. energy: 7.063 local terms energy: -374.206432 where: bonds (distance) C4'-P energy: -112.425 bonds (distance) P-C4' energy: -111.963 flat angles C4'-P-C4' energy: -93.329 flat angles P-C4'-P energy: -62.786 tors. eta vs tors. theta energy: 6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -555.506479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.506479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.506479 (E_RNA) where: Base-Base interactions energy: -227.371 where: short stacking energy: -151.575 Base-Backbone interact. energy: -2.227 local terms energy: -325.908658 where: bonds (distance) C4'-P energy: -100.158 bonds (distance) P-C4' energy: -113.849 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: 11.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2026.373354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.373354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.373354 (E_RNA) where: Base-Base interactions energy: -1381.635 where: short stacking energy: -602.194 Base-Backbone interact. energy: -1.548 local terms energy: -643.190103 where: bonds (distance) C4'-P energy: -130.395 bonds (distance) P-C4' energy: -120.310 flat angles C4'-P-C4' energy: -141.941 flat angles P-C4'-P energy: -92.005 tors. eta vs tors. theta energy: -158.540 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: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2003.489155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.489155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.489155 (E_RNA) where: Base-Base interactions energy: -1349.530 where: short stacking energy: -565.553 Base-Backbone interact. energy: -5.345 local terms energy: -648.614739 where: bonds (distance) C4'-P energy: -120.505 bonds (distance) P-C4' energy: -122.946 flat angles C4'-P-C4' energy: -146.162 flat angles P-C4'-P energy: -88.089 tors. eta vs tors. theta energy: -170.912 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: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1723.192227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.192227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.192227 (E_RNA) where: Base-Base interactions energy: -1152.064 where: short stacking energy: -490.575 Base-Backbone interact. energy: 0.002 local terms energy: -571.130424 where: bonds (distance) C4'-P energy: -114.765 bonds (distance) P-C4' energy: -127.052 flat angles C4'-P-C4' energy: -129.120 flat angles P-C4'-P energy: -88.042 tors. eta vs tors. theta energy: -112.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1650.044590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.044590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.044590 (E_RNA) where: Base-Base interactions energy: -1067.137 where: short stacking energy: -506.485 Base-Backbone interact. energy: -1.931 local terms energy: -580.976370 where: bonds (distance) C4'-P energy: -110.449 bonds (distance) P-C4' energy: -126.427 flat angles C4'-P-C4' energy: -134.883 flat angles P-C4'-P energy: -79.740 tors. eta vs tors. theta energy: -129.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1606.548513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.548513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.548513 (E_RNA) where: Base-Base interactions energy: -1085.263 where: short stacking energy: -493.809 Base-Backbone interact. energy: 1.296 local terms energy: -522.581656 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -108.473 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -112.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1368.561216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.561216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.561216 (E_RNA) where: Base-Base interactions energy: -866.037 where: short stacking energy: -412.224 Base-Backbone interact. energy: -0.065 local terms energy: -502.458907 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -122.117 flat angles C4'-P-C4' energy: -115.800 flat angles P-C4'-P energy: -66.900 tors. eta vs tors. theta energy: -97.928 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: 4 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1140.224513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.224513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.224513 (E_RNA) where: Base-Base interactions energy: -700.440 where: short stacking energy: -310.920 Base-Backbone interact. energy: 0.058 local terms energy: -439.842883 where: bonds (distance) C4'-P energy: -107.482 bonds (distance) P-C4' energy: -113.277 flat angles C4'-P-C4' energy: -107.039 flat angles P-C4'-P energy: -61.145 tors. eta vs tors. theta energy: -50.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -943.701513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.701513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.701513 (E_RNA) where: Base-Base interactions energy: -556.527 where: short stacking energy: -262.292 Base-Backbone interact. energy: 1.162 local terms energy: -388.336450 where: bonds (distance) C4'-P energy: -108.886 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -102.551 flat angles P-C4'-P energy: -50.681 tors. eta vs tors. theta energy: -15.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -707.412475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.412475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.412475 (E_RNA) where: Base-Base interactions energy: -366.425 where: short stacking energy: -184.827 Base-Backbone interact. energy: 0.568 local terms energy: -341.555390 where: bonds (distance) C4'-P energy: -102.141 bonds (distance) P-C4' energy: -103.476 flat angles C4'-P-C4' energy: -97.737 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: 7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -570.750332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.750332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.750332 (E_RNA) where: Base-Base interactions energy: -257.486 where: short stacking energy: -186.197 Base-Backbone interact. energy: -0.266 local terms energy: -312.998156 where: bonds (distance) C4'-P energy: -107.110 bonds (distance) P-C4' energy: -102.080 flat angles C4'-P-C4' energy: -69.727 flat angles P-C4'-P energy: -30.834 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2035.327382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.327382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.327382 (E_RNA) where: Base-Base interactions energy: -1392.163 where: short stacking energy: -605.496 Base-Backbone interact. energy: -1.922 local terms energy: -641.242796 where: bonds (distance) C4'-P energy: -127.782 bonds (distance) P-C4' energy: -119.521 flat angles C4'-P-C4' energy: -133.579 flat angles P-C4'-P energy: -92.461 tors. eta vs tors. theta energy: -167.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1980.818063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.818063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.818063 (E_RNA) where: Base-Base interactions energy: -1352.763 where: short stacking energy: -592.244 Base-Backbone interact. energy: -5.122 local terms energy: -622.933181 where: bonds (distance) C4'-P energy: -94.685 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -132.777 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -170.039 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: 67 Temperature: 1.000000 Total energy: -1762.196774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.196774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.196774 (E_RNA) where: Base-Base interactions energy: -1177.940 where: short stacking energy: -523.693 Base-Backbone interact. energy: 3.220 local terms energy: -587.476193 where: bonds (distance) C4'-P energy: -104.691 bonds (distance) P-C4' energy: -121.637 flat angles C4'-P-C4' energy: -138.417 flat angles P-C4'-P energy: -90.450 tors. eta vs tors. theta energy: -132.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1664.266516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.266516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.266516 (E_RNA) where: Base-Base interactions energy: -1093.039 where: short stacking energy: -480.711 Base-Backbone interact. energy: 1.001 local terms energy: -572.228929 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -122.705 flat angles C4'-P-C4' energy: -116.036 flat angles P-C4'-P energy: -89.464 tors. eta vs tors. theta energy: -120.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1599.295854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.295854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.295854 (E_RNA) where: Base-Base interactions energy: -1028.971 where: short stacking energy: -490.233 Base-Backbone interact. energy: 0.242 local terms energy: -570.566791 where: bonds (distance) C4'-P energy: -114.168 bonds (distance) P-C4' energy: -121.750 flat angles C4'-P-C4' energy: -133.222 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -127.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1371.136090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.136090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.136090 (E_RNA) where: Base-Base interactions energy: -861.867 where: short stacking energy: -428.062 Base-Backbone interact. energy: 4.098 local terms energy: -513.366679 where: bonds (distance) C4'-P energy: -113.240 bonds (distance) P-C4' energy: -117.433 flat angles C4'-P-C4' energy: -106.588 flat angles P-C4'-P energy: -84.658 tors. eta vs tors. theta energy: -91.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1083.057597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.057597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.057597 (E_RNA) where: Base-Base interactions energy: -638.529 where: short stacking energy: -317.131 Base-Backbone interact. energy: 0.953 local terms energy: -445.481424 where: bonds (distance) C4'-P energy: -97.543 bonds (distance) P-C4' energy: -115.639 flat angles C4'-P-C4' energy: -111.297 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -46.057 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: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -948.801552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.801552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.801552 (E_RNA) where: Base-Base interactions energy: -545.783 where: short stacking energy: -271.786 Base-Backbone interact. energy: 0.209 local terms energy: -403.227785 where: bonds (distance) C4'-P energy: -107.181 bonds (distance) P-C4' energy: -119.758 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -56.436 tors. eta vs tors. theta energy: -27.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -675.398272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.398272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.398272 (E_RNA) where: Base-Base interactions energy: -314.853 where: short stacking energy: -217.887 Base-Backbone interact. energy: -3.041 local terms energy: -357.504337 where: bonds (distance) C4'-P energy: -101.958 bonds (distance) P-C4' energy: -114.551 flat angles C4'-P-C4' energy: -82.884 flat angles P-C4'-P energy: -38.575 tors. eta vs tors. theta energy: -19.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -581.683534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.683534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.683534 (E_RNA) where: Base-Base interactions energy: -254.225 where: short stacking energy: -177.203 Base-Backbone interact. energy: -1.192 local terms energy: -326.266251 where: bonds (distance) C4'-P energy: -107.120 bonds (distance) P-C4' energy: -103.886 flat angles C4'-P-C4' energy: -80.525 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: 6.744 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: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2053.978135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.978135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.978135 (E_RNA) where: Base-Base interactions energy: -1413.604 where: short stacking energy: -568.573 Base-Backbone interact. energy: -0.353 local terms energy: -640.020836 where: bonds (distance) C4'-P energy: -133.787 bonds (distance) P-C4' energy: -123.055 flat angles C4'-P-C4' energy: -145.736 flat angles P-C4'-P energy: -96.259 tors. eta vs tors. theta energy: -141.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1952.234605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.234605 (E_RNA) where: Base-Base interactions energy: -1319.920 where: short stacking energy: -611.982 Base-Backbone interact. energy: -5.861 local terms energy: -626.452937 where: bonds (distance) C4'-P energy: -112.870 bonds (distance) P-C4' energy: -120.801 flat angles C4'-P-C4' energy: -142.771 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -171.673 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: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1769.227378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.227378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.227378 (E_RNA) where: Base-Base interactions energy: -1188.056 where: short stacking energy: -516.577 Base-Backbone interact. energy: 0.708 local terms energy: -581.879494 where: bonds (distance) C4'-P energy: -116.705 bonds (distance) P-C4' energy: -120.449 flat angles C4'-P-C4' energy: -126.778 flat angles P-C4'-P energy: -86.050 tors. eta vs tors. theta energy: -131.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1684.426328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.426328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.426328 (E_RNA) where: Base-Base interactions energy: -1116.558 where: short stacking energy: -509.672 Base-Backbone interact. energy: -3.342 local terms energy: -564.526378 where: bonds (distance) C4'-P energy: -115.840 bonds (distance) P-C4' energy: -106.335 flat angles C4'-P-C4' energy: -132.996 flat angles P-C4'-P energy: -78.148 tors. eta vs tors. theta energy: -131.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1594.357469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.357469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.357469 (E_RNA) where: Base-Base interactions energy: -1055.959 where: short stacking energy: -481.361 Base-Backbone interact. energy: 0.980 local terms energy: -539.378740 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -114.587 flat angles C4'-P-C4' energy: -127.203 flat angles P-C4'-P energy: -70.281 tors. eta vs tors. theta energy: -120.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1378.607415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.607415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.607415 (E_RNA) where: Base-Base interactions energy: -874.384 where: short stacking energy: -409.483 Base-Backbone interact. energy: -2.905 local terms energy: -501.317954 where: bonds (distance) C4'-P energy: -87.473 bonds (distance) P-C4' energy: -119.480 flat angles C4'-P-C4' energy: -121.122 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -94.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1075.274463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.274463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.274463 (E_RNA) where: Base-Base interactions energy: -660.809 where: short stacking energy: -320.281 Base-Backbone interact. energy: -1.758 local terms energy: -412.707656 where: bonds (distance) C4'-P energy: -94.490 bonds (distance) P-C4' energy: -108.741 flat angles C4'-P-C4' energy: -92.489 flat angles P-C4'-P energy: -57.808 tors. eta vs tors. theta energy: -59.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -992.544131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.544131 (E_RNA) where: Base-Base interactions energy: -583.263 where: short stacking energy: -296.951 Base-Backbone interact. energy: 9.232 local terms energy: -418.513729 where: bonds (distance) C4'-P energy: -120.848 bonds (distance) P-C4' energy: -106.826 flat angles C4'-P-C4' energy: -84.999 flat angles P-C4'-P energy: -63.162 tors. eta vs tors. theta energy: -42.679 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: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -708.531360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.531360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.531360 (E_RNA) where: Base-Base interactions energy: -352.246 where: short stacking energy: -213.284 Base-Backbone interact. energy: 3.263 local terms energy: -359.548262 where: bonds (distance) C4'-P energy: -89.098 bonds (distance) P-C4' energy: -106.090 flat angles C4'-P-C4' energy: -98.852 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -557.824810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.824810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.824810 (E_RNA) where: Base-Base interactions energy: -229.682 where: short stacking energy: -141.620 Base-Backbone interact. energy: 5.943 local terms energy: -334.085965 where: bonds (distance) C4'-P energy: -100.346 bonds (distance) P-C4' energy: -102.491 flat angles C4'-P-C4' energy: -85.072 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: 14.089 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: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2029.151627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.151627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.151627 (E_RNA) where: Base-Base interactions energy: -1398.172 where: short stacking energy: -564.833 Base-Backbone interact. energy: -2.103 local terms energy: -628.876138 where: bonds (distance) C4'-P energy: -127.633 bonds (distance) P-C4' energy: -121.867 flat angles C4'-P-C4' energy: -147.299 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -147.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1946.190674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.190674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.190674 (E_RNA) where: Base-Base interactions energy: -1315.026 where: short stacking energy: -581.141 Base-Backbone interact. energy: -3.956 local terms energy: -627.208094 where: bonds (distance) C4'-P energy: -117.857 bonds (distance) P-C4' energy: -112.662 flat angles C4'-P-C4' energy: -138.784 flat angles P-C4'-P energy: -96.889 tors. eta vs tors. theta energy: -161.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1789.644354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.644354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.644354 (E_RNA) where: Base-Base interactions energy: -1210.399 where: short stacking energy: -530.560 Base-Backbone interact. energy: -2.512 local terms energy: -576.733426 where: bonds (distance) C4'-P energy: -122.812 bonds (distance) P-C4' energy: -122.018 flat angles C4'-P-C4' energy: -127.798 flat angles P-C4'-P energy: -65.251 tors. eta vs tors. theta energy: -138.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1712.428852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.428852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.428852 (E_RNA) where: Base-Base interactions energy: -1142.272 where: short stacking energy: -502.714 Base-Backbone interact. energy: -2.728 local terms energy: -567.429788 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -120.955 flat angles C4'-P-C4' energy: -122.906 flat angles P-C4'-P energy: -86.927 tors. eta vs tors. theta energy: -135.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1620.344907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.344907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.344907 (E_RNA) where: Base-Base interactions energy: -1043.396 where: short stacking energy: -493.905 Base-Backbone interact. energy: -0.645 local terms energy: -576.303315 where: bonds (distance) C4'-P energy: -123.656 bonds (distance) P-C4' energy: -104.220 flat angles C4'-P-C4' energy: -129.782 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -148.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1405.098488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.098488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.098488 (E_RNA) where: Base-Base interactions energy: -895.503 where: short stacking energy: -426.208 Base-Backbone interact. energy: 0.230 local terms energy: -509.825410 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -112.718 flat angles C4'-P-C4' energy: -123.385 flat angles P-C4'-P energy: -55.775 tors. eta vs tors. theta energy: -97.033 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: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1102.362514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.362514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.362514 (E_RNA) where: Base-Base interactions energy: -618.565 where: short stacking energy: -298.750 Base-Backbone interact. energy: 2.455 local terms energy: -486.253046 where: bonds (distance) C4'-P energy: -124.256 bonds (distance) P-C4' energy: -122.514 flat angles C4'-P-C4' energy: -117.805 flat angles P-C4'-P energy: -80.412 tors. eta vs tors. theta energy: -41.266 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: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -932.681010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.681010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.681010 (E_RNA) where: Base-Base interactions energy: -529.386 where: short stacking energy: -267.666 Base-Backbone interact. energy: 2.439 local terms energy: -405.734062 where: bonds (distance) C4'-P energy: -94.386 bonds (distance) P-C4' energy: -114.245 flat angles C4'-P-C4' energy: -99.069 flat angles P-C4'-P energy: -50.750 tors. eta vs tors. theta energy: -47.284 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: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -676.438883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.438883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.438883 (E_RNA) where: Base-Base interactions energy: -321.411 where: short stacking energy: -195.406 Base-Backbone interact. energy: 0.739 local terms energy: -355.766965 where: bonds (distance) C4'-P energy: -101.804 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -88.905 flat angles P-C4'-P energy: -62.166 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -627.969076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.969076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.969076 (E_RNA) where: Base-Base interactions energy: -305.892 where: short stacking energy: -177.628 Base-Backbone interact. energy: 4.620 local terms energy: -326.696931 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -84.186 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -50.356 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: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2057.272694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.272694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.272694 (E_RNA) where: Base-Base interactions energy: -1422.879 where: short stacking energy: -608.735 Base-Backbone interact. energy: 1.276 local terms energy: -635.669692 where: bonds (distance) C4'-P energy: -110.824 bonds (distance) P-C4' energy: -126.565 flat angles C4'-P-C4' energy: -141.762 flat angles P-C4'-P energy: -100.331 tors. eta vs tors. theta energy: -156.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1948.042747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.042747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.042747 (E_RNA) where: Base-Base interactions energy: -1283.493 where: short stacking energy: -599.177 Base-Backbone interact. energy: -2.681 local terms energy: -661.868424 where: bonds (distance) C4'-P energy: -125.168 bonds (distance) P-C4' energy: -118.213 flat angles C4'-P-C4' energy: -147.249 flat angles P-C4'-P energy: -98.910 tors. eta vs tors. theta energy: -172.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1815.479942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.479942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.479942 (E_RNA) where: Base-Base interactions energy: -1209.068 where: short stacking energy: -504.704 Base-Backbone interact. energy: -1.485 local terms energy: -604.927351 where: bonds (distance) C4'-P energy: -115.196 bonds (distance) P-C4' energy: -126.140 flat angles C4'-P-C4' energy: -141.514 flat angles P-C4'-P energy: -97.846 tors. eta vs tors. theta energy: -124.232 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: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1674.799577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.799577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.799577 (E_RNA) where: Base-Base interactions energy: -1127.282 where: short stacking energy: -496.293 Base-Backbone interact. energy: -2.717 local terms energy: -544.801065 where: bonds (distance) C4'-P energy: -109.449 bonds (distance) P-C4' energy: -118.348 flat angles C4'-P-C4' energy: -113.140 flat angles P-C4'-P energy: -80.557 tors. eta vs tors. theta energy: -123.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1622.346864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.346864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.346864 (E_RNA) where: Base-Base interactions energy: -1058.951 where: short stacking energy: -485.217 Base-Backbone interact. energy: -1.311 local terms energy: -562.085136 where: bonds (distance) C4'-P energy: -117.647 bonds (distance) P-C4' energy: -115.007 flat angles C4'-P-C4' energy: -120.142 flat angles P-C4'-P energy: -81.013 tors. eta vs tors. theta energy: -128.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1438.749690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.749690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.749690 (E_RNA) where: Base-Base interactions energy: -944.006 where: short stacking energy: -456.499 Base-Backbone interact. energy: 1.503 local terms energy: -496.246767 where: bonds (distance) C4'-P energy: -94.994 bonds (distance) P-C4' energy: -111.523 flat angles C4'-P-C4' energy: -118.810 flat angles P-C4'-P energy: -69.808 tors. eta vs tors. theta energy: -101.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1023.364392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.364392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.364392 (E_RNA) where: Base-Base interactions energy: -580.711 where: short stacking energy: -314.515 Base-Backbone interact. energy: 1.116 local terms energy: -443.769282 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -105.213 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -72.603 tors. eta vs tors. theta energy: -48.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -939.017018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.017018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.017018 (E_RNA) where: Base-Base interactions energy: -510.057 where: short stacking energy: -268.996 Base-Backbone interact. energy: -0.002 local terms energy: -428.958576 where: bonds (distance) C4'-P energy: -90.872 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -99.150 flat angles P-C4'-P energy: -82.438 tors. eta vs tors. theta energy: -42.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -716.299525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.299525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.299525 (E_RNA) where: Base-Base interactions energy: -364.990 where: short stacking energy: -187.006 Base-Backbone interact. energy: -3.265 local terms energy: -348.044646 where: bonds (distance) C4'-P energy: -101.955 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -92.381 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: 12.868 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: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -633.017084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.017084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.017084 (E_RNA) where: Base-Base interactions energy: -285.341 where: short stacking energy: -175.505 Base-Backbone interact. energy: 0.359 local terms energy: -348.035771 where: bonds (distance) C4'-P energy: -98.491 bonds (distance) P-C4' energy: -100.278 flat angles C4'-P-C4' energy: -81.963 flat angles P-C4'-P energy: -60.035 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: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2030.781599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.781599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.781599 (E_RNA) where: Base-Base interactions energy: -1381.922 where: short stacking energy: -599.958 Base-Backbone interact. energy: -0.840 local terms energy: -648.020178 where: bonds (distance) C4'-P energy: -118.106 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -144.082 flat angles P-C4'-P energy: -101.263 tors. eta vs tors. theta energy: -157.748 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: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1933.509894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.509894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.509894 (E_RNA) where: Base-Base interactions energy: -1299.519 where: short stacking energy: -617.281 Base-Backbone interact. energy: -2.178 local terms energy: -631.812101 where: bonds (distance) C4'-P energy: -117.777 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -90.807 tors. eta vs tors. theta energy: -172.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1821.838135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.838135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.838135 (E_RNA) where: Base-Base interactions energy: -1217.862 where: short stacking energy: -550.508 Base-Backbone interact. energy: -2.069 local terms energy: -601.906446 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -132.446 flat angles C4'-P-C4' energy: -124.249 flat angles P-C4'-P energy: -82.471 tors. eta vs tors. theta energy: -140.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1688.963808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.963808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.963808 (E_RNA) where: Base-Base interactions energy: -1117.198 where: short stacking energy: -528.192 Base-Backbone interact. energy: -1.398 local terms energy: -570.368267 where: bonds (distance) C4'-P energy: -117.541 bonds (distance) P-C4' energy: -107.823 flat angles C4'-P-C4' energy: -122.468 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -134.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1620.589906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.589906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.589906 (E_RNA) where: Base-Base interactions energy: -1048.589 where: short stacking energy: -487.076 Base-Backbone interact. energy: 0.154 local terms energy: -572.155255 where: bonds (distance) C4'-P energy: -111.118 bonds (distance) P-C4' energy: -128.405 flat angles C4'-P-C4' energy: -122.101 flat angles P-C4'-P energy: -73.752 tors. eta vs tors. theta energy: -136.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1411.806984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.806984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.806984 (E_RNA) where: Base-Base interactions energy: -900.655 where: short stacking energy: -402.069 Base-Backbone interact. energy: -2.924 local terms energy: -508.227957 where: bonds (distance) C4'-P energy: -106.038 bonds (distance) P-C4' energy: -107.169 flat angles C4'-P-C4' energy: -111.586 flat angles P-C4'-P energy: -81.482 tors. eta vs tors. theta energy: -101.952 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: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1057.776451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.776451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.776451 (E_RNA) where: Base-Base interactions energy: -640.909 where: short stacking energy: -326.973 Base-Backbone interact. energy: -1.338 local terms energy: -415.529493 where: bonds (distance) C4'-P energy: -91.117 bonds (distance) P-C4' energy: -102.478 flat angles C4'-P-C4' energy: -108.962 flat angles P-C4'-P energy: -55.530 tors. eta vs tors. theta energy: -57.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -960.826562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.826562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.826562 (E_RNA) where: Base-Base interactions energy: -508.839 where: short stacking energy: -268.194 Base-Backbone interact. energy: -1.547 local terms energy: -450.441343 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -123.251 flat angles C4'-P-C4' energy: -113.087 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -29.684 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: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -690.292599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.292599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.292599 (E_RNA) where: Base-Base interactions energy: -309.277 where: short stacking energy: -194.429 Base-Backbone interact. energy: 1.461 local terms energy: -382.476658 where: bonds (distance) C4'-P energy: -100.107 bonds (distance) P-C4' energy: -110.227 flat angles C4'-P-C4' energy: -94.668 flat angles P-C4'-P energy: -59.668 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: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -583.158492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.158492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.158492 (E_RNA) where: Base-Base interactions energy: -269.095 where: short stacking energy: -167.731 Base-Backbone interact. energy: 1.843 local terms energy: -315.905997 where: bonds (distance) C4'-P energy: -97.298 bonds (distance) P-C4' energy: -101.289 flat angles C4'-P-C4' energy: -85.322 flat angles P-C4'-P energy: -56.464 tors. eta vs tors. theta energy: 24.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2030.331226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.331226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.331226 (E_RNA) where: Base-Base interactions energy: -1388.854 where: short stacking energy: -587.338 Base-Backbone interact. energy: -1.496 local terms energy: -639.981233 where: bonds (distance) C4'-P energy: -135.306 bonds (distance) P-C4' energy: -127.156 flat angles C4'-P-C4' energy: -133.436 flat angles P-C4'-P energy: -88.622 tors. eta vs tors. theta energy: -155.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1960.606429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.606429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.606429 (E_RNA) where: Base-Base interactions energy: -1332.440 where: short stacking energy: -579.711 Base-Backbone interact. energy: -3.260 local terms energy: -624.906557 where: bonds (distance) C4'-P energy: -126.102 bonds (distance) P-C4' energy: -116.539 flat angles C4'-P-C4' energy: -131.981 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -153.620 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: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1832.293488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.293488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.293488 (E_RNA) where: Base-Base interactions energy: -1230.143 where: short stacking energy: -508.044 Base-Backbone interact. energy: -4.061 local terms energy: -598.089565 where: bonds (distance) C4'-P energy: -126.453 bonds (distance) P-C4' energy: -117.182 flat angles C4'-P-C4' energy: -135.141 flat angles P-C4'-P energy: -88.007 tors. eta vs tors. theta energy: -131.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1722.338131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.338131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.338131 (E_RNA) where: Base-Base interactions energy: -1168.829 where: short stacking energy: -516.533 Base-Backbone interact. energy: -3.074 local terms energy: -550.434949 where: bonds (distance) C4'-P energy: -113.357 bonds (distance) P-C4' energy: -121.408 flat angles C4'-P-C4' energy: -126.325 flat angles P-C4'-P energy: -62.820 tors. eta vs tors. theta energy: -126.526 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: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1618.677111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.677111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.677111 (E_RNA) where: Base-Base interactions energy: -1090.052 where: short stacking energy: -494.701 Base-Backbone interact. energy: -0.680 local terms energy: -527.945441 where: bonds (distance) C4'-P energy: -91.478 bonds (distance) P-C4' energy: -98.876 flat angles C4'-P-C4' energy: -133.830 flat angles P-C4'-P energy: -88.015 tors. eta vs tors. theta energy: -115.746 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: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1422.525655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.525655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.525655 (E_RNA) where: Base-Base interactions energy: -910.122 where: short stacking energy: -433.745 Base-Backbone interact. energy: -2.207 local terms energy: -510.196545 where: bonds (distance) C4'-P energy: -102.978 bonds (distance) P-C4' energy: -101.359 flat angles C4'-P-C4' energy: -120.842 flat angles P-C4'-P energy: -85.147 tors. eta vs tors. theta energy: -99.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1004.029861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.029861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.029861 (E_RNA) where: Base-Base interactions energy: -580.522 where: short stacking energy: -310.109 Base-Backbone interact. energy: 3.323 local terms energy: -426.830846 where: bonds (distance) C4'-P energy: -108.619 bonds (distance) P-C4' energy: -107.475 flat angles C4'-P-C4' energy: -95.670 flat angles P-C4'-P energy: -77.187 tors. eta vs tors. theta energy: -37.879 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: 72 Temperature: 1.250000 Total energy: -946.048933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.048933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.048933 (E_RNA) where: Base-Base interactions energy: -540.782 where: short stacking energy: -283.402 Base-Backbone interact. energy: 1.436 local terms energy: -406.702712 where: bonds (distance) C4'-P energy: -101.062 bonds (distance) P-C4' energy: -118.037 flat angles C4'-P-C4' energy: -101.858 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -35.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -596.306704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.306704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.306704 (E_RNA) where: Base-Base interactions energy: -259.105 where: short stacking energy: -182.630 Base-Backbone interact. energy: -0.827 local terms energy: -336.374979 where: bonds (distance) C4'-P energy: -101.955 bonds (distance) P-C4' energy: -99.444 flat angles C4'-P-C4' energy: -98.155 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: 7.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -681.281688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.281688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.281688 (E_RNA) where: Base-Base interactions energy: -325.689 where: short stacking energy: -185.895 Base-Backbone interact. energy: -1.013 local terms energy: -354.579083 where: bonds (distance) C4'-P energy: -96.275 bonds (distance) P-C4' energy: -106.929 flat angles C4'-P-C4' energy: -97.542 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: 5.826 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: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2032.396635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.396635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.396635 (E_RNA) where: Base-Base interactions energy: -1405.695 where: short stacking energy: -591.980 Base-Backbone interact. energy: -3.187 local terms energy: -623.514581 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -126.216 flat angles C4'-P-C4' energy: -135.964 flat angles P-C4'-P energy: -84.574 tors. eta vs tors. theta energy: -160.183 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: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1888.053359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.053359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.053359 (E_RNA) where: Base-Base interactions energy: -1273.063 where: short stacking energy: -559.575 Base-Backbone interact. energy: -4.179 local terms energy: -610.812138 where: bonds (distance) C4'-P energy: -124.066 bonds (distance) P-C4' energy: -121.454 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -157.092 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: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1838.633802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.633802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.633802 (E_RNA) where: Base-Base interactions energy: -1227.594 where: short stacking energy: -538.795 Base-Backbone interact. energy: -5.056 local terms energy: -605.983916 where: bonds (distance) C4'-P energy: -121.009 bonds (distance) P-C4' energy: -116.701 flat angles C4'-P-C4' energy: -134.669 flat angles P-C4'-P energy: -81.545 tors. eta vs tors. theta energy: -152.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1722.700875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.700875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.700875 (E_RNA) where: Base-Base interactions energy: -1150.882 where: short stacking energy: -524.761 Base-Backbone interact. energy: -0.721 local terms energy: -571.098230 where: bonds (distance) C4'-P energy: -112.902 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -119.197 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -152.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1612.634699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.634699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.634699 (E_RNA) where: Base-Base interactions energy: -1062.410 where: short stacking energy: -454.039 Base-Backbone interact. energy: -1.420 local terms energy: -548.804212 where: bonds (distance) C4'-P energy: -113.373 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -119.149 flat angles P-C4'-P energy: -93.393 tors. eta vs tors. theta energy: -118.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1403.223468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.223468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.223468 (E_RNA) where: Base-Base interactions energy: -912.142 where: short stacking energy: -411.005 Base-Backbone interact. energy: -3.674 local terms energy: -487.407579 where: bonds (distance) C4'-P energy: -113.319 bonds (distance) P-C4' energy: -103.610 flat angles C4'-P-C4' energy: -105.868 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -96.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -983.539691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.539691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.539691 (E_RNA) where: Base-Base interactions energy: -564.073 where: short stacking energy: -258.076 Base-Backbone interact. energy: 1.499 local terms energy: -420.966370 where: bonds (distance) C4'-P energy: -103.353 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -102.524 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -26.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -867.110353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.110353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.110353 (E_RNA) where: Base-Base interactions energy: -440.664 where: short stacking energy: -248.463 Base-Backbone interact. energy: -1.438 local terms energy: -425.007496 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -131.583 flat angles C4'-P-C4' energy: -100.171 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -27.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -594.528505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.528505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.528505 (E_RNA) where: Base-Base interactions energy: -249.760 where: short stacking energy: -195.612 Base-Backbone interact. energy: -2.006 local terms energy: -342.762310 where: bonds (distance) C4'-P energy: -93.593 bonds (distance) P-C4' energy: -89.980 flat angles C4'-P-C4' energy: -85.736 flat angles P-C4'-P energy: -77.390 tors. eta vs tors. theta energy: 3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -692.094244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.094244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.094244 (E_RNA) where: Base-Base interactions energy: -334.392 where: short stacking energy: -186.752 Base-Backbone interact. energy: 10.747 local terms energy: -368.448687 where: bonds (distance) C4'-P energy: -123.908 bonds (distance) P-C4' energy: -112.317 flat angles C4'-P-C4' energy: -82.349 flat angles P-C4'-P energy: -55.638 tors. eta vs tors. theta energy: 5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2037.628184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.628184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.628184 (E_RNA) where: Base-Base interactions energy: -1397.316 where: short stacking energy: -600.833 Base-Backbone interact. energy: -1.235 local terms energy: -639.076762 where: bonds (distance) C4'-P energy: -121.318 bonds (distance) P-C4' energy: -132.240 flat angles C4'-P-C4' energy: -144.365 flat angles P-C4'-P energy: -81.324 tors. eta vs tors. theta energy: -159.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1917.220838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.220838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.220838 (E_RNA) where: Base-Base interactions energy: -1269.000 where: short stacking energy: -569.539 Base-Backbone interact. energy: -2.783 local terms energy: -645.437652 where: bonds (distance) C4'-P energy: -131.957 bonds (distance) P-C4' energy: -126.252 flat angles C4'-P-C4' energy: -132.366 flat angles P-C4'-P energy: -89.409 tors. eta vs tors. theta energy: -165.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1841.932863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.932863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.932863 (E_RNA) where: Base-Base interactions energy: -1240.811 where: short stacking energy: -533.801 Base-Backbone interact. energy: 0.480 local terms energy: -601.601620 where: bonds (distance) C4'-P energy: -107.055 bonds (distance) P-C4' energy: -124.902 flat angles C4'-P-C4' energy: -132.697 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -147.567 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: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1712.999253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.999253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.999253 (E_RNA) where: Base-Base interactions energy: -1122.317 where: short stacking energy: -501.262 Base-Backbone interact. energy: -2.195 local terms energy: -588.486842 where: bonds (distance) C4'-P energy: -111.419 bonds (distance) P-C4' energy: -130.467 flat angles C4'-P-C4' energy: -136.713 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -129.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1630.462171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.462171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.462171 (E_RNA) where: Base-Base interactions energy: -1051.918 where: short stacking energy: -457.792 Base-Backbone interact. energy: -2.051 local terms energy: -576.493268 where: bonds (distance) C4'-P energy: -117.972 bonds (distance) P-C4' energy: -120.873 flat angles C4'-P-C4' energy: -128.344 flat angles P-C4'-P energy: -80.366 tors. eta vs tors. theta energy: -128.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1464.678296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.678296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.678296 (E_RNA) where: Base-Base interactions energy: -947.591 where: short stacking energy: -424.370 Base-Backbone interact. energy: 2.850 local terms energy: -519.937557 where: bonds (distance) C4'-P energy: -102.143 bonds (distance) P-C4' energy: -117.513 flat angles C4'-P-C4' energy: -128.112 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -116.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1011.107351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.107351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.107351 (E_RNA) where: Base-Base interactions energy: -598.947 where: short stacking energy: -300.612 Base-Backbone interact. energy: -2.853 local terms energy: -409.307315 where: bonds (distance) C4'-P energy: -122.588 bonds (distance) P-C4' energy: -110.589 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -59.944 tors. eta vs tors. theta energy: -35.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -863.756382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.756382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.756382 (E_RNA) where: Base-Base interactions energy: -481.724 where: short stacking energy: -266.637 Base-Backbone interact. energy: -1.441 local terms energy: -380.592308 where: bonds (distance) C4'-P energy: -74.794 bonds (distance) P-C4' energy: -112.872 flat angles C4'-P-C4' energy: -95.911 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: -28.789 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: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -753.671330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.671330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.671330 (E_RNA) where: Base-Base interactions energy: -396.194 where: short stacking energy: -207.289 Base-Backbone interact. energy: 5.030 local terms energy: -362.507770 where: bonds (distance) C4'-P energy: -86.970 bonds (distance) P-C4' energy: -111.956 flat angles C4'-P-C4' energy: -92.828 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -555.807309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.807309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.807309 (E_RNA) where: Base-Base interactions energy: -205.960 where: short stacking energy: -137.509 Base-Backbone interact. energy: 3.403 local terms energy: -353.249989 where: bonds (distance) C4'-P energy: -109.296 bonds (distance) P-C4' energy: -112.249 flat angles C4'-P-C4' energy: -95.393 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: 12.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2051.278261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.278261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.278261 (E_RNA) where: Base-Base interactions energy: -1388.625 where: short stacking energy: -606.406 Base-Backbone interact. energy: -2.384 local terms energy: -660.269596 where: bonds (distance) C4'-P energy: -120.807 bonds (distance) P-C4' energy: -137.427 flat angles C4'-P-C4' energy: -141.042 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -165.941 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: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1870.072886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.072886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.072886 (E_RNA) where: Base-Base interactions energy: -1228.336 where: short stacking energy: -553.461 Base-Backbone interact. energy: -2.880 local terms energy: -638.857371 where: bonds (distance) C4'-P energy: -111.113 bonds (distance) P-C4' energy: -128.779 flat angles C4'-P-C4' energy: -137.447 flat angles P-C4'-P energy: -94.179 tors. eta vs tors. theta energy: -167.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1851.288705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.288705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.288705 (E_RNA) where: Base-Base interactions energy: -1236.844 where: short stacking energy: -529.816 Base-Backbone interact. energy: 1.860 local terms energy: -616.304481 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -124.082 flat angles C4'-P-C4' energy: -141.505 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -145.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1754.078587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.078587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.078587 (E_RNA) where: Base-Base interactions energy: -1135.543 where: short stacking energy: -516.918 Base-Backbone interact. energy: -1.608 local terms energy: -616.928061 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -117.809 flat angles C4'-P-C4' energy: -140.608 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -155.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1624.278862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.278862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.278862 (E_RNA) where: Base-Base interactions energy: -1059.686 where: short stacking energy: -478.217 Base-Backbone interact. energy: -3.800 local terms energy: -560.793244 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -114.178 flat angles C4'-P-C4' energy: -127.760 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -142.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1414.816350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.816350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.816350 (E_RNA) where: Base-Base interactions energy: -915.601 where: short stacking energy: -401.226 Base-Backbone interact. energy: 1.533 local terms energy: -500.749266 where: bonds (distance) C4'-P energy: -99.467 bonds (distance) P-C4' energy: -111.614 flat angles C4'-P-C4' energy: -108.996 flat angles P-C4'-P energy: -87.478 tors. eta vs tors. theta energy: -93.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1063.457256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.457256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.457256 (E_RNA) where: Base-Base interactions energy: -582.592 where: short stacking energy: -333.601 Base-Backbone interact. energy: -1.753 local terms energy: -479.112534 where: bonds (distance) C4'-P energy: -106.668 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -117.908 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -60.348 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: 75 Temperature: 1.250000 Total energy: -869.517141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.517141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.517141 (E_RNA) where: Base-Base interactions energy: -476.483 where: short stacking energy: -249.654 Base-Backbone interact. energy: -2.113 local terms energy: -390.920636 where: bonds (distance) C4'-P energy: -104.894 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -92.989 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -22.641 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: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -748.133342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.133342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.133342 (E_RNA) where: Base-Base interactions energy: -385.018 where: short stacking energy: -219.061 Base-Backbone interact. energy: 2.688 local terms energy: -365.803755 where: bonds (distance) C4'-P energy: -103.431 bonds (distance) P-C4' energy: -112.885 flat angles C4'-P-C4' energy: -85.543 flat angles P-C4'-P energy: -56.481 tors. eta vs tors. theta energy: -7.465 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -565.109300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.109300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.109300 (E_RNA) where: Base-Base interactions energy: -224.683 where: short stacking energy: -172.401 Base-Backbone interact. energy: 2.224 local terms energy: -342.650787 where: bonds (distance) C4'-P energy: -93.531 bonds (distance) P-C4' energy: -118.264 flat angles C4'-P-C4' energy: -80.580 flat angles P-C4'-P energy: -63.261 tors. eta vs tors. theta energy: 12.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2013.897837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.897837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.897837 (E_RNA) where: Base-Base interactions energy: -1380.676 where: short stacking energy: -589.273 Base-Backbone interact. energy: -4.829 local terms energy: -628.392886 where: bonds (distance) C4'-P energy: -122.460 bonds (distance) P-C4' energy: -122.643 flat angles C4'-P-C4' energy: -137.899 flat angles P-C4'-P energy: -92.923 tors. eta vs tors. theta energy: -152.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1854.827793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.827793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.827793 (E_RNA) where: Base-Base interactions energy: -1217.741 where: short stacking energy: -574.461 Base-Backbone interact. energy: -2.826 local terms energy: -634.260755 where: bonds (distance) C4'-P energy: -122.375 bonds (distance) P-C4' energy: -128.242 flat angles C4'-P-C4' energy: -129.587 flat angles P-C4'-P energy: -89.745 tors. eta vs tors. theta energy: -164.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1840.033951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.033951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.033951 (E_RNA) where: Base-Base interactions energy: -1252.739 where: short stacking energy: -532.350 Base-Backbone interact. energy: -6.336 local terms energy: -580.959772 where: bonds (distance) C4'-P energy: -113.521 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -139.955 flat angles P-C4'-P energy: -75.564 tors. eta vs tors. theta energy: -133.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1734.112869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.112869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.112869 (E_RNA) where: Base-Base interactions energy: -1149.406 where: short stacking energy: -532.901 Base-Backbone interact. energy: -2.528 local terms energy: -582.179109 where: bonds (distance) C4'-P energy: -119.220 bonds (distance) P-C4' energy: -108.231 flat angles C4'-P-C4' energy: -136.137 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -142.473 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: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1579.881384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.881384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.881384 (E_RNA) where: Base-Base interactions energy: -1044.507 where: short stacking energy: -481.475 Base-Backbone interact. energy: -2.311 local terms energy: -533.063777 where: bonds (distance) C4'-P energy: -111.148 bonds (distance) P-C4' energy: -114.790 flat angles C4'-P-C4' energy: -110.661 flat angles P-C4'-P energy: -74.829 tors. eta vs tors. theta energy: -121.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1448.060174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.060174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.060174 (E_RNA) where: Base-Base interactions energy: -942.414 where: short stacking energy: -414.915 Base-Backbone interact. energy: -1.894 local terms energy: -503.752429 where: bonds (distance) C4'-P energy: -121.687 bonds (distance) P-C4' energy: -107.537 flat angles C4'-P-C4' energy: -109.940 flat angles P-C4'-P energy: -77.742 tors. eta vs tors. theta energy: -86.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1143.024115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.024115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.024115 (E_RNA) where: Base-Base interactions energy: -701.990 where: short stacking energy: -336.768 Base-Backbone interact. energy: -3.014 local terms energy: -438.020073 where: bonds (distance) C4'-P energy: -89.217 bonds (distance) P-C4' energy: -107.209 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -50.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -911.723382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.723382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.723382 (E_RNA) where: Base-Base interactions energy: -514.625 where: short stacking energy: -268.250 Base-Backbone interact. energy: 0.204 local terms energy: -397.302406 where: bonds (distance) C4'-P energy: -105.545 bonds (distance) P-C4' energy: -113.515 flat angles C4'-P-C4' energy: -97.590 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -25.837 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: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -753.761671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.761671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.761671 (E_RNA) where: Base-Base interactions energy: -381.890 where: short stacking energy: -191.556 Base-Backbone interact. energy: 8.010 local terms energy: -379.881752 where: bonds (distance) C4'-P energy: -104.002 bonds (distance) P-C4' energy: -108.444 flat angles C4'-P-C4' energy: -97.299 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -580.618571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.618571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.618571 (E_RNA) where: Base-Base interactions energy: -281.354 where: short stacking energy: -180.726 Base-Backbone interact. energy: 0.913 local terms energy: -300.178067 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -89.000 flat angles C4'-P-C4' energy: -85.544 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: 20.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2003.238220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.238220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.238220 (E_RNA) where: Base-Base interactions energy: -1356.859 where: short stacking energy: -577.843 Base-Backbone interact. energy: -4.246 local terms energy: -642.132944 where: bonds (distance) C4'-P energy: -128.187 bonds (distance) P-C4' energy: -127.827 flat angles C4'-P-C4' energy: -146.194 flat angles P-C4'-P energy: -91.730 tors. eta vs tors. theta energy: -148.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1868.065474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.065474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.065474 (E_RNA) where: Base-Base interactions energy: -1266.275 where: short stacking energy: -559.826 Base-Backbone interact. energy: -2.983 local terms energy: -598.807391 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -115.924 flat angles C4'-P-C4' energy: -134.715 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -165.657 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: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1838.311250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.311250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.311250 (E_RNA) where: Base-Base interactions energy: -1250.213 where: short stacking energy: -567.096 Base-Backbone interact. energy: -3.095 local terms energy: -585.002813 where: bonds (distance) C4'-P energy: -96.392 bonds (distance) P-C4' energy: -118.936 flat angles C4'-P-C4' energy: -135.967 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -138.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1766.693669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.693669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.693669 (E_RNA) where: Base-Base interactions energy: -1180.154 where: short stacking energy: -529.852 Base-Backbone interact. energy: -0.361 local terms energy: -586.179266 where: bonds (distance) C4'-P energy: -122.810 bonds (distance) P-C4' energy: -116.387 flat angles C4'-P-C4' energy: -129.288 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -135.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1606.265737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.265737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.265737 (E_RNA) where: Base-Base interactions energy: -1038.938 where: short stacking energy: -447.115 Base-Backbone interact. energy: -2.629 local terms energy: -564.698374 where: bonds (distance) C4'-P energy: -110.804 bonds (distance) P-C4' energy: -117.794 flat angles C4'-P-C4' energy: -116.000 flat angles P-C4'-P energy: -88.085 tors. eta vs tors. theta energy: -132.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1440.583656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.583656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.583656 (E_RNA) where: Base-Base interactions energy: -916.516 where: short stacking energy: -385.803 Base-Backbone interact. energy: -3.008 local terms energy: -521.059688 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -129.231 flat angles C4'-P-C4' energy: -114.919 flat angles P-C4'-P energy: -90.752 tors. eta vs tors. theta energy: -70.558 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: 77 Temperature: 1.200000 Total energy: -1174.515957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.515957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.515957 (E_RNA) where: Base-Base interactions energy: -771.335 where: short stacking energy: -331.110 Base-Backbone interact. energy: 2.461 local terms energy: -405.641960 where: bonds (distance) C4'-P energy: -98.163 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -95.184 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -57.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -813.404105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.404105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.404105 (E_RNA) where: Base-Base interactions energy: -432.400 where: short stacking energy: -240.190 Base-Backbone interact. energy: -2.923 local terms energy: -378.080766 where: bonds (distance) C4'-P energy: -102.566 bonds (distance) P-C4' energy: -117.691 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -24.663 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: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -707.630807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.630807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.630807 (E_RNA) where: Base-Base interactions energy: -377.710 where: short stacking energy: -203.517 Base-Backbone interact. energy: 7.053 local terms energy: -336.974245 where: bonds (distance) C4'-P energy: -93.061 bonds (distance) P-C4' energy: -90.594 flat angles C4'-P-C4' energy: -95.144 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -2.929 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: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -552.473317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.473317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.473317 (E_RNA) where: Base-Base interactions energy: -218.124 where: short stacking energy: -155.204 Base-Backbone interact. energy: -2.283 local terms energy: -332.066372 where: bonds (distance) C4'-P energy: -105.830 bonds (distance) P-C4' energy: -106.578 flat angles C4'-P-C4' energy: -80.969 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: 3.594 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: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2002.017398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.017398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.017398 (E_RNA) where: Base-Base interactions energy: -1351.696 where: short stacking energy: -585.950 Base-Backbone interact. energy: -6.444 local terms energy: -643.877762 where: bonds (distance) C4'-P energy: -121.523 bonds (distance) P-C4' energy: -138.326 flat angles C4'-P-C4' energy: -145.112 flat angles P-C4'-P energy: -89.693 tors. eta vs tors. theta energy: -149.224 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: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1916.374149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.374149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.374149 (E_RNA) where: Base-Base interactions energy: -1289.680 where: short stacking energy: -572.186 Base-Backbone interact. energy: 1.504 local terms energy: -628.198898 where: bonds (distance) C4'-P energy: -124.805 bonds (distance) P-C4' energy: -106.440 flat angles C4'-P-C4' energy: -142.749 flat angles P-C4'-P energy: -86.886 tors. eta vs tors. theta energy: -167.318 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: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1829.172955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.172955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.172955 (E_RNA) where: Base-Base interactions energy: -1235.268 where: short stacking energy: -544.785 Base-Backbone interact. energy: -4.644 local terms energy: -589.261247 where: bonds (distance) C4'-P energy: -113.989 bonds (distance) P-C4' energy: -126.339 flat angles C4'-P-C4' energy: -128.575 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -132.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1761.675533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.675533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.675533 (E_RNA) where: Base-Base interactions energy: -1167.934 where: short stacking energy: -566.006 Base-Backbone interact. energy: -2.696 local terms energy: -591.045415 where: bonds (distance) C4'-P energy: -118.501 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -130.030 flat angles P-C4'-P energy: -79.810 tors. eta vs tors. theta energy: -146.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1603.435691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.435691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.435691 (E_RNA) where: Base-Base interactions energy: -1051.459 where: short stacking energy: -449.136 Base-Backbone interact. energy: -2.619 local terms energy: -549.357197 where: bonds (distance) C4'-P energy: -117.285 bonds (distance) P-C4' energy: -107.790 flat angles C4'-P-C4' energy: -126.921 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -123.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1387.030895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.030895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.030895 (E_RNA) where: Base-Base interactions energy: -890.258 where: short stacking energy: -395.171 Base-Backbone interact. energy: -2.005 local terms energy: -494.767674 where: bonds (distance) C4'-P energy: -97.907 bonds (distance) P-C4' energy: -124.709 flat angles C4'-P-C4' energy: -102.399 flat angles P-C4'-P energy: -66.906 tors. eta vs tors. theta energy: -102.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1138.531108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.531108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.531108 (E_RNA) where: Base-Base interactions energy: -660.390 where: short stacking energy: -311.734 Base-Backbone interact. energy: 1.214 local terms energy: -479.355011 where: bonds (distance) C4'-P energy: -114.049 bonds (distance) P-C4' energy: -107.263 flat angles C4'-P-C4' energy: -123.326 flat angles P-C4'-P energy: -71.215 tors. eta vs tors. theta energy: -63.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -812.736552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.736552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.736552 (E_RNA) where: Base-Base interactions energy: -431.741 where: short stacking energy: -232.265 Base-Backbone interact. energy: -1.430 local terms energy: -379.565505 where: bonds (distance) C4'-P energy: -94.353 bonds (distance) P-C4' energy: -111.382 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -54.778 tors. eta vs tors. theta energy: -19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -685.595710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.595710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.595710 (E_RNA) where: Base-Base interactions energy: -311.541 where: short stacking energy: -184.551 Base-Backbone interact. energy: -3.012 local terms energy: -371.042403 where: bonds (distance) C4'-P energy: -89.220 bonds (distance) P-C4' energy: -118.902 flat angles C4'-P-C4' energy: -97.007 flat angles P-C4'-P energy: -63.545 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -577.002250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.002250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.002250 (E_RNA) where: Base-Base interactions energy: -297.875 where: short stacking energy: -182.348 Base-Backbone interact. energy: 1.440 local terms energy: -280.567159 where: bonds (distance) C4'-P energy: -109.791 bonds (distance) P-C4' energy: -96.727 flat angles C4'-P-C4' energy: -72.846 flat angles P-C4'-P energy: -34.471 tors. eta vs tors. theta energy: 33.268 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: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2008.393736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.393736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.393736 (E_RNA) where: Base-Base interactions energy: -1373.412 where: short stacking energy: -587.195 Base-Backbone interact. energy: -1.893 local terms energy: -633.088477 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -128.729 flat angles C4'-P-C4' energy: -155.776 flat angles P-C4'-P energy: -74.728 tors. eta vs tors. theta energy: -159.588 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: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1934.903074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.903074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.903074 (E_RNA) where: Base-Base interactions energy: -1264.736 where: short stacking energy: -584.356 Base-Backbone interact. energy: -4.715 local terms energy: -665.452613 where: bonds (distance) C4'-P energy: -118.881 bonds (distance) P-C4' energy: -130.013 flat angles C4'-P-C4' energy: -150.916 flat angles P-C4'-P energy: -98.330 tors. eta vs tors. theta energy: -167.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1800.494391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.494391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.494391 (E_RNA) where: Base-Base interactions energy: -1174.429 where: short stacking energy: -536.388 Base-Backbone interact. energy: -1.910 local terms energy: -624.155125 where: bonds (distance) C4'-P energy: -120.761 bonds (distance) P-C4' energy: -133.178 flat angles C4'-P-C4' energy: -132.836 flat angles P-C4'-P energy: -90.585 tors. eta vs tors. theta energy: -146.795 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: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1739.144034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.144034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.144034 (E_RNA) where: Base-Base interactions energy: -1112.474 where: short stacking energy: -524.558 Base-Backbone interact. energy: -2.116 local terms energy: -624.553956 where: bonds (distance) C4'-P energy: -125.178 bonds (distance) P-C4' energy: -120.069 flat angles C4'-P-C4' energy: -139.678 flat angles P-C4'-P energy: -83.382 tors. eta vs tors. theta energy: -156.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1556.538524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.538524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.538524 (E_RNA) where: Base-Base interactions energy: -984.721 where: short stacking energy: -437.517 Base-Backbone interact. energy: 0.644 local terms energy: -572.461009 where: bonds (distance) C4'-P energy: -120.173 bonds (distance) P-C4' energy: -137.164 flat angles C4'-P-C4' energy: -125.023 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -121.521 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: 6, replica: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1465.959534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.959534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.959534 (E_RNA) where: Base-Base interactions energy: -948.948 where: short stacking energy: -441.296 Base-Backbone interact. energy: -2.016 local terms energy: -514.995629 where: bonds (distance) C4'-P energy: -111.501 bonds (distance) P-C4' energy: -105.722 flat angles C4'-P-C4' energy: -109.781 flat angles P-C4'-P energy: -83.244 tors. eta vs tors. theta energy: -104.748 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: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1127.657308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.657308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.657308 (E_RNA) where: Base-Base interactions energy: -683.081 where: short stacking energy: -339.744 Base-Backbone interact. energy: -1.027 local terms energy: -443.550106 where: bonds (distance) C4'-P energy: -119.958 bonds (distance) P-C4' energy: -99.701 flat angles C4'-P-C4' energy: -95.484 flat angles P-C4'-P energy: -62.151 tors. eta vs tors. theta energy: -66.257 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: 79 Temperature: 1.250000 Total energy: -829.091855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.091855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.091855 (E_RNA) where: Base-Base interactions energy: -433.061 where: short stacking energy: -238.804 Base-Backbone interact. energy: 0.419 local terms energy: -396.449927 where: bonds (distance) C4'-P energy: -120.787 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -103.524 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -715.490120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.490120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.490120 (E_RNA) where: Base-Base interactions energy: -343.673 where: short stacking energy: -196.386 Base-Backbone interact. energy: -1.946 local terms energy: -369.871233 where: bonds (distance) C4'-P energy: -111.248 bonds (distance) P-C4' energy: -110.036 flat angles C4'-P-C4' energy: -91.186 flat angles P-C4'-P energy: -49.883 tors. eta vs tors. theta energy: -7.518 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: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -563.055141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.055141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.055141 (E_RNA) where: Base-Base interactions energy: -240.502 where: short stacking energy: -156.009 Base-Backbone interact. energy: 2.039 local terms energy: -324.591850 where: bonds (distance) C4'-P energy: -100.789 bonds (distance) P-C4' energy: -119.082 flat angles C4'-P-C4' energy: -74.576 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: 12.421 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: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2014.528931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.528931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.528931 (E_RNA) where: Base-Base interactions energy: -1362.524 where: short stacking energy: -576.281 Base-Backbone interact. energy: -3.371 local terms energy: -648.634341 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -138.916 flat angles C4'-P-C4' energy: -148.166 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -146.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1923.238188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.238188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.238188 (E_RNA) where: Base-Base interactions energy: -1272.117 where: short stacking energy: -565.685 Base-Backbone interact. energy: -4.217 local terms energy: -646.904801 where: bonds (distance) C4'-P energy: -122.236 bonds (distance) P-C4' energy: -119.873 flat angles C4'-P-C4' energy: -142.510 flat angles P-C4'-P energy: -94.328 tors. eta vs tors. theta energy: -167.958 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: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1808.423376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.423376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.423376 (E_RNA) where: Base-Base interactions energy: -1246.396 where: short stacking energy: -541.139 Base-Backbone interact. energy: -2.771 local terms energy: -559.256182 where: bonds (distance) C4'-P energy: -111.324 bonds (distance) P-C4' energy: -105.573 flat angles C4'-P-C4' energy: -119.187 flat angles P-C4'-P energy: -86.927 tors. eta vs tors. theta energy: -136.246 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: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1744.314535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.314535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.314535 (E_RNA) where: Base-Base interactions energy: -1200.337 where: short stacking energy: -527.982 Base-Backbone interact. energy: 2.276 local terms energy: -546.254060 where: bonds (distance) C4'-P energy: -109.961 bonds (distance) P-C4' energy: -103.842 flat angles C4'-P-C4' energy: -109.875 flat angles P-C4'-P energy: -85.826 tors. eta vs tors. theta energy: -136.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1559.183036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.183036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.183036 (E_RNA) where: Base-Base interactions energy: -1016.784 where: short stacking energy: -458.316 Base-Backbone interact. energy: -2.644 local terms energy: -539.755520 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -105.314 flat angles C4'-P-C4' energy: -121.666 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: -115.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1427.984088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.984088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.984088 (E_RNA) where: Base-Base interactions energy: -934.275 where: short stacking energy: -416.308 Base-Backbone interact. energy: -2.219 local terms energy: -491.489539 where: bonds (distance) C4'-P energy: -113.537 bonds (distance) P-C4' energy: -104.962 flat angles C4'-P-C4' energy: -112.983 flat angles P-C4'-P energy: -58.011 tors. eta vs tors. theta energy: -101.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1157.407101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.407101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.407101 (E_RNA) where: Base-Base interactions energy: -709.657 where: short stacking energy: -350.403 Base-Backbone interact. energy: -0.654 local terms energy: -447.095503 where: bonds (distance) C4'-P energy: -96.366 bonds (distance) P-C4' energy: -104.029 flat angles C4'-P-C4' energy: -97.480 flat angles P-C4'-P energy: -80.807 tors. eta vs tors. theta energy: -68.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -817.827202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.827202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.827202 (E_RNA) where: Base-Base interactions energy: -403.059 where: short stacking energy: -215.284 Base-Backbone interact. energy: 1.007 local terms energy: -415.774780 where: bonds (distance) C4'-P energy: -120.286 bonds (distance) P-C4' energy: -116.812 flat angles C4'-P-C4' energy: -109.548 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -11.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -726.929032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.929032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.929032 (E_RNA) where: Base-Base interactions energy: -352.567 where: short stacking energy: -203.358 Base-Backbone interact. energy: -2.828 local terms energy: -371.533449 where: bonds (distance) C4'-P energy: -106.183 bonds (distance) P-C4' energy: -104.231 flat angles C4'-P-C4' energy: -112.494 flat angles P-C4'-P energy: -59.445 tors. eta vs tors. theta energy: 10.820 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: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -545.602946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.602946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.602946 (E_RNA) where: Base-Base interactions energy: -242.151 where: short stacking energy: -169.842 Base-Backbone interact. energy: -1.067 local terms energy: -302.384109 where: bonds (distance) C4'-P energy: -82.451 bonds (distance) P-C4' energy: -117.180 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -30.794 tors. eta vs tors. theta energy: 19.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1996.338282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.338282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.338282 (E_RNA) where: Base-Base interactions energy: -1360.747 where: short stacking energy: -587.400 Base-Backbone interact. energy: -3.963 local terms energy: -631.628615 where: bonds (distance) C4'-P energy: -116.261 bonds (distance) P-C4' energy: -134.264 flat angles C4'-P-C4' energy: -144.956 flat angles P-C4'-P energy: -79.162 tors. eta vs tors. theta energy: -156.984 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1892.870540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.870540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.870540 (E_RNA) where: Base-Base interactions energy: -1262.226 where: short stacking energy: -574.175 Base-Backbone interact. energy: -6.853 local terms energy: -623.791970 where: bonds (distance) C4'-P energy: -123.746 bonds (distance) P-C4' energy: -122.305 flat angles C4'-P-C4' energy: -131.373 flat angles P-C4'-P energy: -93.211 tors. eta vs tors. theta energy: -153.156 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: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1822.973327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.973327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.973327 (E_RNA) where: Base-Base interactions energy: -1257.939 where: short stacking energy: -560.219 Base-Backbone interact. energy: -6.365 local terms energy: -558.669912 where: bonds (distance) C4'-P energy: -97.030 bonds (distance) P-C4' energy: -119.626 flat angles C4'-P-C4' energy: -121.044 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: -140.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1756.319965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.319965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.319965 (E_RNA) where: Base-Base interactions energy: -1177.626 where: short stacking energy: -486.351 Base-Backbone interact. energy: 3.356 local terms energy: -582.050139 where: bonds (distance) C4'-P energy: -104.799 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -132.245 flat angles P-C4'-P energy: -80.211 tors. eta vs tors. theta energy: -134.004 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: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1534.199140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.199140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.199140 (E_RNA) where: Base-Base interactions energy: -991.077 where: short stacking energy: -475.580 Base-Backbone interact. energy: -1.014 local terms energy: -542.108042 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -123.115 flat angles C4'-P-C4' energy: -107.634 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -120.988 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: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1387.957019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.957019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.957019 (E_RNA) where: Base-Base interactions energy: -886.863 where: short stacking energy: -394.953 Base-Backbone interact. energy: -1.461 local terms energy: -499.632650 where: bonds (distance) C4'-P energy: -108.244 bonds (distance) P-C4' energy: -128.627 flat angles C4'-P-C4' energy: -112.159 flat angles P-C4'-P energy: -67.038 tors. eta vs tors. theta energy: -83.564 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: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1188.297124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.297124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.297124 (E_RNA) where: Base-Base interactions energy: -705.784 where: short stacking energy: -360.452 Base-Backbone interact. energy: 1.309 local terms energy: -483.822949 where: bonds (distance) C4'-P energy: -113.933 bonds (distance) P-C4' energy: -111.981 flat angles C4'-P-C4' energy: -118.719 flat angles P-C4'-P energy: -59.207 tors. eta vs tors. theta energy: -79.984 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: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -823.308826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.308826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.308826 (E_RNA) where: Base-Base interactions energy: -425.693 where: short stacking energy: -243.239 Base-Backbone interact. energy: 1.521 local terms energy: -399.136898 where: bonds (distance) C4'-P energy: -103.875 bonds (distance) P-C4' energy: -102.005 flat angles C4'-P-C4' energy: -99.215 flat angles P-C4'-P energy: -63.524 tors. eta vs tors. theta energy: -30.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -705.007600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.007600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.007600 (E_RNA) where: Base-Base interactions energy: -341.371 where: short stacking energy: -181.852 Base-Backbone interact. energy: 9.340 local terms energy: -372.976683 where: bonds (distance) C4'-P energy: -109.172 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -105.619 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -0.530 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: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -557.802544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.802544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.802544 (E_RNA) where: Base-Base interactions energy: -245.818 where: short stacking energy: -153.963 Base-Backbone interact. energy: 0.569 local terms energy: -312.553617 where: bonds (distance) C4'-P energy: -76.858 bonds (distance) P-C4' energy: -122.345 flat angles C4'-P-C4' energy: -83.976 flat angles P-C4'-P energy: -52.953 tors. eta vs tors. theta energy: 23.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1995.649413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.649413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.649413 (E_RNA) where: Base-Base interactions energy: -1364.634 where: short stacking energy: -564.213 Base-Backbone interact. energy: -2.135 local terms energy: -628.881099 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -148.956 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -156.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1903.545960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.545960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.545960 (E_RNA) where: Base-Base interactions energy: -1263.042 where: short stacking energy: -560.783 Base-Backbone interact. energy: -2.826 local terms energy: -637.677930 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -133.752 flat angles C4'-P-C4' energy: -134.710 flat angles P-C4'-P energy: -92.653 tors. eta vs tors. theta energy: -163.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1800.364981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.364981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.364981 (E_RNA) where: Base-Base interactions energy: -1186.964 where: short stacking energy: -533.661 Base-Backbone interact. energy: -3.763 local terms energy: -609.637997 where: bonds (distance) C4'-P energy: -115.238 bonds (distance) P-C4' energy: -118.874 flat angles C4'-P-C4' energy: -137.285 flat angles P-C4'-P energy: -96.381 tors. eta vs tors. theta energy: -141.860 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: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1748.098320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.098320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.098320 (E_RNA) where: Base-Base interactions energy: -1172.882 where: short stacking energy: -520.649 Base-Backbone interact. energy: 3.302 local terms energy: -578.518958 where: bonds (distance) C4'-P energy: -125.353 bonds (distance) P-C4' energy: -109.271 flat angles C4'-P-C4' energy: -130.246 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -146.188 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: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1533.286703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.286703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.286703 (E_RNA) where: Base-Base interactions energy: -987.664 where: short stacking energy: -465.861 Base-Backbone interact. energy: -4.806 local terms energy: -540.817188 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -114.135 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -75.964 tors. eta vs tors. theta energy: -121.438 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: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1381.569570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.569570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.569570 (E_RNA) where: Base-Base interactions energy: -869.457 where: short stacking energy: -394.754 Base-Backbone interact. energy: -0.536 local terms energy: -511.576853 where: bonds (distance) C4'-P energy: -108.184 bonds (distance) P-C4' energy: -118.352 flat angles C4'-P-C4' energy: -124.778 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -87.683 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: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1184.636414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.636414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.636414 (E_RNA) where: Base-Base interactions energy: -728.399 where: short stacking energy: -335.243 Base-Backbone interact. energy: 2.167 local terms energy: -458.404499 where: bonds (distance) C4'-P energy: -117.949 bonds (distance) P-C4' energy: -92.269 flat angles C4'-P-C4' energy: -120.167 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -64.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -753.981737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.981737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.981737 (E_RNA) where: Base-Base interactions energy: -358.971 where: short stacking energy: -212.461 Base-Backbone interact. energy: 0.433 local terms energy: -395.443905 where: bonds (distance) C4'-P energy: -94.084 bonds (distance) P-C4' energy: -123.887 flat angles C4'-P-C4' energy: -95.633 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -20.030 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: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -699.715008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.715008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.715008 (E_RNA) where: Base-Base interactions energy: -332.572 where: short stacking energy: -205.418 Base-Backbone interact. energy: 0.021 local terms energy: -367.163212 where: bonds (distance) C4'-P energy: -108.390 bonds (distance) P-C4' energy: -98.230 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -13.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -610.883582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.883582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.883582 (E_RNA) where: Base-Base interactions energy: -278.385 where: short stacking energy: -185.283 Base-Backbone interact. energy: 3.674 local terms energy: -336.172725 where: bonds (distance) C4'-P energy: -103.692 bonds (distance) P-C4' energy: -99.485 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -0.502 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: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2002.551730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.551730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.551730 (E_RNA) where: Base-Base interactions energy: -1342.545 where: short stacking energy: -597.177 Base-Backbone interact. energy: -3.755 local terms energy: -656.251155 where: bonds (distance) C4'-P energy: -115.749 bonds (distance) P-C4' energy: -134.156 flat angles C4'-P-C4' energy: -136.469 flat angles P-C4'-P energy: -105.585 tors. eta vs tors. theta energy: -164.293 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: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1918.949666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.949666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.949666 (E_RNA) where: Base-Base interactions energy: -1260.657 where: short stacking energy: -555.869 Base-Backbone interact. energy: -3.481 local terms energy: -654.811409 where: bonds (distance) C4'-P energy: -132.448 bonds (distance) P-C4' energy: -124.215 flat angles C4'-P-C4' energy: -137.826 flat angles P-C4'-P energy: -102.836 tors. eta vs tors. theta energy: -157.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1823.163544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.163544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.163544 (E_RNA) where: Base-Base interactions energy: -1235.556 where: short stacking energy: -536.909 Base-Backbone interact. energy: -5.608 local terms energy: -581.999833 where: bonds (distance) C4'-P energy: -106.052 bonds (distance) P-C4' energy: -108.322 flat angles C4'-P-C4' energy: -139.843 flat angles P-C4'-P energy: -96.619 tors. eta vs tors. theta energy: -131.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1747.345761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.345761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.345761 (E_RNA) where: Base-Base interactions energy: -1144.649 where: short stacking energy: -510.166 Base-Backbone interact. energy: -4.169 local terms energy: -598.527997 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -130.848 flat angles P-C4'-P energy: -79.275 tors. eta vs tors. theta energy: -147.012 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: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1541.533054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.533054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.533054 (E_RNA) where: Base-Base interactions energy: -974.424 where: short stacking energy: -457.327 Base-Backbone interact. energy: -2.883 local terms energy: -564.226420 where: bonds (distance) C4'-P energy: -123.242 bonds (distance) P-C4' energy: -116.947 flat angles C4'-P-C4' energy: -128.281 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: -120.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1369.510293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.510293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.510293 (E_RNA) where: Base-Base interactions energy: -841.881 where: short stacking energy: -396.971 Base-Backbone interact. energy: -3.245 local terms energy: -524.384336 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -116.798 flat angles C4'-P-C4' energy: -117.471 flat angles P-C4'-P energy: -68.374 tors. eta vs tors. theta energy: -109.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1237.980871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.980871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.980871 (E_RNA) where: Base-Base interactions energy: -759.220 where: short stacking energy: -372.514 Base-Backbone interact. energy: -3.625 local terms energy: -475.136531 where: bonds (distance) C4'-P energy: -102.329 bonds (distance) P-C4' energy: -126.892 flat angles C4'-P-C4' energy: -115.684 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -77.827 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: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -763.897913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.897913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.897913 (E_RNA) where: Base-Base interactions energy: -395.492 where: short stacking energy: -231.970 Base-Backbone interact. energy: 6.329 local terms energy: -374.734937 where: bonds (distance) C4'-P energy: -103.351 bonds (distance) P-C4' energy: -123.036 flat angles C4'-P-C4' energy: -91.299 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -721.674502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.674502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.674502 (E_RNA) where: Base-Base interactions energy: -369.860 where: short stacking energy: -213.559 Base-Backbone interact. energy: -2.938 local terms energy: -348.876833 where: bonds (distance) C4'-P energy: -92.208 bonds (distance) P-C4' energy: -108.073 flat angles C4'-P-C4' energy: -90.533 flat angles P-C4'-P energy: -42.262 tors. eta vs tors. theta energy: -15.801 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -589.014751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.014751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.014751 (E_RNA) where: Base-Base interactions energy: -264.077 where: short stacking energy: -153.563 Base-Backbone interact. energy: -0.838 local terms energy: -324.100334 where: bonds (distance) C4'-P energy: -95.703 bonds (distance) P-C4' energy: -118.325 flat angles C4'-P-C4' energy: -94.596 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: 28.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2008.878260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.878260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.878260 (E_RNA) where: Base-Base interactions energy: -1364.918 where: short stacking energy: -599.524 Base-Backbone interact. energy: -1.836 local terms energy: -642.124202 where: bonds (distance) C4'-P energy: -133.151 bonds (distance) P-C4' energy: -126.716 flat angles C4'-P-C4' energy: -144.891 flat angles P-C4'-P energy: -80.840 tors. eta vs tors. theta energy: -156.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1889.266292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.266292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.266292 (E_RNA) where: Base-Base interactions energy: -1257.137 where: short stacking energy: -556.297 Base-Backbone interact. energy: -3.755 local terms energy: -628.373532 where: bonds (distance) C4'-P energy: -133.845 bonds (distance) P-C4' energy: -118.396 flat angles C4'-P-C4' energy: -143.667 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -151.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1842.195879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.195879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.195879 (E_RNA) where: Base-Base interactions energy: -1238.875 where: short stacking energy: -518.107 Base-Backbone interact. energy: 1.051 local terms energy: -604.371878 where: bonds (distance) C4'-P energy: -116.067 bonds (distance) P-C4' energy: -130.415 flat angles C4'-P-C4' energy: -136.320 flat angles P-C4'-P energy: -88.360 tors. eta vs tors. theta energy: -133.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1753.570499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.570499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.570499 (E_RNA) where: Base-Base interactions energy: -1159.312 where: short stacking energy: -539.344 Base-Backbone interact. energy: -1.514 local terms energy: -592.744243 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -128.133 flat angles C4'-P-C4' energy: -136.548 flat angles P-C4'-P energy: -81.530 tors. eta vs tors. theta energy: -146.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1584.569927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.569927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.569927 (E_RNA) where: Base-Base interactions energy: -1065.610 where: short stacking energy: -442.836 Base-Backbone interact. energy: -1.413 local terms energy: -517.547023 where: bonds (distance) C4'-P energy: -107.482 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -115.956 flat angles P-C4'-P energy: -69.709 tors. eta vs tors. theta energy: -119.155 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: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1335.833390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.833390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.833390 (E_RNA) where: Base-Base interactions energy: -824.577 where: short stacking energy: -416.074 Base-Backbone interact. energy: -4.059 local terms energy: -507.196989 where: bonds (distance) C4'-P energy: -101.347 bonds (distance) P-C4' energy: -117.692 flat angles C4'-P-C4' energy: -117.517 flat angles P-C4'-P energy: -64.995 tors. eta vs tors. theta energy: -105.645 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: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1161.457658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.457658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.457658 (E_RNA) where: Base-Base interactions energy: -700.607 where: short stacking energy: -362.049 Base-Backbone interact. energy: -4.785 local terms energy: -456.066471 where: bonds (distance) C4'-P energy: -96.974 bonds (distance) P-C4' energy: -114.045 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -72.235 tors. eta vs tors. theta energy: -74.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -801.005995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.005995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.005995 (E_RNA) where: Base-Base interactions energy: -362.937 where: short stacking energy: -230.408 Base-Backbone interact. energy: -2.074 local terms energy: -435.995141 where: bonds (distance) C4'-P energy: -105.722 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -123.349 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -27.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -689.639284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.639284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.639284 (E_RNA) where: Base-Base interactions energy: -286.420 where: short stacking energy: -176.202 Base-Backbone interact. energy: -2.543 local terms energy: -400.676008 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -112.717 flat angles C4'-P-C4' energy: -108.761 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -564.890951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.890951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.890951 (E_RNA) where: Base-Base interactions energy: -239.562 where: short stacking energy: -147.735 Base-Backbone interact. energy: 1.784 local terms energy: -327.112402 where: bonds (distance) C4'-P energy: -106.826 bonds (distance) P-C4' energy: -99.861 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -57.618 tors. eta vs tors. theta energy: 33.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2035.612253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.612253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.612253 (E_RNA) where: Base-Base interactions energy: -1366.440 where: short stacking energy: -602.059 Base-Backbone interact. energy: -3.529 local terms energy: -665.643785 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -144.860 flat angles C4'-P-C4' energy: -140.745 flat angles P-C4'-P energy: -82.482 tors. eta vs tors. theta energy: -167.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1949.059729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.059729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.059729 (E_RNA) where: Base-Base interactions energy: -1319.415 where: short stacking energy: -597.516 Base-Backbone interact. energy: -3.046 local terms energy: -626.598373 where: bonds (distance) C4'-P energy: -114.793 bonds (distance) P-C4' energy: -125.193 flat angles C4'-P-C4' energy: -140.107 flat angles P-C4'-P energy: -91.335 tors. eta vs tors. theta energy: -155.171 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: 85 Temperature: 1.000000 Total energy: -1875.706194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.706194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.706194 (E_RNA) where: Base-Base interactions energy: -1256.614 where: short stacking energy: -566.539 Base-Backbone interact. energy: -9.416 local terms energy: -609.676023 where: bonds (distance) C4'-P energy: -114.148 bonds (distance) P-C4' energy: -107.600 flat angles C4'-P-C4' energy: -145.906 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -161.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1750.926984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.926984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.926984 (E_RNA) where: Base-Base interactions energy: -1183.262 where: short stacking energy: -523.170 Base-Backbone interact. energy: -5.302 local terms energy: -562.363032 where: bonds (distance) C4'-P energy: -108.497 bonds (distance) P-C4' energy: -100.239 flat angles C4'-P-C4' energy: -123.070 flat angles P-C4'-P energy: -85.857 tors. eta vs tors. theta energy: -144.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1551.260209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.260209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.260209 (E_RNA) where: Base-Base interactions energy: -1012.107 where: short stacking energy: -461.604 Base-Backbone interact. energy: -4.407 local terms energy: -534.745945 where: bonds (distance) C4'-P energy: -95.308 bonds (distance) P-C4' energy: -112.890 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -76.393 tors. eta vs tors. theta energy: -117.075 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: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1305.181488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.181488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.181488 (E_RNA) where: Base-Base interactions energy: -794.701 where: short stacking energy: -390.532 Base-Backbone interact. energy: 0.196 local terms energy: -510.675919 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -109.279 flat angles C4'-P-C4' energy: -119.888 flat angles P-C4'-P energy: -90.468 tors. eta vs tors. theta energy: -89.913 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: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1149.839114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.839114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.839114 (E_RNA) where: Base-Base interactions energy: -698.689 where: short stacking energy: -353.291 Base-Backbone interact. energy: -0.138 local terms energy: -451.012305 where: bonds (distance) C4'-P energy: -113.514 bonds (distance) P-C4' energy: -103.154 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -58.972 tors. eta vs tors. theta energy: -64.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -762.237251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.237251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.237251 (E_RNA) where: Base-Base interactions energy: -362.421 where: short stacking energy: -225.840 Base-Backbone interact. energy: -1.316 local terms energy: -398.499515 where: bonds (distance) C4'-P energy: -93.584 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -93.894 flat angles P-C4'-P energy: -61.772 tors. eta vs tors. theta energy: -26.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -710.857303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.857303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.857303 (E_RNA) where: Base-Base interactions energy: -351.360 where: short stacking energy: -198.258 Base-Backbone interact. energy: -0.280 local terms energy: -359.217271 where: bonds (distance) C4'-P energy: -101.385 bonds (distance) P-C4' energy: -117.831 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -41.918 tors. eta vs tors. theta energy: 12.495 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: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -587.855918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.855918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.855918 (E_RNA) where: Base-Base interactions energy: -262.652 where: short stacking energy: -189.319 Base-Backbone interact. energy: 1.105 local terms energy: -326.308642 where: bonds (distance) C4'-P energy: -96.787 bonds (distance) P-C4' energy: -120.704 flat angles C4'-P-C4' energy: -74.930 flat angles P-C4'-P energy: -32.598 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1984.596740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.596740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.596740 (E_RNA) where: Base-Base interactions energy: -1367.947 where: short stacking energy: -613.687 Base-Backbone interact. energy: -1.997 local terms energy: -614.652477 where: bonds (distance) C4'-P energy: -114.494 bonds (distance) P-C4' energy: -117.926 flat angles C4'-P-C4' energy: -141.085 flat angles P-C4'-P energy: -85.485 tors. eta vs tors. theta energy: -155.663 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: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1933.913433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.913433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.913433 (E_RNA) where: Base-Base interactions energy: -1301.188 where: short stacking energy: -563.163 Base-Backbone interact. energy: 1.851 local terms energy: -634.576435 where: bonds (distance) C4'-P energy: -117.997 bonds (distance) P-C4' energy: -122.886 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -101.874 tors. eta vs tors. theta energy: -153.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1883.178204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.178204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.178204 (E_RNA) where: Base-Base interactions energy: -1249.009 where: short stacking energy: -551.332 Base-Backbone interact. energy: -4.458 local terms energy: -629.711647 where: bonds (distance) C4'-P energy: -118.686 bonds (distance) P-C4' energy: -122.448 flat angles C4'-P-C4' energy: -143.738 flat angles P-C4'-P energy: -89.860 tors. eta vs tors. theta energy: -154.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1753.265747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.265747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.265747 (E_RNA) where: Base-Base interactions energy: -1159.258 where: short stacking energy: -535.640 Base-Backbone interact. energy: -1.663 local terms energy: -592.345223 where: bonds (distance) C4'-P energy: -115.015 bonds (distance) P-C4' energy: -113.812 flat angles C4'-P-C4' energy: -133.257 flat angles P-C4'-P energy: -88.246 tors. eta vs tors. theta energy: -142.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1617.003082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.003082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.003082 (E_RNA) where: Base-Base interactions energy: -1070.743 where: short stacking energy: -492.123 Base-Backbone interact. energy: -0.203 local terms energy: -546.057293 where: bonds (distance) C4'-P energy: -112.263 bonds (distance) P-C4' energy: -117.192 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -69.115 tors. eta vs tors. theta energy: -123.625 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: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1354.712681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.712681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.712681 (E_RNA) where: Base-Base interactions energy: -867.393 where: short stacking energy: -400.645 Base-Backbone interact. energy: -3.392 local terms energy: -483.927737 where: bonds (distance) C4'-P energy: -104.834 bonds (distance) P-C4' energy: -110.980 flat angles C4'-P-C4' energy: -100.502 flat angles P-C4'-P energy: -78.359 tors. eta vs tors. theta energy: -89.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1145.400746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.400746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.400746 (E_RNA) where: Base-Base interactions energy: -671.840 where: short stacking energy: -332.870 Base-Backbone interact. energy: 1.203 local terms energy: -474.764273 where: bonds (distance) C4'-P energy: -134.039 bonds (distance) P-C4' energy: -115.291 flat angles C4'-P-C4' energy: -107.227 flat angles P-C4'-P energy: -72.766 tors. eta vs tors. theta energy: -45.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -768.238685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.238685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.238685 (E_RNA) where: Base-Base interactions energy: -381.416 where: short stacking energy: -234.818 Base-Backbone interact. energy: -0.707 local terms energy: -386.115660 where: bonds (distance) C4'-P energy: -99.651 bonds (distance) P-C4' energy: -98.499 flat angles C4'-P-C4' energy: -95.394 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: -23.335 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: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -740.329009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.329009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.329009 (E_RNA) where: Base-Base interactions energy: -381.971 where: short stacking energy: -211.233 Base-Backbone interact. energy: -2.050 local terms energy: -356.308030 where: bonds (distance) C4'-P energy: -105.185 bonds (distance) P-C4' energy: -107.284 flat angles C4'-P-C4' energy: -76.722 flat angles P-C4'-P energy: -67.760 tors. eta vs tors. theta energy: 0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -569.801729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.801729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.801729 (E_RNA) where: Base-Base interactions energy: -212.249 where: short stacking energy: -144.079 Base-Backbone interact. energy: -0.108 local terms energy: -357.445416 where: bonds (distance) C4'-P energy: -91.525 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -105.784 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: 23.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2000.939996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.939996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.939996 (E_RNA) where: Base-Base interactions energy: -1325.515 where: short stacking energy: -587.069 Base-Backbone interact. energy: -3.483 local terms energy: -671.941708 where: bonds (distance) C4'-P energy: -140.002 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -137.147 flat angles P-C4'-P energy: -113.904 tors. eta vs tors. theta energy: -161.380 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: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1980.784923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.784923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.784923 (E_RNA) where: Base-Base interactions energy: -1375.539 where: short stacking energy: -583.399 Base-Backbone interact. energy: -0.923 local terms energy: -604.322481 where: bonds (distance) C4'-P energy: -113.816 bonds (distance) P-C4' energy: -112.532 flat angles C4'-P-C4' energy: -140.748 flat angles P-C4'-P energy: -92.337 tors. eta vs tors. theta energy: -144.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1875.823442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.823442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.823442 (E_RNA) where: Base-Base interactions energy: -1303.895 where: short stacking energy: -568.126 Base-Backbone interact. energy: -3.505 local terms energy: -568.423373 where: bonds (distance) C4'-P energy: -104.359 bonds (distance) P-C4' energy: -107.535 flat angles C4'-P-C4' energy: -131.914 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -156.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1760.297415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.297415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.297415 (E_RNA) where: Base-Base interactions energy: -1165.005 where: short stacking energy: -523.863 Base-Backbone interact. energy: -1.078 local terms energy: -594.214754 where: bonds (distance) C4'-P energy: -109.103 bonds (distance) P-C4' energy: -115.881 flat angles C4'-P-C4' energy: -138.505 flat angles P-C4'-P energy: -84.407 tors. eta vs tors. theta energy: -146.319 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: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1610.867047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.867047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.867047 (E_RNA) where: Base-Base interactions energy: -1053.028 where: short stacking energy: -470.898 Base-Backbone interact. energy: -2.210 local terms energy: -555.628435 where: bonds (distance) C4'-P energy: -116.484 bonds (distance) P-C4' energy: -121.190 flat angles C4'-P-C4' energy: -121.080 flat angles P-C4'-P energy: -83.299 tors. eta vs tors. theta energy: -113.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1392.064546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.064546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.064546 (E_RNA) where: Base-Base interactions energy: -859.148 where: short stacking energy: -414.816 Base-Backbone interact. energy: 2.572 local terms energy: -535.488577 where: bonds (distance) C4'-P energy: -109.814 bonds (distance) P-C4' energy: -120.964 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -79.736 tors. eta vs tors. theta energy: -99.776 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1154.926122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.926122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.926122 (E_RNA) where: Base-Base interactions energy: -674.915 where: short stacking energy: -349.095 Base-Backbone interact. energy: 3.925 local terms energy: -483.935554 where: bonds (distance) C4'-P energy: -122.286 bonds (distance) P-C4' energy: -114.576 flat angles C4'-P-C4' energy: -100.326 flat angles P-C4'-P energy: -80.450 tors. eta vs tors. theta energy: -66.298 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: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -841.982050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.982050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.982050 (E_RNA) where: Base-Base interactions energy: -419.526 where: short stacking energy: -254.144 Base-Backbone interact. energy: 4.431 local terms energy: -426.886972 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -123.794 flat angles C4'-P-C4' energy: -92.824 flat angles P-C4'-P energy: -59.961 tors. eta vs tors. theta energy: -27.611 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: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -737.303005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.303005 (E_RNA) where: Base-Base interactions energy: -354.977 where: short stacking energy: -210.201 Base-Backbone interact. energy: -1.944 local terms energy: -380.381824 where: bonds (distance) C4'-P energy: -108.848 bonds (distance) P-C4' energy: -98.242 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -567.145121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.145121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.145121 (E_RNA) where: Base-Base interactions energy: -244.409 where: short stacking energy: -166.986 Base-Backbone interact. energy: 13.074 local terms energy: -335.810300 where: bonds (distance) C4'-P energy: -98.950 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -92.080 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: 11.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2071.324119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.324119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.324119 (E_RNA) where: Base-Base interactions energy: -1397.636 where: short stacking energy: -602.675 Base-Backbone interact. energy: -3.966 local terms energy: -669.721500 where: bonds (distance) C4'-P energy: -128.158 bonds (distance) P-C4' energy: -136.731 flat angles C4'-P-C4' energy: -137.146 flat angles P-C4'-P energy: -107.913 tors. eta vs tors. theta energy: -159.774 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: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1954.021612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.021612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.021612 (E_RNA) where: Base-Base interactions energy: -1328.601 where: short stacking energy: -567.704 Base-Backbone interact. energy: -2.755 local terms energy: -622.665408 where: bonds (distance) C4'-P energy: -110.671 bonds (distance) P-C4' energy: -134.298 flat angles C4'-P-C4' energy: -143.143 flat angles P-C4'-P energy: -84.231 tors. eta vs tors. theta energy: -150.323 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: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1880.952917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.952917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.952917 (E_RNA) where: Base-Base interactions energy: -1271.136 where: short stacking energy: -584.579 Base-Backbone interact. energy: -0.124 local terms energy: -609.692219 where: bonds (distance) C4'-P energy: -113.197 bonds (distance) P-C4' energy: -117.681 flat angles C4'-P-C4' energy: -132.519 flat angles P-C4'-P energy: -79.587 tors. eta vs tors. theta energy: -166.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1771.841449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.841449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.841449 (E_RNA) where: Base-Base interactions energy: -1172.999 where: short stacking energy: -502.866 Base-Backbone interact. energy: -1.189 local terms energy: -597.653599 where: bonds (distance) C4'-P energy: -117.563 bonds (distance) P-C4' energy: -115.237 flat angles C4'-P-C4' energy: -125.261 flat angles P-C4'-P energy: -99.216 tors. eta vs tors. theta energy: -140.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1648.363522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.363522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.363522 (E_RNA) where: Base-Base interactions energy: -1083.393 where: short stacking energy: -486.248 Base-Backbone interact. energy: -0.932 local terms energy: -564.037846 where: bonds (distance) C4'-P energy: -125.579 bonds (distance) P-C4' energy: -121.413 flat angles C4'-P-C4' energy: -113.197 flat angles P-C4'-P energy: -71.338 tors. eta vs tors. theta energy: -132.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1370.863525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.863525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.863525 (E_RNA) where: Base-Base interactions energy: -880.753 where: short stacking energy: -397.998 Base-Backbone interact. energy: 5.918 local terms energy: -496.028666 where: bonds (distance) C4'-P energy: -119.432 bonds (distance) P-C4' energy: -99.142 flat angles C4'-P-C4' energy: -118.164 flat angles P-C4'-P energy: -65.400 tors. eta vs tors. theta energy: -93.890 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: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1125.085925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.085925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.085925 (E_RNA) where: Base-Base interactions energy: -717.883 where: short stacking energy: -348.930 Base-Backbone interact. energy: -3.219 local terms energy: -403.983764 where: bonds (distance) C4'-P energy: -102.549 bonds (distance) P-C4' energy: -92.395 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -67.120 tors. eta vs tors. theta energy: -45.163 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -762.235608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.235608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.235608 (E_RNA) where: Base-Base interactions energy: -378.434 where: short stacking energy: -228.690 Base-Backbone interact. energy: -0.706 local terms energy: -383.095035 where: bonds (distance) C4'-P energy: -94.738 bonds (distance) P-C4' energy: -127.416 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -676.072162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.072162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.072162 (E_RNA) where: Base-Base interactions energy: -318.627 where: short stacking energy: -191.737 Base-Backbone interact. energy: -3.809 local terms energy: -353.636333 where: bonds (distance) C4'-P energy: -105.764 bonds (distance) P-C4' energy: -105.663 flat angles C4'-P-C4' energy: -90.094 flat angles P-C4'-P energy: -52.538 tors. eta vs tors. theta energy: 0.422 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: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -561.473256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.473256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.473256 (E_RNA) where: Base-Base interactions energy: -236.581 where: short stacking energy: -170.459 Base-Backbone interact. energy: 1.691 local terms energy: -326.583760 where: bonds (distance) C4'-P energy: -101.375 bonds (distance) P-C4' energy: -101.453 flat angles C4'-P-C4' energy: -85.129 flat angles P-C4'-P energy: -59.468 tors. eta vs tors. theta energy: 20.842 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: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2072.434680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.434680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.434680 (E_RNA) where: Base-Base interactions energy: -1408.902 where: short stacking energy: -623.185 Base-Backbone interact. energy: -3.278 local terms energy: -660.255203 where: bonds (distance) C4'-P energy: -126.092 bonds (distance) P-C4' energy: -137.232 flat angles C4'-P-C4' energy: -141.477 flat angles P-C4'-P energy: -80.805 tors. eta vs tors. theta energy: -174.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1936.121266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.121266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.121266 (E_RNA) where: Base-Base interactions energy: -1330.714 where: short stacking energy: -548.021 Base-Backbone interact. energy: -5.368 local terms energy: -600.038781 where: bonds (distance) C4'-P energy: -122.116 bonds (distance) P-C4' energy: -126.625 flat angles C4'-P-C4' energy: -135.934 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -139.928 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: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1939.260360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.260360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.260360 (E_RNA) where: Base-Base interactions energy: -1319.111 where: short stacking energy: -567.327 Base-Backbone interact. energy: -3.169 local terms energy: -616.979918 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -121.064 flat angles C4'-P-C4' energy: -138.211 flat angles P-C4'-P energy: -86.349 tors. eta vs tors. theta energy: -168.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1771.686692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.686692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.686692 (E_RNA) where: Base-Base interactions energy: -1182.108 where: short stacking energy: -533.906 Base-Backbone interact. energy: -2.435 local terms energy: -587.144059 where: bonds (distance) C4'-P energy: -128.339 bonds (distance) P-C4' energy: -122.699 flat angles C4'-P-C4' energy: -117.343 flat angles P-C4'-P energy: -74.150 tors. eta vs tors. theta energy: -144.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1657.715382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.715382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.715382 (E_RNA) where: Base-Base interactions energy: -1083.457 where: short stacking energy: -485.391 Base-Backbone interact. energy: -3.129 local terms energy: -571.129751 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -115.515 flat angles C4'-P-C4' energy: -134.590 flat angles P-C4'-P energy: -84.845 tors. eta vs tors. theta energy: -126.274 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: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1401.298088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.298088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.298088 (E_RNA) where: Base-Base interactions energy: -875.346 where: short stacking energy: -425.179 Base-Backbone interact. energy: -2.678 local terms energy: -523.274038 where: bonds (distance) C4'-P energy: -111.155 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -112.527 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -100.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1095.549688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.549688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.549688 (E_RNA) where: Base-Base interactions energy: -669.287 where: short stacking energy: -325.206 Base-Backbone interact. energy: -0.391 local terms energy: -425.871927 where: bonds (distance) C4'-P energy: -88.100 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -101.939 flat angles P-C4'-P energy: -65.432 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: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -793.826393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.826393 (E_RNA) where: Base-Base interactions energy: -392.910 where: short stacking energy: -237.091 Base-Backbone interact. energy: -3.956 local terms energy: -396.960485 where: bonds (distance) C4'-P energy: -92.633 bonds (distance) P-C4' energy: -117.957 flat angles C4'-P-C4' energy: -99.032 flat angles P-C4'-P energy: -62.932 tors. eta vs tors. theta energy: -24.406 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: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -701.677074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.677074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.677074 (E_RNA) where: Base-Base interactions energy: -353.841 where: short stacking energy: -196.130 Base-Backbone interact. energy: 1.714 local terms energy: -349.550264 where: bonds (distance) C4'-P energy: -96.842 bonds (distance) P-C4' energy: -95.539 flat angles C4'-P-C4' energy: -97.405 flat angles P-C4'-P energy: -62.551 tors. eta vs tors. theta energy: 2.786 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: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -595.410375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.410375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.410375 (E_RNA) where: Base-Base interactions energy: -252.261 where: short stacking energy: -175.977 Base-Backbone interact. energy: -3.314 local terms energy: -339.835403 where: bonds (distance) C4'-P energy: -84.885 bonds (distance) P-C4' energy: -109.536 flat angles C4'-P-C4' energy: -87.538 flat angles P-C4'-P energy: -70.683 tors. eta vs tors. theta energy: 12.806 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: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2045.716481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.716481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.716481 (E_RNA) where: Base-Base interactions energy: -1382.802 where: short stacking energy: -584.143 Base-Backbone interact. energy: -4.587 local terms energy: -658.328286 where: bonds (distance) C4'-P energy: -138.035 bonds (distance) P-C4' energy: -129.338 flat angles C4'-P-C4' energy: -139.313 flat angles P-C4'-P energy: -86.134 tors. eta vs tors. theta energy: -165.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1958.553958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.553958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.553958 (E_RNA) where: Base-Base interactions energy: -1317.030 where: short stacking energy: -573.895 Base-Backbone interact. energy: -3.894 local terms energy: -637.629834 where: bonds (distance) C4'-P energy: -120.757 bonds (distance) P-C4' energy: -119.225 flat angles C4'-P-C4' energy: -150.550 flat angles P-C4'-P energy: -92.284 tors. eta vs tors. theta energy: -154.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1963.786627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.786627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.786627 (E_RNA) where: Base-Base interactions energy: -1331.555 where: short stacking energy: -574.776 Base-Backbone interact. energy: -4.036 local terms energy: -628.194917 where: bonds (distance) C4'-P energy: -118.116 bonds (distance) P-C4' energy: -118.406 flat angles C4'-P-C4' energy: -135.251 flat angles P-C4'-P energy: -87.747 tors. eta vs tors. theta energy: -168.675 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: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1827.109581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.109581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.109581 (E_RNA) where: Base-Base interactions energy: -1258.933 where: short stacking energy: -529.581 Base-Backbone interact. energy: -1.365 local terms energy: -566.811383 where: bonds (distance) C4'-P energy: -105.606 bonds (distance) P-C4' energy: -116.000 flat angles C4'-P-C4' energy: -126.976 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: -141.233 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: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1636.170868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.170868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.170868 (E_RNA) where: Base-Base interactions energy: -1101.232 where: short stacking energy: -472.971 Base-Backbone interact. energy: 2.849 local terms energy: -537.788799 where: bonds (distance) C4'-P energy: -103.048 bonds (distance) P-C4' energy: -111.302 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: -124.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1433.689142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.689142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.689142 (E_RNA) where: Base-Base interactions energy: -898.546 where: short stacking energy: -395.942 Base-Backbone interact. energy: -2.915 local terms energy: -532.228732 where: bonds (distance) C4'-P energy: -108.731 bonds (distance) P-C4' energy: -124.042 flat angles C4'-P-C4' energy: -121.806 flat angles P-C4'-P energy: -75.158 tors. eta vs tors. theta energy: -102.491 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: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1163.870888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.870888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.870888 (E_RNA) where: Base-Base interactions energy: -700.412 where: short stacking energy: -326.767 Base-Backbone interact. energy: 2.186 local terms energy: -465.645125 where: bonds (distance) C4'-P energy: -92.835 bonds (distance) P-C4' energy: -109.402 flat angles C4'-P-C4' energy: -121.015 flat angles P-C4'-P energy: -84.399 tors. eta vs tors. theta energy: -57.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -803.049759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.049759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.049759 (E_RNA) where: Base-Base interactions energy: -394.508 where: short stacking energy: -219.965 Base-Backbone interact. energy: -1.665 local terms energy: -406.877453 where: bonds (distance) C4'-P energy: -94.663 bonds (distance) P-C4' energy: -126.595 flat angles C4'-P-C4' energy: -114.213 flat angles P-C4'-P energy: -57.841 tors. eta vs tors. theta energy: -13.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -733.240009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.240009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.240009 (E_RNA) where: Base-Base interactions energy: -365.729 where: short stacking energy: -201.659 Base-Backbone interact. energy: 4.706 local terms energy: -372.216304 where: bonds (distance) C4'-P energy: -85.196 bonds (distance) P-C4' energy: -126.767 flat angles C4'-P-C4' energy: -101.465 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -559.495926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.495926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.495926 (E_RNA) where: Base-Base interactions energy: -223.538 where: short stacking energy: -167.318 Base-Backbone interact. energy: 0.091 local terms energy: -336.048556 where: bonds (distance) C4'-P energy: -100.174 bonds (distance) P-C4' energy: -111.734 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -62.948 tors. eta vs tors. theta energy: 8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2092.572418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.572418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.572418 (E_RNA) where: Base-Base interactions energy: -1469.923 where: short stacking energy: -624.264 Base-Backbone interact. energy: 3.339 local terms energy: -625.988728 where: bonds (distance) C4'-P energy: -122.340 bonds (distance) P-C4' energy: -125.027 flat angles C4'-P-C4' energy: -126.302 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -164.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2009.457699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.457699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.457699 (E_RNA) where: Base-Base interactions energy: -1355.970 where: short stacking energy: -588.466 Base-Backbone interact. energy: -6.694 local terms energy: -646.793303 where: bonds (distance) C4'-P energy: -115.524 bonds (distance) P-C4' energy: -130.853 flat angles C4'-P-C4' energy: -150.138 flat angles P-C4'-P energy: -89.671 tors. eta vs tors. theta energy: -160.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1913.175461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.175461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.175461 (E_RNA) where: Base-Base interactions energy: -1299.696 where: short stacking energy: -588.865 Base-Backbone interact. energy: 2.037 local terms energy: -615.516827 where: bonds (distance) C4'-P energy: -124.282 bonds (distance) P-C4' energy: -114.057 flat angles C4'-P-C4' energy: -140.858 flat angles P-C4'-P energy: -86.744 tors. eta vs tors. theta energy: -149.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1767.570426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.570426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.570426 (E_RNA) where: Base-Base interactions energy: -1195.083 where: short stacking energy: -541.076 Base-Backbone interact. energy: -0.932 local terms energy: -571.555576 where: bonds (distance) C4'-P energy: -110.859 bonds (distance) P-C4' energy: -119.570 flat angles C4'-P-C4' energy: -126.806 flat angles P-C4'-P energy: -72.570 tors. eta vs tors. theta energy: -141.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1592.727692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.727692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.727692 (E_RNA) where: Base-Base interactions energy: -1039.822 where: short stacking energy: -465.506 Base-Backbone interact. energy: -4.491 local terms energy: -548.414502 where: bonds (distance) C4'-P energy: -102.323 bonds (distance) P-C4' energy: -131.217 flat angles C4'-P-C4' energy: -117.218 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -118.625 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: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1425.492741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.492741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.492741 (E_RNA) where: Base-Base interactions energy: -915.025 where: short stacking energy: -405.965 Base-Backbone interact. energy: -1.582 local terms energy: -508.885270 where: bonds (distance) C4'-P energy: -115.007 bonds (distance) P-C4' energy: -111.424 flat angles C4'-P-C4' energy: -118.483 flat angles P-C4'-P energy: -61.959 tors. eta vs tors. theta energy: -102.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1113.214399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.214399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.214399 (E_RNA) where: Base-Base interactions energy: -660.136 where: short stacking energy: -355.246 Base-Backbone interact. energy: 1.539 local terms energy: -454.617023 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -114.177 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -70.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -849.916514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.916514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.916514 (E_RNA) where: Base-Base interactions energy: -447.326 where: short stacking energy: -269.326 Base-Backbone interact. energy: 3.581 local terms energy: -406.171183 where: bonds (distance) C4'-P energy: -102.519 bonds (distance) P-C4' energy: -112.263 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -66.367 tors. eta vs tors. theta energy: -19.868 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: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -725.424228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.424228 (E_RNA) where: Base-Base interactions energy: -389.711 where: short stacking energy: -224.073 Base-Backbone interact. energy: 0.415 local terms energy: -336.127562 where: bonds (distance) C4'-P energy: -106.137 bonds (distance) P-C4' energy: -87.945 flat angles C4'-P-C4' energy: -93.753 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -0.758 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: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -608.291599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.291599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.291599 (E_RNA) where: Base-Base interactions energy: -278.417 where: short stacking energy: -191.476 Base-Backbone interact. energy: 2.392 local terms energy: -332.266586 where: bonds (distance) C4'-P energy: -113.194 bonds (distance) P-C4' energy: -86.535 flat angles C4'-P-C4' energy: -82.543 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: 9.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2074.865536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.865536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.865536 (E_RNA) where: Base-Base interactions energy: -1416.074 where: short stacking energy: -625.638 Base-Backbone interact. energy: -2.477 local terms energy: -656.315041 where: bonds (distance) C4'-P energy: -127.251 bonds (distance) P-C4' energy: -119.985 flat angles C4'-P-C4' energy: -137.807 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -178.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2009.453023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.453023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.453023 (E_RNA) where: Base-Base interactions energy: -1390.423 where: short stacking energy: -594.978 Base-Backbone interact. energy: 0.484 local terms energy: -619.513503 where: bonds (distance) C4'-P energy: -125.884 bonds (distance) P-C4' energy: -116.608 flat angles C4'-P-C4' energy: -134.701 flat angles P-C4'-P energy: -84.307 tors. eta vs tors. theta energy: -158.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1906.624675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.624675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.624675 (E_RNA) where: Base-Base interactions energy: -1285.821 where: short stacking energy: -554.308 Base-Backbone interact. energy: -1.933 local terms energy: -618.870220 where: bonds (distance) C4'-P energy: -123.398 bonds (distance) P-C4' energy: -122.122 flat angles C4'-P-C4' energy: -133.913 flat angles P-C4'-P energy: -92.399 tors. eta vs tors. theta energy: -147.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1784.280786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.280786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.280786 (E_RNA) where: Base-Base interactions energy: -1171.545 where: short stacking energy: -532.319 Base-Backbone interact. energy: 5.260 local terms energy: -617.994872 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -124.417 flat angles C4'-P-C4' energy: -129.727 flat angles P-C4'-P energy: -99.121 tors. eta vs tors. theta energy: -146.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1592.318018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.318018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.318018 (E_RNA) where: Base-Base interactions energy: -1057.245 where: short stacking energy: -476.058 Base-Backbone interact. energy: 0.645 local terms energy: -535.718755 where: bonds (distance) C4'-P energy: -93.389 bonds (distance) P-C4' energy: -110.770 flat angles C4'-P-C4' energy: -139.171 flat angles P-C4'-P energy: -66.889 tors. eta vs tors. theta energy: -125.500 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: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1387.480317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.480317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.480317 (E_RNA) where: Base-Base interactions energy: -894.925 where: short stacking energy: -400.644 Base-Backbone interact. energy: -0.600 local terms energy: -491.954953 where: bonds (distance) C4'-P energy: -97.771 bonds (distance) P-C4' energy: -109.093 flat angles C4'-P-C4' energy: -129.808 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -87.242 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: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1122.611364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.611364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.611364 (E_RNA) where: Base-Base interactions energy: -674.754 where: short stacking energy: -327.206 Base-Backbone interact. energy: 2.901 local terms energy: -450.759211 where: bonds (distance) C4'-P energy: -106.783 bonds (distance) P-C4' energy: -105.414 flat angles C4'-P-C4' energy: -102.985 flat angles P-C4'-P energy: -80.015 tors. eta vs tors. theta energy: -55.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -846.693758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.693758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.693758 (E_RNA) where: Base-Base interactions energy: -444.429 where: short stacking energy: -254.965 Base-Backbone interact. energy: 4.595 local terms energy: -406.858795 where: bonds (distance) C4'-P energy: -85.657 bonds (distance) P-C4' energy: -112.103 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -35.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -771.802319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.802319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.802319 (E_RNA) where: Base-Base interactions energy: -411.308 where: short stacking energy: -241.781 Base-Backbone interact. energy: -0.664 local terms energy: -359.829952 where: bonds (distance) C4'-P energy: -99.193 bonds (distance) P-C4' energy: -96.130 flat angles C4'-P-C4' energy: -87.545 flat angles P-C4'-P energy: -55.250 tors. eta vs tors. theta energy: -21.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -519.385568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.385568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.385568 (E_RNA) where: Base-Base interactions energy: -179.179 where: short stacking energy: -154.248 Base-Backbone interact. energy: -2.303 local terms energy: -337.903136 where: bonds (distance) C4'-P energy: -111.185 bonds (distance) P-C4' energy: -113.369 flat angles C4'-P-C4' energy: -70.137 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: 14.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2078.165118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.165118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.165118 (E_RNA) where: Base-Base interactions energy: -1396.943 where: short stacking energy: -624.388 Base-Backbone interact. energy: -3.400 local terms energy: -677.822323 where: bonds (distance) C4'-P energy: -131.735 bonds (distance) P-C4' energy: -123.373 flat angles C4'-P-C4' energy: -142.608 flat angles P-C4'-P energy: -100.734 tors. eta vs tors. theta energy: -179.373 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: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2004.282899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.282899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.282899 (E_RNA) where: Base-Base interactions energy: -1326.642 where: short stacking energy: -591.887 Base-Backbone interact. energy: -7.979 local terms energy: -669.662433 where: bonds (distance) C4'-P energy: -139.767 bonds (distance) P-C4' energy: -116.680 flat angles C4'-P-C4' energy: -147.743 flat angles P-C4'-P energy: -91.115 tors. eta vs tors. theta energy: -174.357 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: 3, replica: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1898.823620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.823620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.823620 (E_RNA) where: Base-Base interactions energy: -1277.625 where: short stacking energy: -552.191 Base-Backbone interact. energy: -1.892 local terms energy: -619.306568 where: bonds (distance) C4'-P energy: -123.320 bonds (distance) P-C4' energy: -125.930 flat angles C4'-P-C4' energy: -138.446 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -146.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1789.622850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.622850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.622850 (E_RNA) where: Base-Base interactions energy: -1187.481 where: short stacking energy: -557.990 Base-Backbone interact. energy: -0.703 local terms energy: -601.438781 where: bonds (distance) C4'-P energy: -108.011 bonds (distance) P-C4' energy: -110.623 flat angles C4'-P-C4' energy: -141.466 flat angles P-C4'-P energy: -89.902 tors. eta vs tors. theta energy: -151.436 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: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1637.593326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.593326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.593326 (E_RNA) where: Base-Base interactions energy: -1061.687 where: short stacking energy: -482.344 Base-Backbone interact. energy: -3.096 local terms energy: -572.809694 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -114.159 flat angles C4'-P-C4' energy: -123.273 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -131.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1366.134594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.134594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.134594 (E_RNA) where: Base-Base interactions energy: -900.055 where: short stacking energy: -436.077 Base-Backbone interact. energy: 3.226 local terms energy: -469.305332 where: bonds (distance) C4'-P energy: -89.123 bonds (distance) P-C4' energy: -102.916 flat angles C4'-P-C4' energy: -122.077 flat angles P-C4'-P energy: -62.325 tors. eta vs tors. theta energy: -92.865 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: 93 Temperature: 1.200000 Total energy: -1146.831375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.831375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.831375 (E_RNA) where: Base-Base interactions energy: -676.364 where: short stacking energy: -363.515 Base-Backbone interact. energy: 2.171 local terms energy: -472.638746 where: bonds (distance) C4'-P energy: -110.812 bonds (distance) P-C4' energy: -132.881 flat angles C4'-P-C4' energy: -100.073 flat angles P-C4'-P energy: -51.941 tors. eta vs tors. theta energy: -76.931 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: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -941.804437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.804437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.804437 (E_RNA) where: Base-Base interactions energy: -524.826 where: short stacking energy: -255.061 Base-Backbone interact. energy: -1.712 local terms energy: -415.266733 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -114.807 flat angles C4'-P-C4' energy: -80.428 flat angles P-C4'-P energy: -72.449 tors. eta vs tors. theta energy: -37.023 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: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -737.584089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.584089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.584089 (E_RNA) where: Base-Base interactions energy: -334.673 where: short stacking energy: -178.834 Base-Backbone interact. energy: -1.393 local terms energy: -401.517987 where: bonds (distance) C4'-P energy: -109.732 bonds (distance) P-C4' energy: -110.707 flat angles C4'-P-C4' energy: -95.357 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -22.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -479.879775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.879775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.879775 (E_RNA) where: Base-Base interactions energy: -166.499 where: short stacking energy: -149.253 Base-Backbone interact. energy: -0.463 local terms energy: -312.916936 where: bonds (distance) C4'-P energy: -92.290 bonds (distance) P-C4' energy: -103.858 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -38.894 tors. eta vs tors. theta energy: 16.455 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: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2052.138905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.138905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.138905 (E_RNA) where: Base-Base interactions energy: -1380.417 where: short stacking energy: -589.077 Base-Backbone interact. energy: -3.498 local terms energy: -668.223994 where: bonds (distance) C4'-P energy: -124.425 bonds (distance) P-C4' energy: -131.805 flat angles C4'-P-C4' energy: -144.986 flat angles P-C4'-P energy: -95.598 tors. eta vs tors. theta energy: -171.410 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: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1997.839987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.839987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.839987 (E_RNA) where: Base-Base interactions energy: -1352.417 where: short stacking energy: -581.288 Base-Backbone interact. energy: -5.594 local terms energy: -639.828254 where: bonds (distance) C4'-P energy: -118.268 bonds (distance) P-C4' energy: -123.174 flat angles C4'-P-C4' energy: -144.828 flat angles P-C4'-P energy: -97.973 tors. eta vs tors. theta energy: -155.585 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: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1903.837727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.837727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.837727 (E_RNA) where: Base-Base interactions energy: -1293.414 where: short stacking energy: -569.079 Base-Backbone interact. energy: -2.661 local terms energy: -607.763343 where: bonds (distance) C4'-P energy: -128.309 bonds (distance) P-C4' energy: -114.470 flat angles C4'-P-C4' energy: -120.803 flat angles P-C4'-P energy: -91.781 tors. eta vs tors. theta energy: -152.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1803.603052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.603052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.603052 (E_RNA) where: Base-Base interactions energy: -1189.109 where: short stacking energy: -520.505 Base-Backbone interact. energy: -3.625 local terms energy: -610.869006 where: bonds (distance) C4'-P energy: -113.709 bonds (distance) P-C4' energy: -135.729 flat angles C4'-P-C4' energy: -131.677 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -144.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1553.249105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.249105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.249105 (E_RNA) where: Base-Base interactions energy: -1002.580 where: short stacking energy: -449.093 Base-Backbone interact. energy: -0.894 local terms energy: -549.775471 where: bonds (distance) C4'-P energy: -113.225 bonds (distance) P-C4' energy: -96.889 flat angles C4'-P-C4' energy: -125.572 flat angles P-C4'-P energy: -85.822 tors. eta vs tors. theta energy: -128.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1433.773301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.773301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.773301 (E_RNA) where: Base-Base interactions energy: -923.493 where: short stacking energy: -450.348 Base-Backbone interact. energy: 1.800 local terms energy: -512.080895 where: bonds (distance) C4'-P energy: -110.691 bonds (distance) P-C4' energy: -118.858 flat angles C4'-P-C4' energy: -119.578 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: -96.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1207.355153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.355153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.355153 (E_RNA) where: Base-Base interactions energy: -758.299 where: short stacking energy: -366.923 Base-Backbone interact. energy: -2.319 local terms energy: -446.737465 where: bonds (distance) C4'-P energy: -97.425 bonds (distance) P-C4' energy: -116.156 flat angles C4'-P-C4' energy: -93.690 flat angles P-C4'-P energy: -81.667 tors. eta vs tors. theta energy: -57.799 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: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -931.042308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.042308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.042308 (E_RNA) where: Base-Base interactions energy: -535.471 where: short stacking energy: -292.043 Base-Backbone interact. energy: 0.942 local terms energy: -396.513447 where: bonds (distance) C4'-P energy: -110.208 bonds (distance) P-C4' energy: -108.925 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -38.591 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: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -784.547369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.547369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.547369 (E_RNA) where: Base-Base interactions energy: -407.339 where: short stacking energy: -248.183 Base-Backbone interact. energy: 1.760 local terms energy: -378.968352 where: bonds (distance) C4'-P energy: -103.185 bonds (distance) P-C4' energy: -102.895 flat angles C4'-P-C4' energy: -103.906 flat angles P-C4'-P energy: -55.066 tors. eta vs tors. theta energy: -13.916 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: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -497.911567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.911567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.911567 (E_RNA) where: Base-Base interactions energy: -178.134 where: short stacking energy: -150.241 Base-Backbone interact. energy: 0.959 local terms energy: -320.736792 where: bonds (distance) C4'-P energy: -100.950 bonds (distance) P-C4' energy: -94.009 flat angles C4'-P-C4' energy: -75.845 flat angles P-C4'-P energy: -63.048 tors. eta vs tors. theta energy: 13.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2065.872263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.872263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.872263 (E_RNA) where: Base-Base interactions energy: -1381.976 where: short stacking energy: -611.290 Base-Backbone interact. energy: -4.370 local terms energy: -679.526878 where: bonds (distance) C4'-P energy: -127.573 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -144.996 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -182.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1997.270532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.270532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.270532 (E_RNA) where: Base-Base interactions energy: -1346.451 where: short stacking energy: -581.551 Base-Backbone interact. energy: -4.848 local terms energy: -645.971151 where: bonds (distance) C4'-P energy: -128.863 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -150.396 flat angles P-C4'-P energy: -96.872 tors. eta vs tors. theta energy: -155.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1897.743700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.743700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.743700 (E_RNA) where: Base-Base interactions energy: -1305.576 where: short stacking energy: -542.199 Base-Backbone interact. energy: -0.518 local terms energy: -591.649782 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -117.408 flat angles C4'-P-C4' energy: -128.151 flat angles P-C4'-P energy: -75.923 tors. eta vs tors. theta energy: -141.745 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: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1795.999677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.999677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.999677 (E_RNA) where: Base-Base interactions energy: -1211.092 where: short stacking energy: -546.650 Base-Backbone interact. energy: 0.129 local terms energy: -585.036417 where: bonds (distance) C4'-P energy: -125.848 bonds (distance) P-C4' energy: -110.944 flat angles C4'-P-C4' energy: -123.479 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -161.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1564.587178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.587178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.587178 (E_RNA) where: Base-Base interactions energy: -1012.820 where: short stacking energy: -447.410 Base-Backbone interact. energy: -3.552 local terms energy: -548.215170 where: bonds (distance) C4'-P energy: -113.306 bonds (distance) P-C4' energy: -108.813 flat angles C4'-P-C4' energy: -134.940 flat angles P-C4'-P energy: -80.322 tors. eta vs tors. theta energy: -110.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1399.601199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.601199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.601199 (E_RNA) where: Base-Base interactions energy: -877.221 where: short stacking energy: -412.724 Base-Backbone interact. energy: -3.012 local terms energy: -519.368254 where: bonds (distance) C4'-P energy: -119.131 bonds (distance) P-C4' energy: -125.544 flat angles C4'-P-C4' energy: -111.874 flat angles P-C4'-P energy: -80.092 tors. eta vs tors. theta energy: -82.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1209.751644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.751644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.751644 (E_RNA) where: Base-Base interactions energy: -778.012 where: short stacking energy: -333.249 Base-Backbone interact. energy: 0.074 local terms energy: -431.813826 where: bonds (distance) C4'-P energy: -105.223 bonds (distance) P-C4' energy: -111.740 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -49.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -905.477125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.477125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.477125 (E_RNA) where: Base-Base interactions energy: -509.698 where: short stacking energy: -289.913 Base-Backbone interact. energy: -2.208 local terms energy: -393.571101 where: bonds (distance) C4'-P energy: -84.483 bonds (distance) P-C4' energy: -102.213 flat angles C4'-P-C4' energy: -120.170 flat angles P-C4'-P energy: -46.399 tors. eta vs tors. theta energy: -40.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -796.204644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.204644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.204644 (E_RNA) where: Base-Base interactions energy: -430.584 where: short stacking energy: -235.045 Base-Backbone interact. energy: -3.648 local terms energy: -361.972951 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -92.564 flat angles C4'-P-C4' energy: -83.717 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -11.814 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: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -487.431848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.431848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.431848 (E_RNA) where: Base-Base interactions energy: -159.717 where: short stacking energy: -121.966 Base-Backbone interact. energy: -2.014 local terms energy: -325.700643 where: bonds (distance) C4'-P energy: -97.565 bonds (distance) P-C4' energy: -108.639 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: 19.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2091.659362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.659362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.659362 (E_RNA) where: Base-Base interactions energy: -1430.152 where: short stacking energy: -618.865 Base-Backbone interact. energy: -5.348 local terms energy: -656.159153 where: bonds (distance) C4'-P energy: -120.810 bonds (distance) P-C4' energy: -118.019 flat angles C4'-P-C4' energy: -145.255 flat angles P-C4'-P energy: -91.466 tors. eta vs tors. theta energy: -180.608 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: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1987.643236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.643236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.643236 (E_RNA) where: Base-Base interactions energy: -1359.634 where: short stacking energy: -579.003 Base-Backbone interact. energy: -5.142 local terms energy: -622.866979 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -122.063 flat angles C4'-P-C4' energy: -129.748 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: -163.880 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: 96 Temperature: 1.000000 Total energy: -1894.688152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.688152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.688152 (E_RNA) where: Base-Base interactions energy: -1281.157 where: short stacking energy: -548.049 Base-Backbone interact. energy: -2.965 local terms energy: -610.566315 where: bonds (distance) C4'-P energy: -116.870 bonds (distance) P-C4' energy: -129.088 flat angles C4'-P-C4' energy: -137.417 flat angles P-C4'-P energy: -83.467 tors. eta vs tors. theta energy: -143.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1830.462448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.462448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.462448 (E_RNA) where: Base-Base interactions energy: -1199.915 where: short stacking energy: -549.885 Base-Backbone interact. energy: -4.021 local terms energy: -626.526180 where: bonds (distance) C4'-P energy: -122.423 bonds (distance) P-C4' energy: -127.117 flat angles C4'-P-C4' energy: -128.882 flat angles P-C4'-P energy: -95.511 tors. eta vs tors. theta energy: -152.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1616.575285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.575285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.575285 (E_RNA) where: Base-Base interactions energy: -1080.713 where: short stacking energy: -483.069 Base-Backbone interact. energy: -4.751 local terms energy: -531.111086 where: bonds (distance) C4'-P energy: -94.554 bonds (distance) P-C4' energy: -131.758 flat angles C4'-P-C4' energy: -116.602 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -115.545 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: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1475.857797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.857797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.857797 (E_RNA) where: Base-Base interactions energy: -950.332 where: short stacking energy: -424.802 Base-Backbone interact. energy: -2.922 local terms energy: -522.603375 where: bonds (distance) C4'-P energy: -98.278 bonds (distance) P-C4' energy: -103.767 flat angles C4'-P-C4' energy: -120.472 flat angles P-C4'-P energy: -86.160 tors. eta vs tors. theta energy: -113.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1245.346965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.346965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.346965 (E_RNA) where: Base-Base interactions energy: -779.406 where: short stacking energy: -385.649 Base-Backbone interact. energy: 0.876 local terms energy: -466.816225 where: bonds (distance) C4'-P energy: -87.420 bonds (distance) P-C4' energy: -108.432 flat angles C4'-P-C4' energy: -105.550 flat angles P-C4'-P energy: -84.381 tors. eta vs tors. theta energy: -81.034 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: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -864.434565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.434565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.434565 (E_RNA) where: Base-Base interactions energy: -474.269 where: short stacking energy: -275.976 Base-Backbone interact. energy: -0.323 local terms energy: -389.842302 where: bonds (distance) C4'-P energy: -97.031 bonds (distance) P-C4' energy: -106.040 flat angles C4'-P-C4' energy: -106.521 flat angles P-C4'-P energy: -53.804 tors. eta vs tors. theta energy: -26.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -763.983260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.983260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.983260 (E_RNA) where: Base-Base interactions energy: -390.952 where: short stacking energy: -228.321 Base-Backbone interact. energy: -2.890 local terms energy: -370.141175 where: bonds (distance) C4'-P energy: -118.555 bonds (distance) P-C4' energy: -120.157 flat angles C4'-P-C4' energy: -66.368 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -498.563393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.563393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.563393 (E_RNA) where: Base-Base interactions energy: -186.334 where: short stacking energy: -155.140 Base-Backbone interact. energy: -1.310 local terms energy: -310.919336 where: bonds (distance) C4'-P energy: -97.702 bonds (distance) P-C4' energy: -76.615 flat angles C4'-P-C4' energy: -95.480 flat angles P-C4'-P energy: -49.489 tors. eta vs tors. theta energy: 8.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2071.730250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.730250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.730250 (E_RNA) where: Base-Base interactions energy: -1422.132 where: short stacking energy: -583.165 Base-Backbone interact. energy: -5.111 local terms energy: -644.487635 where: bonds (distance) C4'-P energy: -129.238 bonds (distance) P-C4' energy: -119.657 flat angles C4'-P-C4' energy: -130.687 flat angles P-C4'-P energy: -83.470 tors. eta vs tors. theta energy: -181.435 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: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2028.629407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.629407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.629407 (E_RNA) where: Base-Base interactions energy: -1411.749 where: short stacking energy: -576.305 Base-Backbone interact. energy: -5.405 local terms energy: -611.475356 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -127.087 flat angles C4'-P-C4' energy: -139.657 flat angles P-C4'-P energy: -64.232 tors. eta vs tors. theta energy: -157.888 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: 97 Temperature: 1.000000 Total energy: -1812.591011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.591011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.591011 (E_RNA) where: Base-Base interactions energy: -1227.179 where: short stacking energy: -519.885 Base-Backbone interact. energy: -0.242 local terms energy: -585.169887 where: bonds (distance) C4'-P energy: -104.261 bonds (distance) P-C4' energy: -126.437 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -132.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1824.482314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.482314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.482314 (E_RNA) where: Base-Base interactions energy: -1195.756 where: short stacking energy: -532.854 Base-Backbone interact. energy: -4.393 local terms energy: -624.332584 where: bonds (distance) C4'-P energy: -119.409 bonds (distance) P-C4' energy: -135.165 flat angles C4'-P-C4' energy: -136.333 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -154.883 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: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1600.885616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.885616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.885616 (E_RNA) where: Base-Base interactions energy: -1023.072 where: short stacking energy: -463.038 Base-Backbone interact. energy: -0.866 local terms energy: -576.948428 where: bonds (distance) C4'-P energy: -110.888 bonds (distance) P-C4' energy: -128.297 flat angles C4'-P-C4' energy: -134.509 flat angles P-C4'-P energy: -89.800 tors. eta vs tors. theta energy: -113.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1424.355734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.355734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.355734 (E_RNA) where: Base-Base interactions energy: -940.778 where: short stacking energy: -440.326 Base-Backbone interact. energy: 3.098 local terms energy: -486.675482 where: bonds (distance) C4'-P energy: -101.011 bonds (distance) P-C4' energy: -102.849 flat angles C4'-P-C4' energy: -109.049 flat angles P-C4'-P energy: -68.460 tors. eta vs tors. theta energy: -105.306 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: 2 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1229.649876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.649876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.649876 (E_RNA) where: Base-Base interactions energy: -756.513 where: short stacking energy: -321.223 Base-Backbone interact. energy: -2.786 local terms energy: -470.350825 where: bonds (distance) C4'-P energy: -116.327 bonds (distance) P-C4' energy: -112.148 flat angles C4'-P-C4' energy: -113.662 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: -70.500 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: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -799.605179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.605179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.605179 (E_RNA) where: Base-Base interactions energy: -410.439 where: short stacking energy: -233.515 Base-Backbone interact. energy: -1.587 local terms energy: -387.579431 where: bonds (distance) C4'-P energy: -101.899 bonds (distance) P-C4' energy: -129.544 flat angles C4'-P-C4' energy: -101.509 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -744.582636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.582636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.582636 (E_RNA) where: Base-Base interactions energy: -347.435 where: short stacking energy: -225.269 Base-Backbone interact. energy: -0.890 local terms energy: -396.258141 where: bonds (distance) C4'-P energy: -102.144 bonds (distance) P-C4' energy: -96.586 flat angles C4'-P-C4' energy: -112.744 flat angles P-C4'-P energy: -58.863 tors. eta vs tors. theta energy: -25.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -550.601644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.601644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.601644 (E_RNA) where: Base-Base interactions energy: -210.417 where: short stacking energy: -172.060 Base-Backbone interact. energy: -2.050 local terms energy: -338.133932 where: bonds (distance) C4'-P energy: -102.874 bonds (distance) P-C4' energy: -98.759 flat angles C4'-P-C4' energy: -91.934 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: 11.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2059.130215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.130215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.130215 (E_RNA) where: Base-Base interactions energy: -1397.097 where: short stacking energy: -600.691 Base-Backbone interact. energy: -1.875 local terms energy: -660.158426 where: bonds (distance) C4'-P energy: -114.188 bonds (distance) P-C4' energy: -130.391 flat angles C4'-P-C4' energy: -144.627 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -170.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1992.531996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.531996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.531996 (E_RNA) where: Base-Base interactions energy: -1334.774 where: short stacking energy: -551.820 Base-Backbone interact. energy: -5.902 local terms energy: -651.856280 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -128.892 flat angles C4'-P-C4' energy: -136.145 flat angles P-C4'-P energy: -100.406 tors. eta vs tors. theta energy: -155.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1903.087858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.087858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.087858 (E_RNA) where: Base-Base interactions energy: -1281.328 where: short stacking energy: -578.859 Base-Backbone interact. energy: -1.180 local terms energy: -620.579176 where: bonds (distance) C4'-P energy: -107.531 bonds (distance) P-C4' energy: -139.624 flat angles C4'-P-C4' energy: -132.485 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -166.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1798.668373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.668373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.668373 (E_RNA) where: Base-Base interactions energy: -1212.870 where: short stacking energy: -517.181 Base-Backbone interact. energy: -4.378 local terms energy: -581.420199 where: bonds (distance) C4'-P energy: -99.705 bonds (distance) P-C4' energy: -118.279 flat angles C4'-P-C4' energy: -134.009 flat angles P-C4'-P energy: -87.670 tors. eta vs tors. theta energy: -141.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1602.438466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.438466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.438466 (E_RNA) where: Base-Base interactions energy: -1063.622 where: short stacking energy: -464.114 Base-Backbone interact. energy: -4.532 local terms energy: -534.284452 where: bonds (distance) C4'-P energy: -101.256 bonds (distance) P-C4' energy: -120.658 flat angles C4'-P-C4' energy: -136.233 flat angles P-C4'-P energy: -68.972 tors. eta vs tors. theta energy: -107.164 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: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1434.736280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.736280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.736280 (E_RNA) where: Base-Base interactions energy: -937.463 where: short stacking energy: -406.592 Base-Backbone interact. energy: 1.179 local terms energy: -498.451897 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -114.339 flat angles C4'-P-C4' energy: -118.697 flat angles P-C4'-P energy: -61.665 tors. eta vs tors. theta energy: -96.371 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: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1189.115354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.115354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.115354 (E_RNA) where: Base-Base interactions energy: -730.957 where: short stacking energy: -350.795 Base-Backbone interact. energy: -0.769 local terms energy: -457.389636 where: bonds (distance) C4'-P energy: -98.619 bonds (distance) P-C4' energy: -108.111 flat angles C4'-P-C4' energy: -119.058 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -79.979 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: 8, replica: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -805.286816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.286816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.286816 (E_RNA) where: Base-Base interactions energy: -447.428 where: short stacking energy: -221.105 Base-Backbone interact. energy: -0.496 local terms energy: -357.362471 where: bonds (distance) C4'-P energy: -91.052 bonds (distance) P-C4' energy: -99.705 flat angles C4'-P-C4' energy: -99.048 flat angles P-C4'-P energy: -53.252 tors. eta vs tors. theta energy: -14.304 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: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -719.410719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.410719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.410719 (E_RNA) where: Base-Base interactions energy: -364.741 where: short stacking energy: -228.775 Base-Backbone interact. energy: -1.270 local terms energy: -353.399518 where: bonds (distance) C4'-P energy: -94.933 bonds (distance) P-C4' energy: -115.161 flat angles C4'-P-C4' energy: -97.024 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -3.228 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: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -582.952971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.952971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.952971 (E_RNA) where: Base-Base interactions energy: -269.857 where: short stacking energy: -176.921 Base-Backbone interact. energy: -1.939 local terms energy: -311.157151 where: bonds (distance) C4'-P energy: -87.932 bonds (distance) P-C4' energy: -114.533 flat angles C4'-P-C4' energy: -70.326 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: 12.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2087.746295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.746295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.746295 (E_RNA) where: Base-Base interactions energy: -1427.155 where: short stacking energy: -638.367 Base-Backbone interact. energy: -4.246 local terms energy: -656.346202 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -127.769 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -91.455 tors. eta vs tors. theta energy: -168.413 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: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2019.538765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.538765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.538765 (E_RNA) where: Base-Base interactions energy: -1396.852 where: short stacking energy: -581.653 Base-Backbone interact. energy: -5.844 local terms energy: -616.842227 where: bonds (distance) C4'-P energy: -116.799 bonds (distance) P-C4' energy: -133.704 flat angles C4'-P-C4' energy: -126.325 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -157.571 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: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1880.220772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.220772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.220772 (E_RNA) where: Base-Base interactions energy: -1266.152 where: short stacking energy: -556.368 Base-Backbone interact. energy: 0.110 local terms energy: -614.178109 where: bonds (distance) C4'-P energy: -112.876 bonds (distance) P-C4' energy: -121.079 flat angles C4'-P-C4' energy: -134.099 flat angles P-C4'-P energy: -90.089 tors. eta vs tors. theta energy: -156.035 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: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1779.142099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.142099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.142099 (E_RNA) where: Base-Base interactions energy: -1173.227 where: short stacking energy: -504.107 Base-Backbone interact. energy: -4.008 local terms energy: -601.907157 where: bonds (distance) C4'-P energy: -124.788 bonds (distance) P-C4' energy: -115.858 flat angles C4'-P-C4' energy: -140.300 flat angles P-C4'-P energy: -90.433 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: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1566.115908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.115908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.115908 (E_RNA) where: Base-Base interactions energy: -1000.993 where: short stacking energy: -431.752 Base-Backbone interact. energy: -2.727 local terms energy: -562.396536 where: bonds (distance) C4'-P energy: -123.636 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -128.304 flat angles P-C4'-P energy: -78.031 tors. eta vs tors. theta energy: -105.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1412.121247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.121247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.121247 (E_RNA) where: Base-Base interactions energy: -899.210 where: short stacking energy: -415.928 Base-Backbone interact. energy: 1.133 local terms energy: -514.043524 where: bonds (distance) C4'-P energy: -106.096 bonds (distance) P-C4' energy: -121.555 flat angles C4'-P-C4' energy: -104.863 flat angles P-C4'-P energy: -73.811 tors. eta vs tors. theta energy: -107.718 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: 99 Temperature: 1.200000 Total energy: -1193.811217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.811217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.811217 (E_RNA) where: Base-Base interactions energy: -707.242 where: short stacking energy: -347.623 Base-Backbone interact. energy: -2.916 local terms energy: -483.653621 where: bonds (distance) C4'-P energy: -108.848 bonds (distance) P-C4' energy: -107.713 flat angles C4'-P-C4' energy: -122.421 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -80.918 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: 99 Temperature: 1.250000 Total energy: -789.564363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.564363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.564363 (E_RNA) where: Base-Base interactions energy: -367.142 where: short stacking energy: -201.784 Base-Backbone interact. energy: -0.711 local terms energy: -421.711901 where: bonds (distance) C4'-P energy: -113.606 bonds (distance) P-C4' energy: -119.947 flat angles C4'-P-C4' energy: -88.611 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -22.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -760.514765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.514765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.514765 (E_RNA) where: Base-Base interactions energy: -398.823 where: short stacking energy: -203.719 Base-Backbone interact. energy: -0.262 local terms energy: -361.429884 where: bonds (distance) C4'-P energy: -93.717 bonds (distance) P-C4' energy: -107.176 flat angles C4'-P-C4' energy: -93.089 flat angles P-C4'-P energy: -63.058 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -555.234926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.234926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.234926 (E_RNA) where: Base-Base interactions energy: -224.976 where: short stacking energy: -151.375 Base-Backbone interact. energy: -3.364 local terms energy: -326.895584 where: bonds (distance) C4'-P energy: -112.184 bonds (distance) P-C4' energy: -96.756 flat angles C4'-P-C4' energy: -86.674 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: 6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2077.983659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.983659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.983659 (E_RNA) where: Base-Base interactions energy: -1404.278 where: short stacking energy: -594.960 Base-Backbone interact. energy: 0.495 local terms energy: -674.200841 where: bonds (distance) C4'-P energy: -124.713 bonds (distance) P-C4' energy: -130.115 flat angles C4'-P-C4' energy: -153.301 flat angles P-C4'-P energy: -90.129 tors. eta vs tors. theta energy: -175.942 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: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2040.231248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.231248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.231248 (E_RNA) where: Base-Base interactions energy: -1431.271 where: short stacking energy: -581.528 Base-Backbone interact. energy: -1.841 local terms energy: -607.119176 where: bonds (distance) C4'-P energy: -112.184 bonds (distance) P-C4' energy: -116.184 flat angles C4'-P-C4' energy: -136.050 flat angles P-C4'-P energy: -86.516 tors. eta vs tors. theta energy: -156.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1868.130795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.130795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.130795 (E_RNA) where: Base-Base interactions energy: -1278.519 where: short stacking energy: -578.505 Base-Backbone interact. energy: 0.366 local terms energy: -589.977720 where: bonds (distance) C4'-P energy: -106.915 bonds (distance) P-C4' energy: -125.783 flat angles C4'-P-C4' energy: -124.413 flat angles P-C4'-P energy: -83.663 tors. eta vs tors. theta energy: -149.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1789.313109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.313109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.313109 (E_RNA) where: Base-Base interactions energy: -1207.482 where: short stacking energy: -518.911 Base-Backbone interact. energy: -1.070 local terms energy: -580.761082 where: bonds (distance) C4'-P energy: -122.772 bonds (distance) P-C4' energy: -116.293 flat angles C4'-P-C4' energy: -132.500 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -127.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1639.278783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.278783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.278783 (E_RNA) where: Base-Base interactions energy: -1057.768 where: short stacking energy: -481.841 Base-Backbone interact. energy: -3.566 local terms energy: -577.944642 where: bonds (distance) C4'-P energy: -112.603 bonds (distance) P-C4' energy: -126.129 flat angles C4'-P-C4' energy: -118.209 flat angles P-C4'-P energy: -79.135 tors. eta vs tors. theta energy: -141.868 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: 100 Temperature: 1.150000 Total energy: -1394.939592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.939592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.939592 (E_RNA) where: Base-Base interactions energy: -893.685 where: short stacking energy: -407.178 Base-Backbone interact. energy: -1.442 local terms energy: -499.812442 where: bonds (distance) C4'-P energy: -109.341 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -115.649 flat angles P-C4'-P energy: -56.313 tors. eta vs tors. theta energy: -86.574 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: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1186.529718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.529718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.529718 (E_RNA) where: Base-Base interactions energy: -728.867 where: short stacking energy: -375.166 Base-Backbone interact. energy: -1.828 local terms energy: -455.834701 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -100.272 flat angles C4'-P-C4' energy: -113.685 flat angles P-C4'-P energy: -74.307 tors. eta vs tors. theta energy: -70.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -753.098153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.098153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.098153 (E_RNA) where: Base-Base interactions energy: -387.045 where: short stacking energy: -241.783 Base-Backbone interact. energy: -0.394 local terms energy: -365.659239 where: bonds (distance) C4'-P energy: -94.306 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -99.014 flat angles P-C4'-P energy: -52.327 tors. eta vs tors. theta energy: -22.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -742.554299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.554299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.554299 (E_RNA) where: Base-Base interactions energy: -379.026 where: short stacking energy: -223.280 Base-Backbone interact. energy: -2.334 local terms energy: -361.193689 where: bonds (distance) C4'-P energy: -97.477 bonds (distance) P-C4' energy: -108.640 flat angles C4'-P-C4' energy: -92.825 flat angles P-C4'-P energy: -52.516 tors. eta vs tors. theta energy: -9.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -551.289456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.289456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.289456 (E_RNA) where: Base-Base interactions energy: -201.145 where: short stacking energy: -125.039 Base-Backbone interact. energy: 2.201 local terms energy: -352.344650 where: bonds (distance) C4'-P energy: -108.479 bonds (distance) P-C4' energy: -107.776 flat angles C4'-P-C4' energy: -88.198 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: 9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2079.332532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.332532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.332532 (E_RNA) where: Base-Base interactions energy: -1403.707 where: short stacking energy: -599.392 Base-Backbone interact. energy: -4.888 local terms energy: -670.737500 where: bonds (distance) C4'-P energy: -130.506 bonds (distance) P-C4' energy: -117.686 flat angles C4'-P-C4' energy: -151.483 flat angles P-C4'-P energy: -85.825 tors. eta vs tors. theta energy: -185.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2013.132363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.132363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.132363 (E_RNA) where: Base-Base interactions energy: -1381.754 where: short stacking energy: -585.030 Base-Backbone interact. energy: -3.885 local terms energy: -627.492677 where: bonds (distance) C4'-P energy: -120.445 bonds (distance) P-C4' energy: -120.180 flat angles C4'-P-C4' energy: -142.210 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -158.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1860.041605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.041605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.041605 (E_RNA) where: Base-Base interactions energy: -1243.435 where: short stacking energy: -558.177 Base-Backbone interact. energy: -4.719 local terms energy: -611.887576 where: bonds (distance) C4'-P energy: -114.654 bonds (distance) P-C4' energy: -120.189 flat angles C4'-P-C4' energy: -138.187 flat angles P-C4'-P energy: -79.022 tors. eta vs tors. theta energy: -159.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1770.603219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.603219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.603219 (E_RNA) where: Base-Base interactions energy: -1207.538 where: short stacking energy: -500.240 Base-Backbone interact. energy: 0.914 local terms energy: -563.978966 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -129.542 flat angles C4'-P-C4' energy: -124.935 flat angles P-C4'-P energy: -79.059 tors. eta vs tors. theta energy: -117.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1613.321163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.321163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.321163 (E_RNA) where: Base-Base interactions energy: -1078.759 where: short stacking energy: -478.673 Base-Backbone interact. energy: -4.758 local terms energy: -529.803779 where: bonds (distance) C4'-P energy: -103.093 bonds (distance) P-C4' energy: -103.121 flat angles C4'-P-C4' energy: -131.994 flat angles P-C4'-P energy: -86.923 tors. eta vs tors. theta energy: -104.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1417.249154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.249154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.249154 (E_RNA) where: Base-Base interactions energy: -933.513 where: short stacking energy: -448.764 Base-Backbone interact. energy: -1.137 local terms energy: -482.599707 where: bonds (distance) C4'-P energy: -81.968 bonds (distance) P-C4' energy: -122.806 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -53.758 tors. eta vs tors. theta energy: -112.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1175.362466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.362466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.362466 (E_RNA) where: Base-Base interactions energy: -748.723 where: short stacking energy: -341.426 Base-Backbone interact. energy: -0.727 local terms energy: -425.912440 where: bonds (distance) C4'-P energy: -114.541 bonds (distance) P-C4' energy: -101.091 flat angles C4'-P-C4' energy: -87.947 flat angles P-C4'-P energy: -55.776 tors. eta vs tors. theta energy: -66.557 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: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -788.248815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.248815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.248815 (E_RNA) where: Base-Base interactions energy: -417.346 where: short stacking energy: -230.753 Base-Backbone interact. energy: -0.914 local terms energy: -369.989149 where: bonds (distance) C4'-P energy: -98.123 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -91.613 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -23.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -716.425912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.425912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.425912 (E_RNA) where: Base-Base interactions energy: -349.734 where: short stacking energy: -214.058 Base-Backbone interact. energy: -1.305 local terms energy: -365.386945 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -100.295 flat angles C4'-P-C4' energy: -87.618 flat angles P-C4'-P energy: -60.870 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -542.359540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.359540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.359540 (E_RNA) where: Base-Base interactions energy: -201.169 where: short stacking energy: -162.292 Base-Backbone interact. energy: -1.026 local terms energy: -340.164459 where: bonds (distance) C4'-P energy: -104.260 bonds (distance) P-C4' energy: -106.387 flat angles C4'-P-C4' energy: -107.821 flat angles P-C4'-P energy: -45.738 tors. eta vs tors. theta energy: 24.041 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: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2094.801206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.801206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.801206 (E_RNA) where: Base-Base interactions energy: -1448.407 where: short stacking energy: -601.275 Base-Backbone interact. energy: -4.295 local terms energy: -642.098583 where: bonds (distance) C4'-P energy: -137.532 bonds (distance) P-C4' energy: -116.010 flat angles C4'-P-C4' energy: -134.936 flat angles P-C4'-P energy: -77.647 tors. eta vs tors. theta energy: -175.974 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: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2027.064899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.064899 (E_RNA) where: Base-Base interactions energy: -1402.866 where: short stacking energy: -560.270 Base-Backbone interact. energy: -4.947 local terms energy: -619.251938 where: bonds (distance) C4'-P energy: -121.153 bonds (distance) P-C4' energy: -122.290 flat angles C4'-P-C4' energy: -136.381 flat angles P-C4'-P energy: -83.240 tors. eta vs tors. theta energy: -156.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1876.822658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.822658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.822658 (E_RNA) where: Base-Base interactions energy: -1256.319 where: short stacking energy: -562.048 Base-Backbone interact. energy: 0.160 local terms energy: -620.663674 where: bonds (distance) C4'-P energy: -120.765 bonds (distance) P-C4' energy: -115.468 flat angles C4'-P-C4' energy: -128.552 flat angles P-C4'-P energy: -89.387 tors. eta vs tors. theta energy: -166.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1765.457169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.457169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.457169 (E_RNA) where: Base-Base interactions energy: -1200.850 where: short stacking energy: -496.202 Base-Backbone interact. energy: -4.520 local terms energy: -560.088070 where: bonds (distance) C4'-P energy: -122.279 bonds (distance) P-C4' energy: -106.037 flat angles C4'-P-C4' energy: -136.926 flat angles P-C4'-P energy: -70.460 tors. eta vs tors. theta energy: -124.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1554.499839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.499839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.499839 (E_RNA) where: Base-Base interactions energy: -994.484 where: short stacking energy: -450.333 Base-Backbone interact. energy: -7.792 local terms energy: -552.223361 where: bonds (distance) C4'-P energy: -98.336 bonds (distance) P-C4' energy: -121.443 flat angles C4'-P-C4' energy: -123.269 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: -131.827 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: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1368.221531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.221531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.221531 (E_RNA) where: Base-Base interactions energy: -867.439 where: short stacking energy: -380.139 Base-Backbone interact. energy: -1.605 local terms energy: -499.177228 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -112.821 flat angles C4'-P-C4' energy: -102.141 flat angles P-C4'-P energy: -74.733 tors. eta vs tors. theta energy: -92.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1221.696769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.696769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.696769 (E_RNA) where: Base-Base interactions energy: -777.818 where: short stacking energy: -381.311 Base-Backbone interact. energy: 0.884 local terms energy: -444.762683 where: bonds (distance) C4'-P energy: -103.522 bonds (distance) P-C4' energy: -96.279 flat angles C4'-P-C4' energy: -106.070 flat angles P-C4'-P energy: -62.566 tors. eta vs tors. theta energy: -76.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -877.861357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.861357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.861357 (E_RNA) where: Base-Base interactions energy: -465.528 where: short stacking energy: -252.498 Base-Backbone interact. energy: -2.622 local terms energy: -409.711662 where: bonds (distance) C4'-P energy: -116.872 bonds (distance) P-C4' energy: -94.150 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -55.189 tors. eta vs tors. theta energy: -27.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -755.649313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.649313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.649313 (E_RNA) where: Base-Base interactions energy: -398.652 where: short stacking energy: -255.525 Base-Backbone interact. energy: -0.700 local terms energy: -356.297791 where: bonds (distance) C4'-P energy: -101.954 bonds (distance) P-C4' energy: -109.756 flat angles C4'-P-C4' energy: -81.096 flat angles P-C4'-P energy: -51.312 tors. eta vs tors. theta energy: -12.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -564.662301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.662301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.662301 (E_RNA) where: Base-Base interactions energy: -244.984 where: short stacking energy: -146.985 Base-Backbone interact. energy: -0.528 local terms energy: -319.150485 where: bonds (distance) C4'-P energy: -104.259 bonds (distance) P-C4' energy: -111.171 flat angles C4'-P-C4' energy: -81.044 flat angles P-C4'-P energy: -38.355 tors. eta vs tors. theta energy: 15.679 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: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2076.008748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.008748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.008748 (E_RNA) where: Base-Base interactions energy: -1424.208 where: short stacking energy: -581.822 Base-Backbone interact. energy: -3.360 local terms energy: -648.440477 where: bonds (distance) C4'-P energy: -124.583 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -135.445 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: -164.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2066.674057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.674057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.674057 (E_RNA) where: Base-Base interactions energy: -1461.560 where: short stacking energy: -593.815 Base-Backbone interact. energy: -6.014 local terms energy: -599.100202 where: bonds (distance) C4'-P energy: -103.051 bonds (distance) P-C4' energy: -123.332 flat angles C4'-P-C4' energy: -141.457 flat angles P-C4'-P energy: -84.140 tors. eta vs tors. theta energy: -147.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1865.280747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.280747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.280747 (E_RNA) where: Base-Base interactions energy: -1260.085 where: short stacking energy: -570.172 Base-Backbone interact. energy: 6.045 local terms energy: -611.240040 where: bonds (distance) C4'-P energy: -114.413 bonds (distance) P-C4' energy: -119.576 flat angles C4'-P-C4' energy: -133.121 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -163.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1772.676225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.676225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.676225 (E_RNA) where: Base-Base interactions energy: -1203.794 where: short stacking energy: -510.241 Base-Backbone interact. energy: 2.412 local terms energy: -571.294433 where: bonds (distance) C4'-P energy: -114.560 bonds (distance) P-C4' energy: -114.467 flat angles C4'-P-C4' energy: -138.385 flat angles P-C4'-P energy: -79.300 tors. eta vs tors. theta energy: -124.582 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: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1560.129648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.129648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.129648 (E_RNA) where: Base-Base interactions energy: -1006.672 where: short stacking energy: -446.652 Base-Backbone interact. energy: -2.523 local terms energy: -550.934531 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -118.027 flat angles C4'-P-C4' energy: -120.491 flat angles P-C4'-P energy: -69.913 tors. eta vs tors. theta energy: -120.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1413.566016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.566016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.566016 (E_RNA) where: Base-Base interactions energy: -903.057 where: short stacking energy: -392.443 Base-Backbone interact. energy: -0.492 local terms energy: -510.016720 where: bonds (distance) C4'-P energy: -101.569 bonds (distance) P-C4' energy: -113.646 flat angles C4'-P-C4' energy: -119.975 flat angles P-C4'-P energy: -76.037 tors. eta vs tors. theta energy: -98.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1186.707839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.707839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.707839 (E_RNA) where: Base-Base interactions energy: -759.377 where: short stacking energy: -380.748 Base-Backbone interact. energy: 4.689 local terms energy: -432.019136 where: bonds (distance) C4'-P energy: -84.936 bonds (distance) P-C4' energy: -87.568 flat angles C4'-P-C4' energy: -121.005 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -88.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -857.593684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.593684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.593684 (E_RNA) where: Base-Base interactions energy: -457.945 where: short stacking energy: -234.917 Base-Backbone interact. energy: -1.195 local terms energy: -398.453414 where: bonds (distance) C4'-P energy: -108.456 bonds (distance) P-C4' energy: -118.404 flat angles C4'-P-C4' energy: -100.347 flat angles P-C4'-P energy: -58.707 tors. eta vs tors. theta energy: -12.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -760.423203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.423203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.423203 (E_RNA) where: Base-Base interactions energy: -424.412 where: short stacking energy: -229.402 Base-Backbone interact. energy: 3.137 local terms energy: -339.148206 where: bonds (distance) C4'-P energy: -91.224 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -96.072 flat angles P-C4'-P energy: -58.662 tors. eta vs tors. theta energy: -0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -569.609067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.609067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.609067 (E_RNA) where: Base-Base interactions energy: -235.463 where: short stacking energy: -150.704 Base-Backbone interact. energy: 1.213 local terms energy: -335.359905 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -114.321 flat angles C4'-P-C4' energy: -88.926 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: 16.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2155.625709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.625709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.625709 (E_RNA) where: Base-Base interactions energy: -1508.029 where: short stacking energy: -606.586 Base-Backbone interact. energy: -9.587 local terms energy: -638.009598 where: bonds (distance) C4'-P energy: -110.323 bonds (distance) P-C4' energy: -134.347 flat angles C4'-P-C4' energy: -141.818 flat angles P-C4'-P energy: -93.664 tors. eta vs tors. theta energy: -157.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2008.832764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.832764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.832764 (E_RNA) where: Base-Base interactions energy: -1393.931 where: short stacking energy: -581.225 Base-Backbone interact. energy: -5.110 local terms energy: -609.791493 where: bonds (distance) C4'-P energy: -102.661 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -136.542 flat angles P-C4'-P energy: -81.109 tors. eta vs tors. theta energy: -162.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1900.729401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.729401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.729401 (E_RNA) where: Base-Base interactions energy: -1263.855 where: short stacking energy: -574.295 Base-Backbone interact. energy: -2.124 local terms energy: -634.750642 where: bonds (distance) C4'-P energy: -116.993 bonds (distance) P-C4' energy: -126.781 flat angles C4'-P-C4' energy: -131.050 flat angles P-C4'-P energy: -88.196 tors. eta vs tors. theta energy: -171.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1771.948835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.948835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.948835 (E_RNA) where: Base-Base interactions energy: -1207.823 where: short stacking energy: -506.161 Base-Backbone interact. energy: -3.896 local terms energy: -560.229635 where: bonds (distance) C4'-P energy: -103.628 bonds (distance) P-C4' energy: -119.217 flat angles C4'-P-C4' energy: -120.941 flat angles P-C4'-P energy: -88.187 tors. eta vs tors. theta energy: -128.257 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: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1491.308386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.308386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.308386 (E_RNA) where: Base-Base interactions energy: -967.519 where: short stacking energy: -427.883 Base-Backbone interact. energy: -3.620 local terms energy: -520.168826 where: bonds (distance) C4'-P energy: -102.114 bonds (distance) P-C4' energy: -124.839 flat angles C4'-P-C4' energy: -116.766 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: -105.043 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: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1489.408083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.408083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.408083 (E_RNA) where: Base-Base interactions energy: -947.182 where: short stacking energy: -412.321 Base-Backbone interact. energy: 0.805 local terms energy: -543.030515 where: bonds (distance) C4'-P energy: -127.235 bonds (distance) P-C4' energy: -109.472 flat angles C4'-P-C4' energy: -141.374 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -111.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1196.816623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.816623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.816623 (E_RNA) where: Base-Base interactions energy: -781.872 where: short stacking energy: -352.585 Base-Backbone interact. energy: -6.009 local terms energy: -408.936331 where: bonds (distance) C4'-P energy: -83.983 bonds (distance) P-C4' energy: -98.180 flat angles C4'-P-C4' energy: -107.994 flat angles P-C4'-P energy: -52.601 tors. eta vs tors. theta energy: -66.178 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: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -849.418566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.418566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.418566 (E_RNA) where: Base-Base interactions energy: -471.086 where: short stacking energy: -257.967 Base-Backbone interact. energy: 8.248 local terms energy: -386.580819 where: bonds (distance) C4'-P energy: -101.692 bonds (distance) P-C4' energy: -97.526 flat angles C4'-P-C4' energy: -87.314 flat angles P-C4'-P energy: -66.561 tors. eta vs tors. theta energy: -33.487 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: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -708.708800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.708800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.708800 (E_RNA) where: Base-Base interactions energy: -345.482 where: short stacking energy: -213.786 Base-Backbone interact. energy: 1.062 local terms energy: -364.288143 where: bonds (distance) C4'-P energy: -113.847 bonds (distance) P-C4' energy: -106.465 flat angles C4'-P-C4' energy: -81.603 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -9.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -535.501653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.501653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.501653 (E_RNA) where: Base-Base interactions energy: -206.222 where: short stacking energy: -126.142 Base-Backbone interact. energy: 10.126 local terms energy: -339.405545 where: bonds (distance) C4'-P energy: -105.531 bonds (distance) P-C4' energy: -102.328 flat angles C4'-P-C4' energy: -103.578 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: 22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2163.732108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.732108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.732108 (E_RNA) where: Base-Base interactions energy: -1492.291 where: short stacking energy: -626.925 Base-Backbone interact. energy: -7.589 local terms energy: -663.851504 where: bonds (distance) C4'-P energy: -120.021 bonds (distance) P-C4' energy: -131.518 flat angles C4'-P-C4' energy: -146.709 flat angles P-C4'-P energy: -99.321 tors. eta vs tors. theta energy: -166.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2038.960524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.960524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.960524 (E_RNA) where: Base-Base interactions energy: -1366.316 where: short stacking energy: -586.003 Base-Backbone interact. energy: -3.413 local terms energy: -669.231882 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -131.916 flat angles C4'-P-C4' energy: -147.239 flat angles P-C4'-P energy: -94.163 tors. eta vs tors. theta energy: -177.664 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: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1878.104846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.104846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.104846 (E_RNA) where: Base-Base interactions energy: -1225.115 where: short stacking energy: -567.374 Base-Backbone interact. energy: -2.190 local terms energy: -650.799514 where: bonds (distance) C4'-P energy: -122.252 bonds (distance) P-C4' energy: -134.197 flat angles C4'-P-C4' energy: -136.508 flat angles P-C4'-P energy: -91.939 tors. eta vs tors. theta energy: -165.903 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: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1731.128208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.128208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.128208 (E_RNA) where: Base-Base interactions energy: -1158.459 where: short stacking energy: -499.829 Base-Backbone interact. energy: -3.259 local terms energy: -569.411015 where: bonds (distance) C4'-P energy: -108.231 bonds (distance) P-C4' energy: -135.320 flat angles C4'-P-C4' energy: -119.637 flat angles P-C4'-P energy: -83.875 tors. eta vs tors. theta energy: -122.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1515.812027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.812027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.812027 (E_RNA) where: Base-Base interactions energy: -993.295 where: short stacking energy: -454.889 Base-Backbone interact. energy: -1.099 local terms energy: -521.418804 where: bonds (distance) C4'-P energy: -99.266 bonds (distance) P-C4' energy: -111.387 flat angles C4'-P-C4' energy: -117.534 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -106.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1402.064476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.064476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.064476 (E_RNA) where: Base-Base interactions energy: -904.733 where: short stacking energy: -405.050 Base-Backbone interact. energy: -0.750 local terms energy: -496.580852 where: bonds (distance) C4'-P energy: -104.961 bonds (distance) P-C4' energy: -112.218 flat angles C4'-P-C4' energy: -107.226 flat angles P-C4'-P energy: -66.015 tors. eta vs tors. theta energy: -106.161 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: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1182.593826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.593826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.593826 (E_RNA) where: Base-Base interactions energy: -719.378 where: short stacking energy: -339.143 Base-Backbone interact. energy: -2.711 local terms energy: -460.504651 where: bonds (distance) C4'-P energy: -114.273 bonds (distance) P-C4' energy: -107.989 flat angles C4'-P-C4' energy: -110.675 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -61.734 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: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -820.420747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.420747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.420747 (E_RNA) where: Base-Base interactions energy: -477.121 where: short stacking energy: -246.771 Base-Backbone interact. energy: -4.585 local terms energy: -338.715307 where: bonds (distance) C4'-P energy: -86.915 bonds (distance) P-C4' energy: -97.727 flat angles C4'-P-C4' energy: -79.431 flat angles P-C4'-P energy: -51.491 tors. eta vs tors. theta energy: -23.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -705.407579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.407579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.407579 (E_RNA) where: Base-Base interactions energy: -346.771 where: short stacking energy: -217.904 Base-Backbone interact. energy: 5.516 local terms energy: -364.153235 where: bonds (distance) C4'-P energy: -95.202 bonds (distance) P-C4' energy: -104.835 flat angles C4'-P-C4' energy: -104.024 flat angles P-C4'-P energy: -42.204 tors. eta vs tors. theta energy: -17.888 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: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -566.129767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.129767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.129767 (E_RNA) where: Base-Base interactions energy: -222.609 where: short stacking energy: -156.300 Base-Backbone interact. energy: 0.906 local terms energy: -344.427397 where: bonds (distance) C4'-P energy: -106.210 bonds (distance) P-C4' energy: -91.967 flat angles C4'-P-C4' energy: -110.452 flat angles P-C4'-P energy: -51.260 tors. eta vs tors. theta energy: 15.461 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: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2098.445739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.445739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.445739 (E_RNA) where: Base-Base interactions energy: -1446.538 where: short stacking energy: -613.433 Base-Backbone interact. energy: -4.644 local terms energy: -647.263669 where: bonds (distance) C4'-P energy: -137.342 bonds (distance) P-C4' energy: -129.697 flat angles C4'-P-C4' energy: -135.136 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -159.360 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: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2081.529510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.529510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.529510 (E_RNA) where: Base-Base interactions energy: -1427.028 where: short stacking energy: -614.682 Base-Backbone interact. energy: -5.240 local terms energy: -649.261941 where: bonds (distance) C4'-P energy: -110.274 bonds (distance) P-C4' energy: -137.993 flat angles C4'-P-C4' energy: -131.893 flat angles P-C4'-P energy: -93.352 tors. eta vs tors. theta energy: -175.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1936.155019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.155019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.155019 (E_RNA) where: Base-Base interactions energy: -1292.005 where: short stacking energy: -607.726 Base-Backbone interact. energy: 1.826 local terms energy: -645.976019 where: bonds (distance) C4'-P energy: -118.079 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -142.023 flat angles P-C4'-P energy: -84.808 tors. eta vs tors. theta energy: -171.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1765.240108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.240108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.240108 (E_RNA) where: Base-Base interactions energy: -1199.848 where: short stacking energy: -532.650 Base-Backbone interact. energy: -4.231 local terms energy: -561.160838 where: bonds (distance) C4'-P energy: -102.864 bonds (distance) P-C4' energy: -113.004 flat angles C4'-P-C4' energy: -117.328 flat angles P-C4'-P energy: -85.453 tors. eta vs tors. theta energy: -142.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1496.463793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.463793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.463793 (E_RNA) where: Base-Base interactions energy: -968.970 where: short stacking energy: -441.293 Base-Backbone interact. energy: 1.149 local terms energy: -528.642834 where: bonds (distance) C4'-P energy: -118.026 bonds (distance) P-C4' energy: -117.841 flat angles C4'-P-C4' energy: -112.645 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -101.876 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: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1409.291043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.291043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.291043 (E_RNA) where: Base-Base interactions energy: -878.288 where: short stacking energy: -381.154 Base-Backbone interact. energy: -3.230 local terms energy: -527.772433 where: bonds (distance) C4'-P energy: -109.005 bonds (distance) P-C4' energy: -116.057 flat angles C4'-P-C4' energy: -131.962 flat angles P-C4'-P energy: -75.392 tors. eta vs tors. theta energy: -95.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1173.883031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.883031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.883031 (E_RNA) where: Base-Base interactions energy: -710.104 where: short stacking energy: -333.800 Base-Backbone interact. energy: -1.245 local terms energy: -462.534016 where: bonds (distance) C4'-P energy: -103.200 bonds (distance) P-C4' energy: -111.178 flat angles C4'-P-C4' energy: -117.531 flat angles P-C4'-P energy: -66.937 tors. eta vs tors. theta energy: -63.687 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: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -787.124722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.124722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.124722 (E_RNA) where: Base-Base interactions energy: -409.798 where: short stacking energy: -269.957 Base-Backbone interact. energy: -0.610 local terms energy: -376.715915 where: bonds (distance) C4'-P energy: -91.828 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -98.067 flat angles P-C4'-P energy: -61.596 tors. eta vs tors. theta energy: -10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -697.142322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.142322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.142322 (E_RNA) where: Base-Base interactions energy: -328.760 where: short stacking energy: -198.281 Base-Backbone interact. energy: 0.918 local terms energy: -369.300368 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -102.553 flat angles C4'-P-C4' energy: -100.462 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: 2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -576.266781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.266781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.266781 (E_RNA) where: Base-Base interactions energy: -253.756 where: short stacking energy: -163.521 Base-Backbone interact. energy: -1.719 local terms energy: -320.791456 where: bonds (distance) C4'-P energy: -100.814 bonds (distance) P-C4' energy: -112.187 flat angles C4'-P-C4' energy: -79.184 flat angles P-C4'-P energy: -38.132 tors. eta vs tors. theta energy: 9.525 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: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2124.043219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.043219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.043219 (E_RNA) where: Base-Base interactions energy: -1473.291 where: short stacking energy: -584.941 Base-Backbone interact. energy: -1.619 local terms energy: -649.133291 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -132.911 flat angles C4'-P-C4' energy: -143.613 flat angles P-C4'-P energy: -95.961 tors. eta vs tors. theta energy: -152.528 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: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2039.823499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.823499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.823499 (E_RNA) where: Base-Base interactions energy: -1411.689 where: short stacking energy: -584.835 Base-Backbone interact. energy: 0.804 local terms energy: -628.939051 where: bonds (distance) C4'-P energy: -109.009 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -134.266 flat angles P-C4'-P energy: -88.363 tors. eta vs tors. theta energy: -168.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1935.080671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.080671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.080671 (E_RNA) where: Base-Base interactions energy: -1302.621 where: short stacking energy: -602.306 Base-Backbone interact. energy: -2.885 local terms energy: -629.575399 where: bonds (distance) C4'-P energy: -114.487 bonds (distance) P-C4' energy: -130.577 flat angles C4'-P-C4' energy: -139.162 flat angles P-C4'-P energy: -68.959 tors. eta vs tors. theta energy: -176.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1759.573205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.573205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.573205 (E_RNA) where: Base-Base interactions energy: -1172.941 where: short stacking energy: -518.660 Base-Backbone interact. energy: -2.263 local terms energy: -584.369848 where: bonds (distance) C4'-P energy: -111.307 bonds (distance) P-C4' energy: -116.942 flat angles C4'-P-C4' energy: -137.187 flat angles P-C4'-P energy: -80.964 tors. eta vs tors. theta energy: -137.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1566.701158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.701158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.701158 (E_RNA) where: Base-Base interactions energy: -1015.807 where: short stacking energy: -457.118 Base-Backbone interact. energy: -2.605 local terms energy: -548.289055 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -121.620 flat angles C4'-P-C4' energy: -127.473 flat angles P-C4'-P energy: -72.093 tors. eta vs tors. theta energy: -124.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1320.408702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.408702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.408702 (E_RNA) where: Base-Base interactions energy: -843.632 where: short stacking energy: -394.083 Base-Backbone interact. energy: 0.736 local terms energy: -477.512014 where: bonds (distance) C4'-P energy: -97.142 bonds (distance) P-C4' energy: -108.623 flat angles C4'-P-C4' energy: -118.358 flat angles P-C4'-P energy: -63.644 tors. eta vs tors. theta energy: -89.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1184.282274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.282274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.282274 (E_RNA) where: Base-Base interactions energy: -712.643 where: short stacking energy: -337.152 Base-Backbone interact. energy: 0.114 local terms energy: -471.752651 where: bonds (distance) C4'-P energy: -107.960 bonds (distance) P-C4' energy: -115.193 flat angles C4'-P-C4' energy: -101.965 flat angles P-C4'-P energy: -78.192 tors. eta vs tors. theta energy: -68.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -767.931919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.931919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.931919 (E_RNA) where: Base-Base interactions energy: -364.544 where: short stacking energy: -226.090 Base-Backbone interact. energy: 2.877 local terms energy: -406.264698 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -102.993 flat angles C4'-P-C4' energy: -102.083 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: -34.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -661.139691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.139691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.139691 (E_RNA) where: Base-Base interactions energy: -266.779 where: short stacking energy: -183.992 Base-Backbone interact. energy: -0.123 local terms energy: -394.237654 where: bonds (distance) C4'-P energy: -106.384 bonds (distance) P-C4' energy: -117.152 flat angles C4'-P-C4' energy: -110.891 flat angles P-C4'-P energy: -56.661 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -547.871752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.871752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.871752 (E_RNA) where: Base-Base interactions energy: -221.649 where: short stacking energy: -159.850 Base-Backbone interact. energy: 7.851 local terms energy: -334.073632 where: bonds (distance) C4'-P energy: -100.535 bonds (distance) P-C4' energy: -96.891 flat angles C4'-P-C4' energy: -95.023 flat angles P-C4'-P energy: -37.792 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2084.610760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.610760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.610760 (E_RNA) where: Base-Base interactions energy: -1440.230 where: short stacking energy: -617.880 Base-Backbone interact. energy: -4.744 local terms energy: -639.636101 where: bonds (distance) C4'-P energy: -111.933 bonds (distance) P-C4' energy: -121.644 flat angles C4'-P-C4' energy: -140.920 flat angles P-C4'-P energy: -100.179 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: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2019.366722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.366722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.366722 (E_RNA) where: Base-Base interactions energy: -1370.821 where: short stacking energy: -578.260 Base-Backbone interact. energy: -3.300 local terms energy: -645.245740 where: bonds (distance) C4'-P energy: -116.995 bonds (distance) P-C4' energy: -133.617 flat angles C4'-P-C4' energy: -140.064 flat angles P-C4'-P energy: -83.992 tors. eta vs tors. theta energy: -170.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1874.141383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.141383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.141383 (E_RNA) where: Base-Base interactions energy: -1273.358 where: short stacking energy: -560.070 Base-Backbone interact. energy: 1.356 local terms energy: -602.139593 where: bonds (distance) C4'-P energy: -107.737 bonds (distance) P-C4' energy: -120.551 flat angles C4'-P-C4' energy: -134.039 flat angles P-C4'-P energy: -77.652 tors. eta vs tors. theta energy: -162.160 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: 108 Temperature: 1.050000 Total energy: -1770.586676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.586676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.586676 (E_RNA) where: Base-Base interactions energy: -1187.094 where: short stacking energy: -542.162 Base-Backbone interact. energy: -4.040 local terms energy: -579.453545 where: bonds (distance) C4'-P energy: -133.405 bonds (distance) P-C4' energy: -100.881 flat angles C4'-P-C4' energy: -132.905 flat angles P-C4'-P energy: -72.561 tors. eta vs tors. theta energy: -139.701 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: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1559.240739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.240739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.240739 (E_RNA) where: Base-Base interactions energy: -1005.908 where: short stacking energy: -461.487 Base-Backbone interact. energy: -2.663 local terms energy: -550.669815 where: bonds (distance) C4'-P energy: -107.679 bonds (distance) P-C4' energy: -114.974 flat angles C4'-P-C4' energy: -115.222 flat angles P-C4'-P energy: -82.095 tors. eta vs tors. theta energy: -130.699 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: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1430.118475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.118475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.118475 (E_RNA) where: Base-Base interactions energy: -892.602 where: short stacking energy: -437.446 Base-Backbone interact. energy: -1.697 local terms energy: -535.819302 where: bonds (distance) C4'-P energy: -104.473 bonds (distance) P-C4' energy: -116.196 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -92.057 tors. eta vs tors. theta energy: -104.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1207.074115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.074115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.074115 (E_RNA) where: Base-Base interactions energy: -747.072 where: short stacking energy: -353.624 Base-Backbone interact. energy: 0.253 local terms energy: -460.254808 where: bonds (distance) C4'-P energy: -97.779 bonds (distance) P-C4' energy: -106.696 flat angles C4'-P-C4' energy: -112.836 flat angles P-C4'-P energy: -67.689 tors. eta vs tors. theta energy: -75.255 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: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -785.859319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.859319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.859319 (E_RNA) where: Base-Base interactions energy: -366.123 where: short stacking energy: -233.842 Base-Backbone interact. energy: 1.241 local terms energy: -420.976735 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -110.347 flat angles C4'-P-C4' energy: -109.444 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -33.928 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: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -637.876553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.876553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.876553 (E_RNA) where: Base-Base interactions energy: -274.877 where: short stacking energy: -171.106 Base-Backbone interact. energy: 3.690 local terms energy: -366.689564 where: bonds (distance) C4'-P energy: -102.080 bonds (distance) P-C4' energy: -115.883 flat angles C4'-P-C4' energy: -85.285 flat angles P-C4'-P energy: -61.376 tors. eta vs tors. theta energy: -2.066 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: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -580.168649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.168649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.168649 (E_RNA) where: Base-Base interactions energy: -249.036 where: short stacking energy: -186.097 Base-Backbone interact. energy: 0.339 local terms energy: -331.471262 where: bonds (distance) C4'-P energy: -118.511 bonds (distance) P-C4' energy: -106.240 flat angles C4'-P-C4' energy: -74.269 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: 12.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2085.508024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.508024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.508024 (E_RNA) where: Base-Base interactions energy: -1417.747 where: short stacking energy: -607.987 Base-Backbone interact. energy: 0.906 local terms energy: -668.666673 where: bonds (distance) C4'-P energy: -127.568 bonds (distance) P-C4' energy: -136.753 flat angles C4'-P-C4' energy: -143.787 flat angles P-C4'-P energy: -105.130 tors. eta vs tors. theta energy: -155.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2050.669299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.669299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.669299 (E_RNA) where: Base-Base interactions energy: -1394.589 where: short stacking energy: -591.362 Base-Backbone interact. energy: -1.189 local terms energy: -654.891967 where: bonds (distance) C4'-P energy: -118.363 bonds (distance) P-C4' energy: -124.030 flat angles C4'-P-C4' energy: -147.030 flat angles P-C4'-P energy: -94.945 tors. eta vs tors. theta energy: -170.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1902.379606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.379606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.379606 (E_RNA) where: Base-Base interactions energy: -1273.346 where: short stacking energy: -572.102 Base-Backbone interact. energy: -1.182 local terms energy: -627.851865 where: bonds (distance) C4'-P energy: -119.615 bonds (distance) P-C4' energy: -113.093 flat angles C4'-P-C4' energy: -141.238 flat angles P-C4'-P energy: -92.478 tors. eta vs tors. theta energy: -161.429 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: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1800.296040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.296040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.296040 (E_RNA) where: Base-Base interactions energy: -1227.403 where: short stacking energy: -535.419 Base-Backbone interact. energy: -1.326 local terms energy: -571.566933 where: bonds (distance) C4'-P energy: -107.039 bonds (distance) P-C4' energy: -122.544 flat angles C4'-P-C4' energy: -128.381 flat angles P-C4'-P energy: -75.394 tors. eta vs tors. theta energy: -138.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1560.733923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.733923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.733923 (E_RNA) where: Base-Base interactions energy: -1032.854 where: short stacking energy: -485.042 Base-Backbone interact. energy: -1.887 local terms energy: -525.993054 where: bonds (distance) C4'-P energy: -112.382 bonds (distance) P-C4' energy: -109.269 flat angles C4'-P-C4' energy: -124.853 flat angles P-C4'-P energy: -63.638 tors. eta vs tors. theta energy: -115.852 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: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1385.478919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.478919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.478919 (E_RNA) where: Base-Base interactions energy: -874.152 where: short stacking energy: -419.786 Base-Backbone interact. energy: -2.366 local terms energy: -508.960257 where: bonds (distance) C4'-P energy: -104.302 bonds (distance) P-C4' energy: -120.249 flat angles C4'-P-C4' energy: -126.315 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -92.239 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: 109 Temperature: 1.200000 Total energy: -1086.045410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.045410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.045410 (E_RNA) where: Base-Base interactions energy: -684.952 where: short stacking energy: -341.644 Base-Backbone interact. energy: -1.304 local terms energy: -399.790089 where: bonds (distance) C4'-P energy: -79.681 bonds (distance) P-C4' energy: -104.768 flat angles C4'-P-C4' energy: -95.047 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -50.919 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: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -774.815555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.815555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.815555 (E_RNA) where: Base-Base interactions energy: -404.773 where: short stacking energy: -229.608 Base-Backbone interact. energy: 0.792 local terms energy: -370.835053 where: bonds (distance) C4'-P energy: -114.492 bonds (distance) P-C4' energy: -107.156 flat angles C4'-P-C4' energy: -96.786 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -7.954 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: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -601.918646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.918646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.918646 (E_RNA) where: Base-Base interactions energy: -253.663 where: short stacking energy: -170.144 Base-Backbone interact. energy: -1.054 local terms energy: -347.201964 where: bonds (distance) C4'-P energy: -115.260 bonds (distance) P-C4' energy: -102.446 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: 9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -487.201930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.201930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.201930 (E_RNA) where: Base-Base interactions energy: -190.852 where: short stacking energy: -137.205 Base-Backbone interact. energy: -2.847 local terms energy: -293.503048 where: bonds (distance) C4'-P energy: -110.699 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -88.774 flat angles P-C4'-P energy: -19.472 tors. eta vs tors. theta energy: 29.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2074.918886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.918886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.918886 (E_RNA) where: Base-Base interactions energy: -1432.805 where: short stacking energy: -589.462 Base-Backbone interact. energy: -2.838 local terms energy: -639.275847 where: bonds (distance) C4'-P energy: -132.069 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -87.796 tors. eta vs tors. theta energy: -156.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2017.896825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.896825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.896825 (E_RNA) where: Base-Base interactions energy: -1355.319 where: short stacking energy: -583.849 Base-Backbone interact. energy: -2.335 local terms energy: -660.242543 where: bonds (distance) C4'-P energy: -120.887 bonds (distance) P-C4' energy: -123.858 flat angles C4'-P-C4' energy: -145.439 flat angles P-C4'-P energy: -93.918 tors. eta vs tors. theta energy: -176.140 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: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1923.432696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.432696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.432696 (E_RNA) where: Base-Base interactions energy: -1306.006 where: short stacking energy: -591.875 Base-Backbone interact. energy: -4.633 local terms energy: -612.793525 where: bonds (distance) C4'-P energy: -109.742 bonds (distance) P-C4' energy: -106.313 flat angles C4'-P-C4' energy: -125.155 flat angles P-C4'-P energy: -96.631 tors. eta vs tors. theta energy: -174.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1784.060272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.060272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.060272 (E_RNA) where: Base-Base interactions energy: -1230.562 where: short stacking energy: -537.593 Base-Backbone interact. energy: -0.913 local terms energy: -552.586262 where: bonds (distance) C4'-P energy: -116.005 bonds (distance) P-C4' energy: -100.683 flat angles C4'-P-C4' energy: -116.397 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -140.548 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1561.931854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.931854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.931854 (E_RNA) where: Base-Base interactions energy: -997.450 where: short stacking energy: -400.412 Base-Backbone interact. energy: -1.366 local terms energy: -563.115792 where: bonds (distance) C4'-P energy: -109.662 bonds (distance) P-C4' energy: -132.791 flat angles C4'-P-C4' energy: -127.428 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -109.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1399.119146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.119146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.119146 (E_RNA) where: Base-Base interactions energy: -903.857 where: short stacking energy: -411.890 Base-Backbone interact. energy: -4.407 local terms energy: -490.854767 where: bonds (distance) C4'-P energy: -117.704 bonds (distance) P-C4' energy: -113.875 flat angles C4'-P-C4' energy: -103.007 flat angles P-C4'-P energy: -60.411 tors. eta vs tors. theta energy: -95.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1103.787047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.787047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.787047 (E_RNA) where: Base-Base interactions energy: -655.482 where: short stacking energy: -332.469 Base-Backbone interact. energy: -3.116 local terms energy: -445.189068 where: bonds (distance) C4'-P energy: -105.236 bonds (distance) P-C4' energy: -109.096 flat angles C4'-P-C4' energy: -107.930 flat angles P-C4'-P energy: -64.455 tors. eta vs tors. theta energy: -58.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -785.547679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.547679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.547679 (E_RNA) where: Base-Base interactions energy: -406.097 where: short stacking energy: -234.155 Base-Backbone interact. energy: 0.687 local terms energy: -380.138427 where: bonds (distance) C4'-P energy: -108.351 bonds (distance) P-C4' energy: -112.228 flat angles C4'-P-C4' energy: -90.560 flat angles P-C4'-P energy: -58.995 tors. eta vs tors. theta energy: -10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -541.429502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.429502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.429502 (E_RNA) where: Base-Base interactions energy: -230.857 where: short stacking energy: -152.952 Base-Backbone interact. energy: -2.940 local terms energy: -307.632559 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -114.265 flat angles C4'-P-C4' energy: -71.298 flat angles P-C4'-P energy: -39.935 tors. eta vs tors. theta energy: 23.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -497.876747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.876747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.876747 (E_RNA) where: Base-Base interactions energy: -179.454 where: short stacking energy: -152.200 Base-Backbone interact. energy: 4.720 local terms energy: -323.142926 where: bonds (distance) C4'-P energy: -104.746 bonds (distance) P-C4' energy: -119.108 flat angles C4'-P-C4' energy: -92.199 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: 24.218 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: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2083.186160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.186160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.186160 (E_RNA) where: Base-Base interactions energy: -1417.257 where: short stacking energy: -599.651 Base-Backbone interact. energy: -4.115 local terms energy: -661.814271 where: bonds (distance) C4'-P energy: -140.433 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -151.200 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -156.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2009.316564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.316564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.316564 (E_RNA) where: Base-Base interactions energy: -1374.629 where: short stacking energy: -592.251 Base-Backbone interact. energy: -0.581 local terms energy: -634.106045 where: bonds (distance) C4'-P energy: -117.349 bonds (distance) P-C4' energy: -119.656 flat angles C4'-P-C4' energy: -133.412 flat angles P-C4'-P energy: -87.972 tors. eta vs tors. theta energy: -175.716 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1901.677713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.677713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.677713 (E_RNA) where: Base-Base interactions energy: -1284.841 where: short stacking energy: -570.056 Base-Backbone interact. energy: -3.265 local terms energy: -613.571215 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -124.406 flat angles C4'-P-C4' energy: -134.406 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -157.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1779.484086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.484086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.484086 (E_RNA) where: Base-Base interactions energy: -1212.429 where: short stacking energy: -538.945 Base-Backbone interact. energy: -1.965 local terms energy: -565.089708 where: bonds (distance) C4'-P energy: -96.512 bonds (distance) P-C4' energy: -122.317 flat angles C4'-P-C4' energy: -140.568 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: -135.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1548.778418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.778418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.778418 (E_RNA) where: Base-Base interactions energy: -994.592 where: short stacking energy: -463.904 Base-Backbone interact. energy: -1.526 local terms energy: -552.660912 where: bonds (distance) C4'-P energy: -106.125 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -129.669 flat angles P-C4'-P energy: -86.618 tors. eta vs tors. theta energy: -110.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1437.393000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.393000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.393000 (E_RNA) where: Base-Base interactions energy: -924.655 where: short stacking energy: -424.522 Base-Backbone interact. energy: -2.604 local terms energy: -510.134548 where: bonds (distance) C4'-P energy: -88.854 bonds (distance) P-C4' energy: -122.841 flat angles C4'-P-C4' energy: -125.094 flat angles P-C4'-P energy: -65.681 tors. eta vs tors. theta energy: -107.665 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: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1108.521526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.521526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.521526 (E_RNA) where: Base-Base interactions energy: -692.340 where: short stacking energy: -323.005 Base-Backbone interact. energy: -2.563 local terms energy: -413.618408 where: bonds (distance) C4'-P energy: -108.745 bonds (distance) P-C4' energy: -88.646 flat angles C4'-P-C4' energy: -96.989 flat angles P-C4'-P energy: -71.634 tors. eta vs tors. theta energy: -47.604 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: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -791.587322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.587322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.587322 (E_RNA) where: Base-Base interactions energy: -394.248 where: short stacking energy: -212.876 Base-Backbone interact. energy: -1.706 local terms energy: -395.632995 where: bonds (distance) C4'-P energy: -101.229 bonds (distance) P-C4' energy: -117.475 flat angles C4'-P-C4' energy: -95.289 flat angles P-C4'-P energy: -86.511 tors. eta vs tors. theta energy: 4.871 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: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -522.272924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.272924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.272924 (E_RNA) where: Base-Base interactions energy: -191.354 where: short stacking energy: -158.530 Base-Backbone interact. energy: -1.642 local terms energy: -329.276843 where: bonds (distance) C4'-P energy: -89.665 bonds (distance) P-C4' energy: -105.075 flat angles C4'-P-C4' energy: -106.292 flat angles P-C4'-P energy: -39.296 tors. eta vs tors. theta energy: 11.051 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: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -462.525819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.525819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.525819 (E_RNA) where: Base-Base interactions energy: -174.066 where: short stacking energy: -135.012 Base-Backbone interact. energy: 2.885 local terms energy: -291.344464 where: bonds (distance) C4'-P energy: -98.061 bonds (distance) P-C4' energy: -104.982 flat angles C4'-P-C4' energy: -89.433 flat angles P-C4'-P energy: -38.255 tors. eta vs tors. theta energy: 39.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2066.945403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.945403 (E_RNA) where: Base-Base interactions energy: -1408.422 where: short stacking energy: -598.715 Base-Backbone interact. energy: -4.728 local terms energy: -653.795471 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -118.058 flat angles C4'-P-C4' energy: -142.801 flat angles P-C4'-P energy: -104.139 tors. eta vs tors. theta energy: -157.856 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: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2000.862490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.862490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.862490 (E_RNA) where: Base-Base interactions energy: -1359.742 where: short stacking energy: -572.517 Base-Backbone interact. energy: -3.439 local terms energy: -637.681662 where: bonds (distance) C4'-P energy: -115.086 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -141.421 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -166.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1936.732670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.732670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.732670 (E_RNA) where: Base-Base interactions energy: -1308.405 where: short stacking energy: -573.381 Base-Backbone interact. energy: -2.273 local terms energy: -626.054160 where: bonds (distance) C4'-P energy: -112.370 bonds (distance) P-C4' energy: -120.228 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -175.932 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: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1790.541174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.541174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.541174 (E_RNA) where: Base-Base interactions energy: -1196.645 where: short stacking energy: -544.689 Base-Backbone interact. energy: -1.805 local terms energy: -592.091087 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -128.605 flat angles C4'-P-C4' energy: -114.889 flat angles P-C4'-P energy: -100.228 tors. eta vs tors. theta energy: -134.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1555.732970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.732970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.732970 (E_RNA) where: Base-Base interactions energy: -1013.830 where: short stacking energy: -442.825 Base-Backbone interact. energy: 2.659 local terms energy: -544.561620 where: bonds (distance) C4'-P energy: -112.498 bonds (distance) P-C4' energy: -114.861 flat angles C4'-P-C4' energy: -122.811 flat angles P-C4'-P energy: -85.995 tors. eta vs tors. theta energy: -108.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1409.762252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.762252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.762252 (E_RNA) where: Base-Base interactions energy: -882.559 where: short stacking energy: -404.757 Base-Backbone interact. energy: -0.300 local terms energy: -526.903594 where: bonds (distance) C4'-P energy: -116.659 bonds (distance) P-C4' energy: -135.164 flat angles C4'-P-C4' energy: -117.395 flat angles P-C4'-P energy: -62.973 tors. eta vs tors. theta energy: -94.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1179.080351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.080351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.080351 (E_RNA) where: Base-Base interactions energy: -703.306 where: short stacking energy: -333.121 Base-Backbone interact. energy: 0.988 local terms energy: -476.762062 where: bonds (distance) C4'-P energy: -99.964 bonds (distance) P-C4' energy: -102.680 flat angles C4'-P-C4' energy: -122.534 flat angles P-C4'-P energy: -85.063 tors. eta vs tors. theta energy: -66.522 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: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -824.926969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.926969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.926969 (E_RNA) where: Base-Base interactions energy: -425.096 where: short stacking energy: -243.392 Base-Backbone interact. energy: 0.167 local terms energy: -399.998030 where: bonds (distance) C4'-P energy: -93.806 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -95.998 flat angles P-C4'-P energy: -67.130 tors. eta vs tors. theta energy: -29.223 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: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -579.979051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.979051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.979051 (E_RNA) where: Base-Base interactions energy: -228.902 where: short stacking energy: -167.070 Base-Backbone interact. energy: -2.389 local terms energy: -348.688207 where: bonds (distance) C4'-P energy: -101.061 bonds (distance) P-C4' energy: -100.585 flat angles C4'-P-C4' energy: -94.770 flat angles P-C4'-P energy: -51.556 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -484.749532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.749532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.749532 (E_RNA) where: Base-Base interactions energy: -154.667 where: short stacking energy: -142.536 Base-Backbone interact. energy: 4.021 local terms energy: -334.103177 where: bonds (distance) C4'-P energy: -95.773 bonds (distance) P-C4' energy: -110.563 flat angles C4'-P-C4' energy: -80.472 flat angles P-C4'-P energy: -58.084 tors. eta vs tors. theta energy: 10.789 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: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2079.706322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.706322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.706322 (E_RNA) where: Base-Base interactions energy: -1425.794 where: short stacking energy: -588.739 Base-Backbone interact. energy: -4.038 local terms energy: -649.874519 where: bonds (distance) C4'-P energy: -117.019 bonds (distance) P-C4' energy: -138.107 flat angles C4'-P-C4' energy: -141.892 flat angles P-C4'-P energy: -99.330 tors. eta vs tors. theta energy: -153.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1994.847040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.847040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.847040 (E_RNA) where: Base-Base interactions energy: -1363.184 where: short stacking energy: -592.600 Base-Backbone interact. energy: -1.170 local terms energy: -630.493142 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -129.298 flat angles C4'-P-C4' energy: -128.900 flat angles P-C4'-P energy: -88.727 tors. eta vs tors. theta energy: -163.469 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: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1898.424535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.424535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.424535 (E_RNA) where: Base-Base interactions energy: -1260.226 where: short stacking energy: -572.863 Base-Backbone interact. energy: 1.207 local terms energy: -639.404923 where: bonds (distance) C4'-P energy: -125.660 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -92.193 tors. eta vs tors. theta energy: -157.938 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: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1764.048607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.048607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.048607 (E_RNA) where: Base-Base interactions energy: -1180.737 where: short stacking energy: -517.729 Base-Backbone interact. energy: -4.463 local terms energy: -578.848912 where: bonds (distance) C4'-P energy: -115.845 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -125.278 flat angles P-C4'-P energy: -87.004 tors. eta vs tors. theta energy: -127.683 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: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1516.221091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.221091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.221091 (E_RNA) where: Base-Base interactions energy: -958.549 where: short stacking energy: -431.474 Base-Backbone interact. energy: -2.689 local terms energy: -554.983198 where: bonds (distance) C4'-P energy: -112.232 bonds (distance) P-C4' energy: -113.193 flat angles C4'-P-C4' energy: -127.192 flat angles P-C4'-P energy: -86.365 tors. eta vs tors. theta energy: -116.002 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: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1485.951411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.951411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.951411 (E_RNA) where: Base-Base interactions energy: -961.619 where: short stacking energy: -431.571 Base-Backbone interact. energy: -3.751 local terms energy: -520.581660 where: bonds (distance) C4'-P energy: -99.776 bonds (distance) P-C4' energy: -104.495 flat angles C4'-P-C4' energy: -129.331 flat angles P-C4'-P energy: -80.260 tors. eta vs tors. theta energy: -106.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1204.250051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.250051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.250051 (E_RNA) where: Base-Base interactions energy: -751.584 where: short stacking energy: -346.062 Base-Backbone interact. energy: -4.011 local terms energy: -448.655747 where: bonds (distance) C4'-P energy: -92.414 bonds (distance) P-C4' energy: -103.313 flat angles C4'-P-C4' energy: -115.905 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -73.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -817.938105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.938105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.938105 (E_RNA) where: Base-Base interactions energy: -431.671 where: short stacking energy: -224.579 Base-Backbone interact. energy: -3.981 local terms energy: -382.286143 where: bonds (distance) C4'-P energy: -104.080 bonds (distance) P-C4' energy: -115.562 flat angles C4'-P-C4' energy: -106.820 flat angles P-C4'-P energy: -64.692 tors. eta vs tors. theta energy: 8.867 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: 9, replica: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -584.439985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.439985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.439985 (E_RNA) where: Base-Base interactions energy: -272.472 where: short stacking energy: -172.193 Base-Backbone interact. energy: -0.584 local terms energy: -311.383892 where: bonds (distance) C4'-P energy: -96.761 bonds (distance) P-C4' energy: -108.719 flat angles C4'-P-C4' energy: -88.554 flat angles P-C4'-P energy: -40.773 tors. eta vs tors. theta energy: 23.423 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: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -532.264189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.264189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.264189 (E_RNA) where: Base-Base interactions energy: -193.792 where: short stacking energy: -151.098 Base-Backbone interact. energy: -3.610 local terms energy: -334.862206 where: bonds (distance) C4'-P energy: -98.727 bonds (distance) P-C4' energy: -104.093 flat angles C4'-P-C4' energy: -97.683 flat angles P-C4'-P energy: -49.776 tors. eta vs tors. theta energy: 15.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2128.378464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.378464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.378464 (E_RNA) where: Base-Base interactions energy: -1512.190 where: short stacking energy: -619.304 Base-Backbone interact. energy: -8.035 local terms energy: -608.153771 where: bonds (distance) C4'-P energy: -113.708 bonds (distance) P-C4' energy: -112.565 flat angles C4'-P-C4' energy: -134.198 flat angles P-C4'-P energy: -79.000 tors. eta vs tors. theta energy: -168.683 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: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2005.987036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.987036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.987036 (E_RNA) where: Base-Base interactions energy: -1370.124 where: short stacking energy: -562.165 Base-Backbone interact. energy: -4.700 local terms energy: -631.163043 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -122.253 flat angles C4'-P-C4' energy: -142.222 flat angles P-C4'-P energy: -87.703 tors. eta vs tors. theta energy: -154.867 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: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1893.649163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.649163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.649163 (E_RNA) where: Base-Base interactions energy: -1311.210 where: short stacking energy: -548.066 Base-Backbone interact. energy: -4.812 local terms energy: -577.627344 where: bonds (distance) C4'-P energy: -114.138 bonds (distance) P-C4' energy: -109.006 flat angles C4'-P-C4' energy: -116.343 flat angles P-C4'-P energy: -91.010 tors. eta vs tors. theta energy: -147.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1755.989512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.989512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.989512 (E_RNA) where: Base-Base interactions energy: -1153.871 where: short stacking energy: -509.232 Base-Backbone interact. energy: 0.377 local terms energy: -602.494994 where: bonds (distance) C4'-P energy: -129.091 bonds (distance) P-C4' energy: -111.642 flat angles C4'-P-C4' energy: -133.763 flat angles P-C4'-P energy: -85.211 tors. eta vs tors. theta energy: -142.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1512.225495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.225495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.225495 (E_RNA) where: Base-Base interactions energy: -997.263 where: short stacking energy: -426.103 Base-Backbone interact. energy: -3.350 local terms energy: -511.612616 where: bonds (distance) C4'-P energy: -100.188 bonds (distance) P-C4' energy: -107.518 flat angles C4'-P-C4' energy: -116.505 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -100.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1378.171410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.171410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.171410 (E_RNA) where: Base-Base interactions energy: -870.657 where: short stacking energy: -387.934 Base-Backbone interact. energy: -2.546 local terms energy: -504.968314 where: bonds (distance) C4'-P energy: -100.738 bonds (distance) P-C4' energy: -115.883 flat angles C4'-P-C4' energy: -125.013 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: -89.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1265.683991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.683991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.683991 (E_RNA) where: Base-Base interactions energy: -767.947 where: short stacking energy: -376.751 Base-Backbone interact. energy: -3.096 local terms energy: -494.640605 where: bonds (distance) C4'-P energy: -115.306 bonds (distance) P-C4' energy: -107.551 flat angles C4'-P-C4' energy: -118.150 flat angles P-C4'-P energy: -74.033 tors. eta vs tors. theta energy: -79.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -828.322099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.322099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.322099 (E_RNA) where: Base-Base interactions energy: -428.002 where: short stacking energy: -239.334 Base-Backbone interact. energy: 3.073 local terms energy: -403.393527 where: bonds (distance) C4'-P energy: -107.117 bonds (distance) P-C4' energy: -123.251 flat angles C4'-P-C4' energy: -103.223 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -685.445950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.445950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.445950 (E_RNA) where: Base-Base interactions energy: -323.407 where: short stacking energy: -199.283 Base-Backbone interact. energy: -1.401 local terms energy: -360.637539 where: bonds (distance) C4'-P energy: -111.851 bonds (distance) P-C4' energy: -108.390 flat angles C4'-P-C4' energy: -91.143 flat angles P-C4'-P energy: -43.485 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -507.072006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.072006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.072006 (E_RNA) where: Base-Base interactions energy: -210.234 where: short stacking energy: -177.373 Base-Backbone interact. energy: 3.020 local terms energy: -299.858187 where: bonds (distance) C4'-P energy: -108.971 bonds (distance) P-C4' energy: -109.338 flat angles C4'-P-C4' energy: -45.609 flat angles P-C4'-P energy: -58.044 tors. eta vs tors. theta energy: 22.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2123.768448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.768448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.768448 (E_RNA) where: Base-Base interactions energy: -1478.070 where: short stacking energy: -602.229 Base-Backbone interact. energy: -2.229 local terms energy: -643.470134 where: bonds (distance) C4'-P energy: -123.132 bonds (distance) P-C4' energy: -128.091 flat angles C4'-P-C4' energy: -131.868 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -162.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1982.036461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.036461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.036461 (E_RNA) where: Base-Base interactions energy: -1328.996 where: short stacking energy: -563.485 Base-Backbone interact. energy: -3.204 local terms energy: -649.836911 where: bonds (distance) C4'-P energy: -121.574 bonds (distance) P-C4' energy: -135.791 flat angles C4'-P-C4' energy: -141.566 flat angles P-C4'-P energy: -87.712 tors. eta vs tors. theta energy: -163.194 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: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1927.931928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.931928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.931928 (E_RNA) where: Base-Base interactions energy: -1292.859 where: short stacking energy: -562.999 Base-Backbone interact. energy: -3.630 local terms energy: -631.443318 where: bonds (distance) C4'-P energy: -120.606 bonds (distance) P-C4' energy: -128.732 flat angles C4'-P-C4' energy: -139.106 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -156.871 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: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1735.477441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.477441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.477441 (E_RNA) where: Base-Base interactions energy: -1199.427 where: short stacking energy: -529.223 Base-Backbone interact. energy: -0.425 local terms energy: -535.625567 where: bonds (distance) C4'-P energy: -107.680 bonds (distance) P-C4' energy: -113.217 flat angles C4'-P-C4' energy: -119.492 flat angles P-C4'-P energy: -64.749 tors. eta vs tors. theta energy: -130.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1584.304828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.304828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.304828 (E_RNA) where: Base-Base interactions energy: -1039.714 where: short stacking energy: -460.796 Base-Backbone interact. energy: -2.443 local terms energy: -542.147649 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -115.513 flat angles C4'-P-C4' energy: -117.305 flat angles P-C4'-P energy: -79.379 tors. eta vs tors. theta energy: -117.889 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: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1428.592034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.592034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.592034 (E_RNA) where: Base-Base interactions energy: -921.116 where: short stacking energy: -448.087 Base-Backbone interact. energy: -2.030 local terms energy: -505.446131 where: bonds (distance) C4'-P energy: -110.319 bonds (distance) P-C4' energy: -119.124 flat angles C4'-P-C4' energy: -103.220 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -97.620 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: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1253.806378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.806378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.806378 (E_RNA) where: Base-Base interactions energy: -784.510 where: short stacking energy: -370.394 Base-Backbone interact. energy: 1.939 local terms energy: -471.236034 where: bonds (distance) C4'-P energy: -95.095 bonds (distance) P-C4' energy: -118.030 flat angles C4'-P-C4' energy: -111.598 flat angles P-C4'-P energy: -67.444 tors. eta vs tors. theta energy: -79.069 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: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -834.113048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.113048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.113048 (E_RNA) where: Base-Base interactions energy: -450.351 where: short stacking energy: -217.097 Base-Backbone interact. energy: -1.365 local terms energy: -382.396653 where: bonds (distance) C4'-P energy: -106.797 bonds (distance) P-C4' energy: -98.210 flat angles C4'-P-C4' energy: -116.018 flat angles P-C4'-P energy: -75.354 tors. eta vs tors. theta energy: 13.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -688.468254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.468254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.468254 (E_RNA) where: Base-Base interactions energy: -325.785 where: short stacking energy: -209.831 Base-Backbone interact. energy: 0.925 local terms energy: -363.607706 where: bonds (distance) C4'-P energy: -102.140 bonds (distance) P-C4' energy: -118.263 flat angles C4'-P-C4' energy: -91.033 flat angles P-C4'-P energy: -56.486 tors. eta vs tors. theta energy: 4.314 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: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -547.229106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.229106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.229106 (E_RNA) where: Base-Base interactions energy: -231.992 where: short stacking energy: -158.434 Base-Backbone interact. energy: 0.965 local terms energy: -316.202294 where: bonds (distance) C4'-P energy: -93.035 bonds (distance) P-C4' energy: -98.771 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: 15.640 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: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2109.416804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.416804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.416804 (E_RNA) where: Base-Base interactions energy: -1466.643 where: short stacking energy: -588.588 Base-Backbone interact. energy: -5.199 local terms energy: -637.574721 where: bonds (distance) C4'-P energy: -128.229 bonds (distance) P-C4' energy: -134.351 flat angles C4'-P-C4' energy: -131.589 flat angles P-C4'-P energy: -85.543 tors. eta vs tors. theta energy: -157.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2061.068792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.068792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.068792 (E_RNA) where: Base-Base interactions energy: -1407.847 where: short stacking energy: -586.866 Base-Backbone interact. energy: -3.550 local terms energy: -649.672005 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -142.127 flat angles C4'-P-C4' energy: -129.685 flat angles P-C4'-P energy: -88.857 tors. eta vs tors. theta energy: -165.506 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: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1892.547537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.547537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.547537 (E_RNA) where: Base-Base interactions energy: -1274.614 where: short stacking energy: -557.346 Base-Backbone interact. energy: -0.450 local terms energy: -617.483873 where: bonds (distance) C4'-P energy: -113.868 bonds (distance) P-C4' energy: -129.718 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -87.983 tors. eta vs tors. theta energy: -155.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1790.067924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.067924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.067924 (E_RNA) where: Base-Base interactions energy: -1217.107 where: short stacking energy: -535.386 Base-Backbone interact. energy: 3.208 local terms energy: -576.168882 where: bonds (distance) C4'-P energy: -117.652 bonds (distance) P-C4' energy: -105.717 flat angles C4'-P-C4' energy: -120.007 flat angles P-C4'-P energy: -86.233 tors. eta vs tors. theta energy: -146.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1578.301147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.301147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.301147 (E_RNA) where: Base-Base interactions energy: -1048.714 where: short stacking energy: -450.146 Base-Backbone interact. energy: 2.233 local terms energy: -531.820225 where: bonds (distance) C4'-P energy: -103.890 bonds (distance) P-C4' energy: -95.195 flat angles C4'-P-C4' energy: -130.772 flat angles P-C4'-P energy: -88.141 tors. eta vs tors. theta energy: -113.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1397.654983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.654983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.654983 (E_RNA) where: Base-Base interactions energy: -885.216 where: short stacking energy: -418.205 Base-Backbone interact. energy: 0.468 local terms energy: -512.906893 where: bonds (distance) C4'-P energy: -105.228 bonds (distance) P-C4' energy: -110.254 flat angles C4'-P-C4' energy: -120.359 flat angles P-C4'-P energy: -78.140 tors. eta vs tors. theta energy: -98.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1189.649752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.649752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.649752 (E_RNA) where: Base-Base interactions energy: -724.524 where: short stacking energy: -329.912 Base-Backbone interact. energy: -2.102 local terms energy: -463.023679 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -106.983 flat angles C4'-P-C4' energy: -109.316 flat angles P-C4'-P energy: -83.984 tors. eta vs tors. theta energy: -62.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -857.178887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.178887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.178887 (E_RNA) where: Base-Base interactions energy: -448.364 where: short stacking energy: -251.306 Base-Backbone interact. energy: -2.109 local terms energy: -406.705922 where: bonds (distance) C4'-P energy: -101.291 bonds (distance) P-C4' energy: -123.663 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -55.923 tors. eta vs tors. theta energy: -29.378 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: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -687.088768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.088768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.088768 (E_RNA) where: Base-Base interactions energy: -340.739 where: short stacking energy: -199.524 Base-Backbone interact. energy: 2.436 local terms energy: -348.785152 where: bonds (distance) C4'-P energy: -103.494 bonds (distance) P-C4' energy: -105.789 flat angles C4'-P-C4' energy: -96.319 flat angles P-C4'-P energy: -38.478 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -503.376955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.376955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.376955 (E_RNA) where: Base-Base interactions energy: -150.830 where: short stacking energy: -130.450 Base-Backbone interact. energy: 1.860 local terms energy: -354.407068 where: bonds (distance) C4'-P energy: -102.498 bonds (distance) P-C4' energy: -109.201 flat angles C4'-P-C4' energy: -101.411 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: 28.632 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: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2094.577543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.577543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.577543 (E_RNA) where: Base-Base interactions energy: -1461.754 where: short stacking energy: -579.986 Base-Backbone interact. energy: -6.101 local terms energy: -626.722735 where: bonds (distance) C4'-P energy: -129.438 bonds (distance) P-C4' energy: -111.971 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -92.123 tors. eta vs tors. theta energy: -156.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2019.853479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.853479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.853479 (E_RNA) where: Base-Base interactions energy: -1386.622 where: short stacking energy: -591.062 Base-Backbone interact. energy: -2.446 local terms energy: -630.785082 where: bonds (distance) C4'-P energy: -108.853 bonds (distance) P-C4' energy: -127.466 flat angles C4'-P-C4' energy: -130.080 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -169.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1932.395699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.395699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.395699 (E_RNA) where: Base-Base interactions energy: -1310.728 where: short stacking energy: -544.001 Base-Backbone interact. energy: -3.524 local terms energy: -618.143441 where: bonds (distance) C4'-P energy: -111.108 bonds (distance) P-C4' energy: -130.361 flat angles C4'-P-C4' energy: -134.688 flat angles P-C4'-P energy: -86.284 tors. eta vs tors. theta energy: -155.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1685.429035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.429035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.429035 (E_RNA) where: Base-Base interactions energy: -1154.304 where: short stacking energy: -506.231 Base-Backbone interact. energy: -0.547 local terms energy: -530.578949 where: bonds (distance) C4'-P energy: -110.441 bonds (distance) P-C4' energy: -109.827 flat angles C4'-P-C4' energy: -124.674 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -115.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1562.829500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.829500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.829500 (E_RNA) where: Base-Base interactions energy: -1033.886 where: short stacking energy: -448.771 Base-Backbone interact. energy: 0.494 local terms energy: -529.437615 where: bonds (distance) C4'-P energy: -127.385 bonds (distance) P-C4' energy: -118.227 flat angles C4'-P-C4' energy: -112.968 flat angles P-C4'-P energy: -69.496 tors. eta vs tors. theta energy: -101.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1346.410329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.410329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.410329 (E_RNA) where: Base-Base interactions energy: -842.065 where: short stacking energy: -391.985 Base-Backbone interact. energy: -2.744 local terms energy: -501.600835 where: bonds (distance) C4'-P energy: -92.232 bonds (distance) P-C4' energy: -126.554 flat angles C4'-P-C4' energy: -114.019 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -97.337 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: 2 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1188.479234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.479234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.479234 (E_RNA) where: Base-Base interactions energy: -711.137 where: short stacking energy: -349.904 Base-Backbone interact. energy: -0.729 local terms energy: -476.613429 where: bonds (distance) C4'-P energy: -118.351 bonds (distance) P-C4' energy: -105.207 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -72.728 tors. eta vs tors. theta energy: -74.620 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: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -852.910445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.910445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.910445 (E_RNA) where: Base-Base interactions energy: -463.214 where: short stacking energy: -241.188 Base-Backbone interact. energy: -4.855 local terms energy: -384.841657 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -125.614 flat angles C4'-P-C4' energy: -95.135 flat angles P-C4'-P energy: -64.066 tors. eta vs tors. theta energy: -10.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -668.050224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.050224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.050224 (E_RNA) where: Base-Base interactions energy: -292.578 where: short stacking energy: -182.338 Base-Backbone interact. energy: -0.981 local terms energy: -374.491015 where: bonds (distance) C4'-P energy: -108.206 bonds (distance) P-C4' energy: -109.596 flat angles C4'-P-C4' energy: -91.013 flat angles P-C4'-P energy: -70.052 tors. eta vs tors. theta energy: 4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -506.176076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.176076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.176076 (E_RNA) where: Base-Base interactions energy: -179.574 where: short stacking energy: -147.314 Base-Backbone interact. energy: -1.154 local terms energy: -325.447867 where: bonds (distance) C4'-P energy: -83.335 bonds (distance) P-C4' energy: -113.003 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -40.626 tors. eta vs tors. theta energy: 19.369 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: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2092.659630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.659630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.659630 (E_RNA) where: Base-Base interactions energy: -1449.349 where: short stacking energy: -594.288 Base-Backbone interact. energy: -3.652 local terms energy: -639.657806 where: bonds (distance) C4'-P energy: -123.920 bonds (distance) P-C4' energy: -120.787 flat angles C4'-P-C4' energy: -144.242 flat angles P-C4'-P energy: -100.159 tors. eta vs tors. theta energy: -150.551 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2006.232239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.232239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.232239 (E_RNA) where: Base-Base interactions energy: -1374.491 where: short stacking energy: -589.690 Base-Backbone interact. energy: 0.271 local terms energy: -632.012274 where: bonds (distance) C4'-P energy: -119.075 bonds (distance) P-C4' energy: -118.195 flat angles C4'-P-C4' energy: -128.751 flat angles P-C4'-P energy: -104.216 tors. eta vs tors. theta energy: -161.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1905.433990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.433990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.433990 (E_RNA) where: Base-Base interactions energy: -1311.525 where: short stacking energy: -540.004 Base-Backbone interact. energy: 3.783 local terms energy: -597.691193 where: bonds (distance) C4'-P energy: -115.317 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -86.184 tors. eta vs tors. theta energy: -148.947 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: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1693.190056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.190056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.190056 (E_RNA) where: Base-Base interactions energy: -1132.862 where: short stacking energy: -506.986 Base-Backbone interact. energy: -1.333 local terms energy: -558.995332 where: bonds (distance) C4'-P energy: -116.151 bonds (distance) P-C4' energy: -105.290 flat angles C4'-P-C4' energy: -123.405 flat angles P-C4'-P energy: -89.365 tors. eta vs tors. theta energy: -124.784 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: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1581.144284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.144284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.144284 (E_RNA) where: Base-Base interactions energy: -1028.807 where: short stacking energy: -440.517 Base-Backbone interact. energy: -2.768 local terms energy: -549.569519 where: bonds (distance) C4'-P energy: -106.977 bonds (distance) P-C4' energy: -118.662 flat angles C4'-P-C4' energy: -125.726 flat angles P-C4'-P energy: -89.823 tors. eta vs tors. theta energy: -108.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1370.328561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.328561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.328561 (E_RNA) where: Base-Base interactions energy: -880.001 where: short stacking energy: -389.229 Base-Backbone interact. energy: -3.862 local terms energy: -486.466394 where: bonds (distance) C4'-P energy: -108.557 bonds (distance) P-C4' energy: -108.231 flat angles C4'-P-C4' energy: -109.467 flat angles P-C4'-P energy: -81.994 tors. eta vs tors. theta energy: -78.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1216.712605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.712605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.712605 (E_RNA) where: Base-Base interactions energy: -768.280 where: short stacking energy: -377.604 Base-Backbone interact. energy: 1.171 local terms energy: -449.603996 where: bonds (distance) C4'-P energy: -101.127 bonds (distance) P-C4' energy: -98.930 flat angles C4'-P-C4' energy: -98.855 flat angles P-C4'-P energy: -79.908 tors. eta vs tors. theta energy: -70.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -856.306907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.306907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.306907 (E_RNA) where: Base-Base interactions energy: -510.336 where: short stacking energy: -274.304 Base-Backbone interact. energy: 2.823 local terms energy: -348.793962 where: bonds (distance) C4'-P energy: -86.626 bonds (distance) P-C4' energy: -97.335 flat angles C4'-P-C4' energy: -90.182 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -14.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -721.824464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.824464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.824464 (E_RNA) where: Base-Base interactions energy: -324.628 where: short stacking energy: -201.297 Base-Backbone interact. energy: -3.258 local terms energy: -393.938326 where: bonds (distance) C4'-P energy: -110.167 bonds (distance) P-C4' energy: -124.767 flat angles C4'-P-C4' energy: -96.089 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -11.629 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: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -508.671859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.671859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.671859 (E_RNA) where: Base-Base interactions energy: -184.938 where: short stacking energy: -145.486 Base-Backbone interact. energy: 7.683 local terms energy: -331.417060 where: bonds (distance) C4'-P energy: -110.736 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -74.442 flat angles P-C4'-P energy: -55.298 tors. eta vs tors. theta energy: 21.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2114.160810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.160810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.160810 (E_RNA) where: Base-Base interactions energy: -1478.843 where: short stacking energy: -598.868 Base-Backbone interact. energy: -5.842 local terms energy: -629.475853 where: bonds (distance) C4'-P energy: -124.698 bonds (distance) P-C4' energy: -125.603 flat angles C4'-P-C4' energy: -133.211 flat angles P-C4'-P energy: -83.926 tors. eta vs tors. theta energy: -162.039 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: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2027.613596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.613596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.613596 (E_RNA) where: Base-Base interactions energy: -1399.895 where: short stacking energy: -625.432 Base-Backbone interact. energy: -2.712 local terms energy: -625.006653 where: bonds (distance) C4'-P energy: -106.808 bonds (distance) P-C4' energy: -123.807 flat angles C4'-P-C4' energy: -130.298 flat angles P-C4'-P energy: -96.220 tors. eta vs tors. theta energy: -167.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1892.003126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.003126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.003126 (E_RNA) where: Base-Base interactions energy: -1301.945 where: short stacking energy: -556.648 Base-Backbone interact. energy: -2.822 local terms energy: -587.236114 where: bonds (distance) C4'-P energy: -90.117 bonds (distance) P-C4' energy: -134.440 flat angles C4'-P-C4' energy: -135.167 flat angles P-C4'-P energy: -80.153 tors. eta vs tors. theta energy: -147.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1763.242970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.242970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.242970 (E_RNA) where: Base-Base interactions energy: -1205.301 where: short stacking energy: -516.296 Base-Backbone interact. energy: -0.992 local terms energy: -556.950391 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -107.188 flat angles C4'-P-C4' energy: -121.050 flat angles P-C4'-P energy: -67.839 tors. eta vs tors. theta energy: -139.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1646.736267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.736267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.736267 (E_RNA) where: Base-Base interactions energy: -1111.592 where: short stacking energy: -497.504 Base-Backbone interact. energy: -0.687 local terms energy: -534.457258 where: bonds (distance) C4'-P energy: -113.227 bonds (distance) P-C4' energy: -104.951 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -65.353 tors. eta vs tors. theta energy: -129.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1427.830134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.830134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.830134 (E_RNA) where: Base-Base interactions energy: -937.321 where: short stacking energy: -428.504 Base-Backbone interact. energy: -4.186 local terms energy: -486.323616 where: bonds (distance) C4'-P energy: -100.393 bonds (distance) P-C4' energy: -113.236 flat angles C4'-P-C4' energy: -112.147 flat angles P-C4'-P energy: -79.103 tors. eta vs tors. theta energy: -81.444 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: 119 Temperature: 1.200000 Total energy: -1272.520063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.520063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.520063 (E_RNA) where: Base-Base interactions energy: -798.470 where: short stacking energy: -359.746 Base-Backbone interact. energy: -4.353 local terms energy: -469.697000 where: bonds (distance) C4'-P energy: -111.412 bonds (distance) P-C4' energy: -113.091 flat angles C4'-P-C4' energy: -118.442 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -73.863 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: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -856.572105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.572105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.572105 (E_RNA) where: Base-Base interactions energy: -465.892 where: short stacking energy: -236.341 Base-Backbone interact. energy: 2.289 local terms energy: -392.968876 where: bonds (distance) C4'-P energy: -101.081 bonds (distance) P-C4' energy: -122.417 flat angles C4'-P-C4' energy: -99.421 flat angles P-C4'-P energy: -50.962 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: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -774.377498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.377498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.377498 (E_RNA) where: Base-Base interactions energy: -425.041 where: short stacking energy: -236.641 Base-Backbone interact. energy: -0.784 local terms energy: -348.552466 where: bonds (distance) C4'-P energy: -100.081 bonds (distance) P-C4' energy: -81.976 flat angles C4'-P-C4' energy: -89.979 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -501.746921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.746921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.746921 (E_RNA) where: Base-Base interactions energy: -158.348 where: short stacking energy: -127.082 Base-Backbone interact. energy: 2.115 local terms energy: -345.514271 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -106.985 flat angles C4'-P-C4' energy: -105.963 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: 5.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2124.293565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.293565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.293565 (E_RNA) where: Base-Base interactions energy: -1473.006 where: short stacking energy: -608.195 Base-Backbone interact. energy: -6.541 local terms energy: -644.746140 where: bonds (distance) C4'-P energy: -124.542 bonds (distance) P-C4' energy: -123.185 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -157.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1985.456375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.456375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.456375 (E_RNA) where: Base-Base interactions energy: -1334.883 where: short stacking energy: -587.263 Base-Backbone interact. energy: -3.806 local terms energy: -646.767114 where: bonds (distance) C4'-P energy: -116.497 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -137.696 flat angles P-C4'-P energy: -89.053 tors. eta vs tors. theta energy: -171.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1917.324440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.324440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.324440 (E_RNA) where: Base-Base interactions energy: -1316.616 where: short stacking energy: -565.492 Base-Backbone interact. energy: -4.538 local terms energy: -596.170495 where: bonds (distance) C4'-P energy: -116.182 bonds (distance) P-C4' energy: -109.249 flat angles C4'-P-C4' energy: -133.068 flat angles P-C4'-P energy: -82.795 tors. eta vs tors. theta energy: -154.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1753.317042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.317042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.317042 (E_RNA) where: Base-Base interactions energy: -1182.595 where: short stacking energy: -499.400 Base-Backbone interact. energy: -3.141 local terms energy: -567.581216 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -124.639 flat angles C4'-P-C4' energy: -146.516 flat angles P-C4'-P energy: -74.596 tors. eta vs tors. theta energy: -118.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1655.213122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.213122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.213122 (E_RNA) where: Base-Base interactions energy: -1083.373 where: short stacking energy: -503.484 Base-Backbone interact. energy: -0.813 local terms energy: -571.027873 where: bonds (distance) C4'-P energy: -111.082 bonds (distance) P-C4' energy: -99.612 flat angles C4'-P-C4' energy: -135.125 flat angles P-C4'-P energy: -79.712 tors. eta vs tors. theta energy: -145.496 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: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1351.628360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.628360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.628360 (E_RNA) where: Base-Base interactions energy: -857.118 where: short stacking energy: -409.769 Base-Backbone interact. energy: -2.957 local terms energy: -491.553206 where: bonds (distance) C4'-P energy: -97.955 bonds (distance) P-C4' energy: -96.413 flat angles C4'-P-C4' energy: -129.534 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -85.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1286.356541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.356541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.356541 (E_RNA) where: Base-Base interactions energy: -816.506 where: short stacking energy: -379.449 Base-Backbone interact. energy: -3.628 local terms energy: -466.221947 where: bonds (distance) C4'-P energy: -111.827 bonds (distance) P-C4' energy: -100.260 flat angles C4'-P-C4' energy: -118.457 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -70.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -828.308485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.308485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.308485 (E_RNA) where: Base-Base interactions energy: -457.762 where: short stacking energy: -241.458 Base-Backbone interact. energy: 1.570 local terms energy: -372.116420 where: bonds (distance) C4'-P energy: -103.219 bonds (distance) P-C4' energy: -109.917 flat angles C4'-P-C4' energy: -92.266 flat angles P-C4'-P energy: -57.344 tors. eta vs tors. theta energy: -9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -720.687496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.687496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.687496 (E_RNA) where: Base-Base interactions energy: -355.285 where: short stacking energy: -185.382 Base-Backbone interact. energy: 1.089 local terms energy: -366.491732 where: bonds (distance) C4'-P energy: -102.338 bonds (distance) P-C4' energy: -114.316 flat angles C4'-P-C4' energy: -98.128 flat angles P-C4'-P energy: -60.001 tors. eta vs tors. theta energy: 8.291 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: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -493.752541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.752541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.752541 (E_RNA) where: Base-Base interactions energy: -152.628 where: short stacking energy: -134.897 Base-Backbone interact. energy: 1.646 local terms energy: -342.770009 where: bonds (distance) C4'-P energy: -113.229 bonds (distance) P-C4' energy: -117.088 flat angles C4'-P-C4' energy: -94.803 flat angles P-C4'-P energy: -34.527 tors. eta vs tors. theta energy: 16.877 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: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2106.199161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.199161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.199161 (E_RNA) where: Base-Base interactions energy: -1476.253 where: short stacking energy: -608.360 Base-Backbone interact. energy: -1.385 local terms energy: -628.560693 where: bonds (distance) C4'-P energy: -133.022 bonds (distance) P-C4' energy: -127.058 flat angles C4'-P-C4' energy: -123.236 flat angles P-C4'-P energy: -89.218 tors. eta vs tors. theta energy: -156.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2012.334561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.334561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.334561 (E_RNA) where: Base-Base interactions energy: -1376.122 where: short stacking energy: -582.741 Base-Backbone interact. energy: -5.457 local terms energy: -630.755012 where: bonds (distance) C4'-P energy: -118.206 bonds (distance) P-C4' energy: -116.725 flat angles C4'-P-C4' energy: -131.471 flat angles P-C4'-P energy: -90.237 tors. eta vs tors. theta energy: -174.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1944.977470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.977470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.977470 (E_RNA) where: Base-Base interactions energy: -1330.173 where: short stacking energy: -600.154 Base-Backbone interact. energy: -3.641 local terms energy: -611.163154 where: bonds (distance) C4'-P energy: -108.527 bonds (distance) P-C4' energy: -111.062 flat angles C4'-P-C4' energy: -138.856 flat angles P-C4'-P energy: -74.338 tors. eta vs tors. theta energy: -178.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1748.605380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.605380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.605380 (E_RNA) where: Base-Base interactions energy: -1189.016 where: short stacking energy: -526.893 Base-Backbone interact. energy: 3.321 local terms energy: -562.910441 where: bonds (distance) C4'-P energy: -123.213 bonds (distance) P-C4' energy: -115.587 flat angles C4'-P-C4' energy: -132.986 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -125.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1627.877792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.877792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.877792 (E_RNA) where: Base-Base interactions energy: -1072.807 where: short stacking energy: -452.366 Base-Backbone interact. energy: -2.133 local terms energy: -552.937713 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -78.673 tors. eta vs tors. theta energy: -124.354 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: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1381.575379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.575379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.575379 (E_RNA) where: Base-Base interactions energy: -907.674 where: short stacking energy: -395.275 Base-Backbone interact. energy: -3.553 local terms energy: -470.348140 where: bonds (distance) C4'-P energy: -86.614 bonds (distance) P-C4' energy: -114.521 flat angles C4'-P-C4' energy: -117.621 flat angles P-C4'-P energy: -80.798 tors. eta vs tors. theta energy: -70.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1319.616337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.616337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.616337 (E_RNA) where: Base-Base interactions energy: -826.977 where: short stacking energy: -392.905 Base-Backbone interact. energy: 4.570 local terms energy: -497.209081 where: bonds (distance) C4'-P energy: -111.223 bonds (distance) P-C4' energy: -114.444 flat angles C4'-P-C4' energy: -115.293 flat angles P-C4'-P energy: -76.815 tors. eta vs tors. theta energy: -79.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -832.463355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.463355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.463355 (E_RNA) where: Base-Base interactions energy: -455.010 where: short stacking energy: -242.479 Base-Backbone interact. energy: 1.871 local terms energy: -379.324865 where: bonds (distance) C4'-P energy: -104.137 bonds (distance) P-C4' energy: -115.168 flat angles C4'-P-C4' energy: -101.665 flat angles P-C4'-P energy: -43.638 tors. eta vs tors. theta energy: -14.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -786.294408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.294408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.294408 (E_RNA) where: Base-Base interactions energy: -363.508 where: short stacking energy: -215.508 Base-Backbone interact. energy: -1.067 local terms energy: -421.719487 where: bonds (distance) C4'-P energy: -123.383 bonds (distance) P-C4' energy: -113.381 flat angles C4'-P-C4' energy: -87.557 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -34.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -491.672836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.672836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.672836 (E_RNA) where: Base-Base interactions energy: -154.720 where: short stacking energy: -144.556 Base-Backbone interact. energy: 0.273 local terms energy: -337.226350 where: bonds (distance) C4'-P energy: -112.394 bonds (distance) P-C4' energy: -101.947 flat angles C4'-P-C4' energy: -95.813 flat angles P-C4'-P energy: -53.778 tors. eta vs tors. theta energy: 26.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2133.999101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.999101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.999101 (E_RNA) where: Base-Base interactions energy: -1473.694 where: short stacking energy: -582.763 Base-Backbone interact. energy: -1.123 local terms energy: -659.181698 where: bonds (distance) C4'-P energy: -128.634 bonds (distance) P-C4' energy: -130.069 flat angles C4'-P-C4' energy: -146.810 flat angles P-C4'-P energy: -97.906 tors. eta vs tors. theta energy: -155.763 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: 122 Temperature: 0.950000 Total energy: -2024.793151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.793151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.793151 (E_RNA) where: Base-Base interactions energy: -1391.255 where: short stacking energy: -630.217 Base-Backbone interact. energy: -2.847 local terms energy: -630.691226 where: bonds (distance) C4'-P energy: -108.274 bonds (distance) P-C4' energy: -122.764 flat angles C4'-P-C4' energy: -140.862 flat angles P-C4'-P energy: -87.667 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: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1934.967628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.967628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.967628 (E_RNA) where: Base-Base interactions energy: -1299.736 where: short stacking energy: -557.285 Base-Backbone interact. energy: -2.485 local terms energy: -632.747064 where: bonds (distance) C4'-P energy: -114.613 bonds (distance) P-C4' energy: -130.815 flat angles C4'-P-C4' energy: -132.278 flat angles P-C4'-P energy: -92.818 tors. eta vs tors. theta energy: -162.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1800.106605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.106605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.106605 (E_RNA) where: Base-Base interactions energy: -1228.203 where: short stacking energy: -567.598 Base-Backbone interact. energy: -4.800 local terms energy: -567.103079 where: bonds (distance) C4'-P energy: -109.636 bonds (distance) P-C4' energy: -105.278 flat angles C4'-P-C4' energy: -118.479 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: -151.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1609.835718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.835718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.835718 (E_RNA) where: Base-Base interactions energy: -1060.908 where: short stacking energy: -471.224 Base-Backbone interact. energy: 1.748 local terms energy: -550.676338 where: bonds (distance) C4'-P energy: -110.933 bonds (distance) P-C4' energy: -105.634 flat angles C4'-P-C4' energy: -137.602 flat angles P-C4'-P energy: -72.589 tors. eta vs tors. theta energy: -123.918 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: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1435.646284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.646284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.646284 (E_RNA) where: Base-Base interactions energy: -981.419 where: short stacking energy: -417.762 Base-Backbone interact. energy: -2.728 local terms energy: -451.499702 where: bonds (distance) C4'-P energy: -94.746 bonds (distance) P-C4' energy: -91.461 flat angles C4'-P-C4' energy: -111.167 flat angles P-C4'-P energy: -74.720 tors. eta vs tors. theta energy: -79.405 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: 122 Temperature: 1.200000 Total energy: -1287.171208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.171208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.171208 (E_RNA) where: Base-Base interactions energy: -806.205 where: short stacking energy: -390.609 Base-Backbone interact. energy: -0.496 local terms energy: -480.470522 where: bonds (distance) C4'-P energy: -100.107 bonds (distance) P-C4' energy: -105.035 flat angles C4'-P-C4' energy: -107.449 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -94.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -854.131979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.131979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.131979 (E_RNA) where: Base-Base interactions energy: -452.425 where: short stacking energy: -239.169 Base-Backbone interact. energy: -1.624 local terms energy: -400.083191 where: bonds (distance) C4'-P energy: -106.931 bonds (distance) P-C4' energy: -104.735 flat angles C4'-P-C4' energy: -93.368 flat angles P-C4'-P energy: -70.773 tors. eta vs tors. theta energy: -24.277 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: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -777.985051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.985051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.985051 (E_RNA) where: Base-Base interactions energy: -410.650 where: short stacking energy: -229.673 Base-Backbone interact. energy: 4.366 local terms energy: -371.700798 where: bonds (distance) C4'-P energy: -98.550 bonds (distance) P-C4' energy: -101.403 flat angles C4'-P-C4' energy: -86.723 flat angles P-C4'-P energy: -63.694 tors. eta vs tors. theta energy: -21.330 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: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -501.018283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.018283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.018283 (E_RNA) where: Base-Base interactions energy: -194.460 where: short stacking energy: -127.253 Base-Backbone interact. energy: 3.102 local terms energy: -309.660041 where: bonds (distance) C4'-P energy: -98.176 bonds (distance) P-C4' energy: -116.493 flat angles C4'-P-C4' energy: -92.695 flat angles P-C4'-P energy: -35.382 tors. eta vs tors. theta energy: 33.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2130.299510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.299510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.299510 (E_RNA) where: Base-Base interactions energy: -1484.386 where: short stacking energy: -609.363 Base-Backbone interact. energy: -3.847 local terms energy: -642.066344 where: bonds (distance) C4'-P energy: -115.514 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -139.240 flat angles P-C4'-P energy: -92.350 tors. eta vs tors. theta energy: -157.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2025.230774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.230774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.230774 (E_RNA) where: Base-Base interactions energy: -1386.568 where: short stacking energy: -573.172 Base-Backbone interact. energy: -1.987 local terms energy: -636.675700 where: bonds (distance) C4'-P energy: -106.926 bonds (distance) P-C4' energy: -129.595 flat angles C4'-P-C4' energy: -144.307 flat angles P-C4'-P energy: -91.047 tors. eta vs tors. theta energy: -164.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1972.464721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.464721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.464721 (E_RNA) where: Base-Base interactions energy: -1337.109 where: short stacking energy: -596.455 Base-Backbone interact. energy: -3.229 local terms energy: -632.127010 where: bonds (distance) C4'-P energy: -104.802 bonds (distance) P-C4' energy: -123.325 flat angles C4'-P-C4' energy: -133.777 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -176.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1823.636740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.636740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.636740 (E_RNA) where: Base-Base interactions energy: -1231.373 where: short stacking energy: -541.386 Base-Backbone interact. energy: -1.390 local terms energy: -590.873820 where: bonds (distance) C4'-P energy: -114.451 bonds (distance) P-C4' energy: -114.698 flat angles C4'-P-C4' energy: -136.147 flat angles P-C4'-P energy: -85.065 tors. eta vs tors. theta energy: -140.514 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: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1602.336701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.336701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.336701 (E_RNA) where: Base-Base interactions energy: -1082.371 where: short stacking energy: -452.072 Base-Backbone interact. energy: 1.908 local terms energy: -521.873312 where: bonds (distance) C4'-P energy: -111.846 bonds (distance) P-C4' energy: -121.385 flat angles C4'-P-C4' energy: -114.500 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -102.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1368.909901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.909901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.909901 (E_RNA) where: Base-Base interactions energy: -865.547 where: short stacking energy: -396.177 Base-Backbone interact. energy: -1.406 local terms energy: -501.956879 where: bonds (distance) C4'-P energy: -94.251 bonds (distance) P-C4' energy: -119.514 flat angles C4'-P-C4' energy: -125.426 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -96.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1385.825302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.825302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.825302 (E_RNA) where: Base-Base interactions energy: -916.364 where: short stacking energy: -404.793 Base-Backbone interact. energy: -2.938 local terms energy: -466.523026 where: bonds (distance) C4'-P energy: -91.111 bonds (distance) P-C4' energy: -95.998 flat angles C4'-P-C4' energy: -119.542 flat angles P-C4'-P energy: -70.325 tors. eta vs tors. theta energy: -89.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -875.200172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.200172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.200172 (E_RNA) where: Base-Base interactions energy: -464.456 where: short stacking energy: -263.302 Base-Backbone interact. energy: 0.060 local terms energy: -410.803858 where: bonds (distance) C4'-P energy: -101.262 bonds (distance) P-C4' energy: -105.187 flat angles C4'-P-C4' energy: -106.828 flat angles P-C4'-P energy: -62.445 tors. eta vs tors. theta energy: -35.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -756.671146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.671146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.671146 (E_RNA) where: Base-Base interactions energy: -365.548 where: short stacking energy: -204.793 Base-Backbone interact. energy: -1.363 local terms energy: -389.759649 where: bonds (distance) C4'-P energy: -98.027 bonds (distance) P-C4' energy: -107.676 flat angles C4'-P-C4' energy: -109.198 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -528.445554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.445554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.445554 (E_RNA) where: Base-Base interactions energy: -194.781 where: short stacking energy: -157.721 Base-Backbone interact. energy: 0.896 local terms energy: -334.560437 where: bonds (distance) C4'-P energy: -106.257 bonds (distance) P-C4' energy: -111.025 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: 13.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2139.260832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.260832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.260832 (E_RNA) where: Base-Base interactions energy: -1492.371 where: short stacking energy: -579.775 Base-Backbone interact. energy: -3.236 local terms energy: -643.653511 where: bonds (distance) C4'-P energy: -129.379 bonds (distance) P-C4' energy: -118.148 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -103.270 tors. eta vs tors. theta energy: -158.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2010.772475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.772475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.772475 (E_RNA) where: Base-Base interactions energy: -1375.459 where: short stacking energy: -597.442 Base-Backbone interact. energy: -2.726 local terms energy: -632.587607 where: bonds (distance) C4'-P energy: -112.193 bonds (distance) P-C4' energy: -116.385 flat angles C4'-P-C4' energy: -135.118 flat angles P-C4'-P energy: -95.574 tors. eta vs tors. theta energy: -173.318 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: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1950.937143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.937143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.937143 (E_RNA) where: Base-Base interactions energy: -1315.263 where: short stacking energy: -577.441 Base-Backbone interact. energy: -2.839 local terms energy: -632.835063 where: bonds (distance) C4'-P energy: -109.296 bonds (distance) P-C4' energy: -128.721 flat angles C4'-P-C4' energy: -141.303 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -163.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1794.137125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.137125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.137125 (E_RNA) where: Base-Base interactions energy: -1221.263 where: short stacking energy: -518.763 Base-Backbone interact. energy: 0.179 local terms energy: -573.052630 where: bonds (distance) C4'-P energy: -104.462 bonds (distance) P-C4' energy: -113.625 flat angles C4'-P-C4' energy: -131.508 flat angles P-C4'-P energy: -87.269 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: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1635.494439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.494439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.494439 (E_RNA) where: Base-Base interactions energy: -1089.601 where: short stacking energy: -451.087 Base-Backbone interact. energy: -2.037 local terms energy: -543.856651 where: bonds (distance) C4'-P energy: -111.190 bonds (distance) P-C4' energy: -113.346 flat angles C4'-P-C4' energy: -126.082 flat angles P-C4'-P energy: -79.034 tors. eta vs tors. theta energy: -114.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1427.633975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.633975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.633975 (E_RNA) where: Base-Base interactions energy: -913.445 where: short stacking energy: -408.097 Base-Backbone interact. energy: -3.040 local terms energy: -511.148610 where: bonds (distance) C4'-P energy: -116.959 bonds (distance) P-C4' energy: -95.978 flat angles C4'-P-C4' energy: -122.605 flat angles P-C4'-P energy: -81.219 tors. eta vs tors. theta energy: -94.387 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1320.720475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.720475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.720475 (E_RNA) where: Base-Base interactions energy: -837.810 where: short stacking energy: -387.443 Base-Backbone interact. energy: -3.029 local terms energy: -479.881563 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -68.891 tors. eta vs tors. theta energy: -85.380 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: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -930.959235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.959235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.959235 (E_RNA) where: Base-Base interactions energy: -507.051 where: short stacking energy: -292.434 Base-Backbone interact. energy: 3.013 local terms energy: -426.920719 where: bonds (distance) C4'-P energy: -97.393 bonds (distance) P-C4' energy: -119.195 flat angles C4'-P-C4' energy: -111.526 flat angles P-C4'-P energy: -51.590 tors. eta vs tors. theta energy: -47.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -787.627926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.627926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.627926 (E_RNA) where: Base-Base interactions energy: -414.175 where: short stacking energy: -233.591 Base-Backbone interact. energy: 3.978 local terms energy: -377.431174 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -116.574 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -51.507 tors. eta vs tors. theta energy: -10.967 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: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -545.026762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.026762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.026762 (E_RNA) where: Base-Base interactions energy: -227.035 where: short stacking energy: -153.880 Base-Backbone interact. energy: 0.056 local terms energy: -318.047982 where: bonds (distance) C4'-P energy: -115.375 bonds (distance) P-C4' energy: -99.647 flat angles C4'-P-C4' energy: -98.461 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: 34.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2149.136072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.136072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.136072 (E_RNA) where: Base-Base interactions energy: -1522.694 where: short stacking energy: -590.709 Base-Backbone interact. energy: -6.012 local terms energy: -620.430702 where: bonds (distance) C4'-P energy: -131.767 bonds (distance) P-C4' energy: -106.906 flat angles C4'-P-C4' energy: -139.665 flat angles P-C4'-P energy: -90.887 tors. eta vs tors. theta energy: -151.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1990.544520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.544520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.544520 (E_RNA) where: Base-Base interactions energy: -1356.380 where: short stacking energy: -614.691 Base-Backbone interact. energy: -4.650 local terms energy: -629.514701 where: bonds (distance) C4'-P energy: -109.930 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -129.074 flat angles P-C4'-P energy: -99.089 tors. eta vs tors. theta energy: -169.579 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: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1982.144786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.144786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.144786 (E_RNA) where: Base-Base interactions energy: -1360.527 where: short stacking energy: -580.920 Base-Backbone interact. energy: -4.093 local terms energy: -617.524681 where: bonds (distance) C4'-P energy: -113.707 bonds (distance) P-C4' energy: -113.850 flat angles C4'-P-C4' energy: -127.696 flat angles P-C4'-P energy: -92.996 tors. eta vs tors. theta energy: -169.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1833.395573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.395573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.395573 (E_RNA) where: Base-Base interactions energy: -1234.503 where: short stacking energy: -519.353 Base-Backbone interact. energy: -2.653 local terms energy: -596.240274 where: bonds (distance) C4'-P energy: -113.591 bonds (distance) P-C4' energy: -116.080 flat angles C4'-P-C4' energy: -132.882 flat angles P-C4'-P energy: -85.377 tors. eta vs tors. theta energy: -148.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1534.396655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.396655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.396655 (E_RNA) where: Base-Base interactions energy: -1045.080 where: short stacking energy: -452.549 Base-Backbone interact. energy: 0.870 local terms energy: -490.187241 where: bonds (distance) C4'-P energy: -91.999 bonds (distance) P-C4' energy: -120.547 flat angles C4'-P-C4' energy: -114.959 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: -102.274 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1475.281270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.281270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.281270 (E_RNA) where: Base-Base interactions energy: -955.331 where: short stacking energy: -474.573 Base-Backbone interact. energy: -0.760 local terms energy: -519.190523 where: bonds (distance) C4'-P energy: -115.850 bonds (distance) P-C4' energy: -97.959 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -99.758 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: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1335.422600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.422600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.422600 (E_RNA) where: Base-Base interactions energy: -906.391 where: short stacking energy: -411.479 Base-Backbone interact. energy: -0.768 local terms energy: -428.263834 where: bonds (distance) C4'-P energy: -80.907 bonds (distance) P-C4' energy: -97.265 flat angles C4'-P-C4' energy: -115.533 flat angles P-C4'-P energy: -67.008 tors. eta vs tors. theta energy: -67.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -854.282291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.282291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.282291 (E_RNA) where: Base-Base interactions energy: -474.645 where: short stacking energy: -253.848 Base-Backbone interact. energy: -2.825 local terms energy: -376.812329 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -104.767 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -21.356 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: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -764.320986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.320986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.320986 (E_RNA) where: Base-Base interactions energy: -424.928 where: short stacking energy: -204.589 Base-Backbone interact. energy: -0.959 local terms energy: -338.433653 where: bonds (distance) C4'-P energy: -82.681 bonds (distance) P-C4' energy: -108.590 flat angles C4'-P-C4' energy: -89.267 flat angles P-C4'-P energy: -46.223 tors. eta vs tors. theta energy: -11.673 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: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -536.551337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.551337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.551337 (E_RNA) where: Base-Base interactions energy: -215.349 where: short stacking energy: -160.156 Base-Backbone interact. energy: -2.213 local terms energy: -318.989206 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -117.573 flat angles C4'-P-C4' energy: -85.166 flat angles P-C4'-P energy: -45.205 tors. eta vs tors. theta energy: 23.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2137.135884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.135884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.135884 (E_RNA) where: Base-Base interactions energy: -1501.439 where: short stacking energy: -610.297 Base-Backbone interact. energy: -0.082 local terms energy: -635.615472 where: bonds (distance) C4'-P energy: -119.395 bonds (distance) P-C4' energy: -123.153 flat angles C4'-P-C4' energy: -147.927 flat angles P-C4'-P energy: -82.262 tors. eta vs tors. theta energy: -162.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2011.497109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.497109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.497109 (E_RNA) where: Base-Base interactions energy: -1386.549 where: short stacking energy: -588.725 Base-Backbone interact. energy: -3.710 local terms energy: -621.238052 where: bonds (distance) C4'-P energy: -115.544 bonds (distance) P-C4' energy: -118.209 flat angles C4'-P-C4' energy: -144.057 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -167.740 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: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1962.436708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.436708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.436708 (E_RNA) where: Base-Base interactions energy: -1317.241 where: short stacking energy: -565.316 Base-Backbone interact. energy: -3.496 local terms energy: -641.699426 where: bonds (distance) C4'-P energy: -115.275 bonds (distance) P-C4' energy: -123.852 flat angles C4'-P-C4' energy: -140.640 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -168.017 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: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1864.017238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.017238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.017238 (E_RNA) where: Base-Base interactions energy: -1310.049 where: short stacking energy: -558.595 Base-Backbone interact. energy: 1.880 local terms energy: -555.848334 where: bonds (distance) C4'-P energy: -105.733 bonds (distance) P-C4' energy: -96.913 flat angles C4'-P-C4' energy: -125.494 flat angles P-C4'-P energy: -84.782 tors. eta vs tors. theta energy: -142.925 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: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1558.166284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.166284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.166284 (E_RNA) where: Base-Base interactions energy: -1036.665 where: short stacking energy: -459.345 Base-Backbone interact. energy: 0.100 local terms energy: -521.601187 where: bonds (distance) C4'-P energy: -106.937 bonds (distance) P-C4' energy: -107.377 flat angles C4'-P-C4' energy: -125.596 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -109.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1432.245624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.245624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.245624 (E_RNA) where: Base-Base interactions energy: -931.268 where: short stacking energy: -441.502 Base-Backbone interact. energy: -1.739 local terms energy: -499.238397 where: bonds (distance) C4'-P energy: -107.590 bonds (distance) P-C4' energy: -93.480 flat angles C4'-P-C4' energy: -123.772 flat angles P-C4'-P energy: -71.793 tors. eta vs tors. theta energy: -102.604 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: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1361.183655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.183655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.183655 (E_RNA) where: Base-Base interactions energy: -890.404 where: short stacking energy: -383.513 Base-Backbone interact. energy: -1.547 local terms energy: -469.232730 where: bonds (distance) C4'-P energy: -92.552 bonds (distance) P-C4' energy: -107.901 flat angles C4'-P-C4' energy: -111.092 flat angles P-C4'-P energy: -74.637 tors. eta vs tors. theta energy: -83.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -850.489452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.489452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.489452 (E_RNA) where: Base-Base interactions energy: -481.703 where: short stacking energy: -258.236 Base-Backbone interact. energy: -1.040 local terms energy: -367.746489 where: bonds (distance) C4'-P energy: -110.405 bonds (distance) P-C4' energy: -109.295 flat angles C4'-P-C4' energy: -92.027 flat angles P-C4'-P energy: -45.934 tors. eta vs tors. theta energy: -10.085 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: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -741.678284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.678284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.678284 (E_RNA) where: Base-Base interactions energy: -406.127 where: short stacking energy: -222.637 Base-Backbone interact. energy: 2.653 local terms energy: -338.204249 where: bonds (distance) C4'-P energy: -102.346 bonds (distance) P-C4' energy: -97.659 flat angles C4'-P-C4' energy: -74.365 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -501.536136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.536136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.536136 (E_RNA) where: Base-Base interactions energy: -221.337 where: short stacking energy: -163.215 Base-Backbone interact. energy: 0.130 local terms energy: -280.329481 where: bonds (distance) C4'-P energy: -76.585 bonds (distance) P-C4' energy: -88.983 flat angles C4'-P-C4' energy: -90.520 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: 23.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2148.841421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.841421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.841421 (E_RNA) where: Base-Base interactions energy: -1495.406 where: short stacking energy: -602.056 Base-Backbone interact. energy: -4.710 local terms energy: -648.724806 where: bonds (distance) C4'-P energy: -121.187 bonds (distance) P-C4' energy: -121.943 flat angles C4'-P-C4' energy: -148.340 flat angles P-C4'-P energy: -95.355 tors. eta vs tors. theta energy: -161.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2041.393067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.393067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.393067 (E_RNA) where: Base-Base interactions energy: -1390.565 where: short stacking energy: -580.935 Base-Backbone interact. energy: -4.347 local terms energy: -646.480721 where: bonds (distance) C4'-P energy: -114.637 bonds (distance) P-C4' energy: -125.668 flat angles C4'-P-C4' energy: -141.109 flat angles P-C4'-P energy: -100.730 tors. eta vs tors. theta energy: -164.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1978.673994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.673994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.673994 (E_RNA) where: Base-Base interactions energy: -1352.536 where: short stacking energy: -591.591 Base-Backbone interact. energy: -2.932 local terms energy: -623.205349 where: bonds (distance) C4'-P energy: -107.621 bonds (distance) P-C4' energy: -120.730 flat angles C4'-P-C4' energy: -140.454 flat angles P-C4'-P energy: -82.073 tors. eta vs tors. theta energy: -172.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1813.136359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.136359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.136359 (E_RNA) where: Base-Base interactions energy: -1211.931 where: short stacking energy: -525.546 Base-Backbone interact. energy: -3.468 local terms energy: -597.737788 where: bonds (distance) C4'-P energy: -128.802 bonds (distance) P-C4' energy: -126.193 flat angles C4'-P-C4' energy: -125.365 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -140.424 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: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1640.246160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.246160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.246160 (E_RNA) where: Base-Base interactions energy: -1105.716 where: short stacking energy: -450.932 Base-Backbone interact. energy: 0.237 local terms energy: -534.767775 where: bonds (distance) C4'-P energy: -105.159 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -128.987 flat angles P-C4'-P energy: -72.707 tors. eta vs tors. theta energy: -116.586 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: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1396.898749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.898749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.898749 (E_RNA) where: Base-Base interactions energy: -880.105 where: short stacking energy: -390.657 Base-Backbone interact. energy: -5.392 local terms energy: -511.401412 where: bonds (distance) C4'-P energy: -104.784 bonds (distance) P-C4' energy: -103.923 flat angles C4'-P-C4' energy: -131.820 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -94.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1445.567335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.567335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.567335 (E_RNA) where: Base-Base interactions energy: -950.951 where: short stacking energy: -427.805 Base-Backbone interact. energy: -3.473 local terms energy: -491.143127 where: bonds (distance) C4'-P energy: -101.900 bonds (distance) P-C4' energy: -118.514 flat angles C4'-P-C4' energy: -108.414 flat angles P-C4'-P energy: -69.637 tors. eta vs tors. theta energy: -92.679 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: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -854.179561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.179561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.179561 (E_RNA) where: Base-Base interactions energy: -468.698 where: short stacking energy: -258.111 Base-Backbone interact. energy: 8.448 local terms energy: -393.929406 where: bonds (distance) C4'-P energy: -112.695 bonds (distance) P-C4' energy: -98.404 flat angles C4'-P-C4' energy: -99.541 flat angles P-C4'-P energy: -59.920 tors. eta vs tors. theta energy: -23.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -717.119895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.119895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.119895 (E_RNA) where: Base-Base interactions energy: -366.870 where: short stacking energy: -218.265 Base-Backbone interact. energy: 3.606 local terms energy: -353.856737 where: bonds (distance) C4'-P energy: -82.768 bonds (distance) P-C4' energy: -110.384 flat angles C4'-P-C4' energy: -111.996 flat angles P-C4'-P energy: -30.362 tors. eta vs tors. theta energy: -18.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -504.807667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.807667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.807667 (E_RNA) where: Base-Base interactions energy: -193.081 where: short stacking energy: -140.184 Base-Backbone interact. energy: -3.727 local terms energy: -307.999108 where: bonds (distance) C4'-P energy: -96.538 bonds (distance) P-C4' energy: -115.342 flat angles C4'-P-C4' energy: -80.465 flat angles P-C4'-P energy: -42.556 tors. eta vs tors. theta energy: 26.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2134.870572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.870572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.870572 (E_RNA) where: Base-Base interactions energy: -1484.241 where: short stacking energy: -615.349 Base-Backbone interact. energy: 1.043 local terms energy: -651.672077 where: bonds (distance) C4'-P energy: -118.461 bonds (distance) P-C4' energy: -121.450 flat angles C4'-P-C4' energy: -145.866 flat angles P-C4'-P energy: -99.720 tors. eta vs tors. theta energy: -166.175 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: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1979.882561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.882561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.882561 (E_RNA) where: Base-Base interactions energy: -1348.759 where: short stacking energy: -585.659 Base-Backbone interact. energy: -2.314 local terms energy: -628.809352 where: bonds (distance) C4'-P energy: -115.014 bonds (distance) P-C4' energy: -125.212 flat angles C4'-P-C4' energy: -137.751 flat angles P-C4'-P energy: -86.925 tors. eta vs tors. theta energy: -163.907 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: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1965.262456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.262456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.262456 (E_RNA) where: Base-Base interactions energy: -1339.129 where: short stacking energy: -582.842 Base-Backbone interact. energy: -0.017 local terms energy: -626.116353 where: bonds (distance) C4'-P energy: -117.966 bonds (distance) P-C4' energy: -121.221 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -85.353 tors. eta vs tors. theta energy: -174.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1812.511135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.511135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.511135 (E_RNA) where: Base-Base interactions energy: -1226.854 where: short stacking energy: -548.884 Base-Backbone interact. energy: -2.010 local terms energy: -583.647060 where: bonds (distance) C4'-P energy: -117.988 bonds (distance) P-C4' energy: -115.168 flat angles C4'-P-C4' energy: -119.308 flat angles P-C4'-P energy: -90.776 tors. eta vs tors. theta energy: -140.406 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: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1611.628811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.628811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.628811 (E_RNA) where: Base-Base interactions energy: -1098.664 where: short stacking energy: -461.249 Base-Backbone interact. energy: -3.537 local terms energy: -509.427778 where: bonds (distance) C4'-P energy: -103.047 bonds (distance) P-C4' energy: -103.636 flat angles C4'-P-C4' energy: -126.489 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: -110.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1444.056533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.056533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.056533 (E_RNA) where: Base-Base interactions energy: -961.970 where: short stacking energy: -433.929 Base-Backbone interact. energy: 0.354 local terms energy: -482.440398 where: bonds (distance) C4'-P energy: -95.313 bonds (distance) P-C4' energy: -98.463 flat angles C4'-P-C4' energy: -112.125 flat angles P-C4'-P energy: -81.764 tors. eta vs tors. theta energy: -94.776 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: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1442.549828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.549828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.549828 (E_RNA) where: Base-Base interactions energy: -907.677 where: short stacking energy: -401.387 Base-Backbone interact. energy: -1.049 local terms energy: -533.823477 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -125.504 flat angles C4'-P-C4' energy: -118.586 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -106.022 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: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -848.191790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.191790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.191790 (E_RNA) where: Base-Base interactions energy: -434.561 where: short stacking energy: -237.371 Base-Backbone interact. energy: -1.156 local terms energy: -412.474921 where: bonds (distance) C4'-P energy: -111.771 bonds (distance) P-C4' energy: -120.645 flat angles C4'-P-C4' energy: -108.377 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -19.584 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: 9, replica: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -677.833763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.833763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.833763 (E_RNA) where: Base-Base interactions energy: -305.934 where: short stacking energy: -184.876 Base-Backbone interact. energy: 0.462 local terms energy: -372.361950 where: bonds (distance) C4'-P energy: -99.739 bonds (distance) P-C4' energy: -118.989 flat angles C4'-P-C4' energy: -106.544 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: 2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -512.756480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.756480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.756480 (E_RNA) where: Base-Base interactions energy: -208.755 where: short stacking energy: -158.550 Base-Backbone interact. energy: -2.104 local terms energy: -301.897531 where: bonds (distance) C4'-P energy: -79.964 bonds (distance) P-C4' energy: -100.629 flat angles C4'-P-C4' energy: -92.955 flat angles P-C4'-P energy: -54.434 tors. eta vs tors. theta energy: 26.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2152.006773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.006773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.006773 (E_RNA) where: Base-Base interactions energy: -1510.441 where: short stacking energy: -585.314 Base-Backbone interact. energy: -2.417 local terms energy: -639.148460 where: bonds (distance) C4'-P energy: -122.954 bonds (distance) P-C4' energy: -120.017 flat angles C4'-P-C4' energy: -134.014 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -158.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2032.000037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.000037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.000037 (E_RNA) where: Base-Base interactions energy: -1365.952 where: short stacking energy: -577.836 Base-Backbone interact. energy: -5.630 local terms energy: -660.417936 where: bonds (distance) C4'-P energy: -137.578 bonds (distance) P-C4' energy: -119.983 flat angles C4'-P-C4' energy: -142.774 flat angles P-C4'-P energy: -92.393 tors. eta vs tors. theta energy: -167.690 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: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1947.349213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.349213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.349213 (E_RNA) where: Base-Base interactions energy: -1335.492 where: short stacking energy: -570.395 Base-Backbone interact. energy: -3.562 local terms energy: -608.295535 where: bonds (distance) C4'-P energy: -122.870 bonds (distance) P-C4' energy: -116.329 flat angles C4'-P-C4' energy: -127.550 flat angles P-C4'-P energy: -91.280 tors. eta vs tors. theta energy: -150.266 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: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1807.585018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.585018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.585018 (E_RNA) where: Base-Base interactions energy: -1208.644 where: short stacking energy: -537.895 Base-Backbone interact. energy: 4.695 local terms energy: -603.636351 where: bonds (distance) C4'-P energy: -114.981 bonds (distance) P-C4' energy: -114.737 flat angles C4'-P-C4' energy: -136.885 flat angles P-C4'-P energy: -86.520 tors. eta vs tors. theta energy: -150.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1634.474863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.474863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.474863 (E_RNA) where: Base-Base interactions energy: -1099.292 where: short stacking energy: -453.089 Base-Backbone interact. energy: -3.187 local terms energy: -531.995345 where: bonds (distance) C4'-P energy: -107.209 bonds (distance) P-C4' energy: -116.725 flat angles C4'-P-C4' energy: -122.572 flat angles P-C4'-P energy: -73.698 tors. eta vs tors. theta energy: -111.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1500.874444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.874444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.874444 (E_RNA) where: Base-Base interactions energy: -982.703 where: short stacking energy: -452.838 Base-Backbone interact. energy: -0.576 local terms energy: -517.594709 where: bonds (distance) C4'-P energy: -97.375 bonds (distance) P-C4' energy: -108.344 flat angles C4'-P-C4' energy: -112.656 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -123.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1385.954363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.954363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.954363 (E_RNA) where: Base-Base interactions energy: -882.280 where: short stacking energy: -395.210 Base-Backbone interact. energy: 1.166 local terms energy: -504.840159 where: bonds (distance) C4'-P energy: -116.936 bonds (distance) P-C4' energy: -103.513 flat angles C4'-P-C4' energy: -118.319 flat angles P-C4'-P energy: -59.202 tors. eta vs tors. theta energy: -106.871 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: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -890.940277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.940277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.940277 (E_RNA) where: Base-Base interactions energy: -464.112 where: short stacking energy: -247.583 Base-Backbone interact. energy: -0.704 local terms energy: -426.123390 where: bonds (distance) C4'-P energy: -93.144 bonds (distance) P-C4' energy: -113.881 flat angles C4'-P-C4' energy: -106.712 flat angles P-C4'-P energy: -70.996 tors. eta vs tors. theta energy: -41.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -725.060413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.060413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.060413 (E_RNA) where: Base-Base interactions energy: -359.868 where: short stacking energy: -202.623 Base-Backbone interact. energy: -0.847 local terms energy: -364.345573 where: bonds (distance) C4'-P energy: -100.213 bonds (distance) P-C4' energy: -97.952 flat angles C4'-P-C4' energy: -91.318 flat angles P-C4'-P energy: -75.148 tors. eta vs tors. theta energy: 0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -508.512106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.512106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.512106 (E_RNA) where: Base-Base interactions energy: -184.911 where: short stacking energy: -135.559 Base-Backbone interact. energy: 3.467 local terms energy: -327.067960 where: bonds (distance) C4'-P energy: -105.197 bonds (distance) P-C4' energy: -103.266 flat angles C4'-P-C4' energy: -88.121 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: 23.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2145.136939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.136939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.136939 (E_RNA) where: Base-Base interactions energy: -1522.401 where: short stacking energy: -603.480 Base-Backbone interact. energy: -0.356 local terms energy: -622.379906 where: bonds (distance) C4'-P energy: -108.705 bonds (distance) P-C4' energy: -120.465 flat angles C4'-P-C4' energy: -144.070 flat angles P-C4'-P energy: -90.838 tors. eta vs tors. theta energy: -158.302 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: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2034.244693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.244693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.244693 (E_RNA) where: Base-Base interactions energy: -1389.738 where: short stacking energy: -592.654 Base-Backbone interact. energy: -0.158 local terms energy: -644.348827 where: bonds (distance) C4'-P energy: -111.111 bonds (distance) P-C4' energy: -116.996 flat angles C4'-P-C4' energy: -143.646 flat angles P-C4'-P energy: -109.147 tors. eta vs tors. theta energy: -163.450 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1963.522447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.522447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.522447 (E_RNA) where: Base-Base interactions energy: -1334.840 where: short stacking energy: -569.334 Base-Backbone interact. energy: -5.637 local terms energy: -623.045409 where: bonds (distance) C4'-P energy: -114.509 bonds (distance) P-C4' energy: -132.118 flat angles C4'-P-C4' energy: -127.182 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -165.481 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: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1819.653106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.653106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.653106 (E_RNA) where: Base-Base interactions energy: -1227.253 where: short stacking energy: -541.149 Base-Backbone interact. energy: 1.763 local terms energy: -594.163363 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -115.789 flat angles C4'-P-C4' energy: -132.820 flat angles P-C4'-P energy: -81.079 tors. eta vs tors. theta energy: -149.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1664.442778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.442778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.442778 (E_RNA) where: Base-Base interactions energy: -1105.168 where: short stacking energy: -480.720 Base-Backbone interact. energy: -3.290 local terms energy: -555.984856 where: bonds (distance) C4'-P energy: -116.827 bonds (distance) P-C4' energy: -117.308 flat angles C4'-P-C4' energy: -129.332 flat angles P-C4'-P energy: -77.595 tors. eta vs tors. theta energy: -114.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1460.928129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.928129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.928129 (E_RNA) where: Base-Base interactions energy: -952.970 where: short stacking energy: -420.670 Base-Backbone interact. energy: -1.126 local terms energy: -506.832293 where: bonds (distance) C4'-P energy: -99.916 bonds (distance) P-C4' energy: -116.776 flat angles C4'-P-C4' energy: -125.685 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: -93.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1368.319213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.319213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.319213 (E_RNA) where: Base-Base interactions energy: -869.697 where: short stacking energy: -379.309 Base-Backbone interact. energy: -2.811 local terms energy: -495.811326 where: bonds (distance) C4'-P energy: -109.640 bonds (distance) P-C4' energy: -107.666 flat angles C4'-P-C4' energy: -116.614 flat angles P-C4'-P energy: -78.536 tors. eta vs tors. theta energy: -83.354 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: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -856.796451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.796451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.796451 (E_RNA) where: Base-Base interactions energy: -451.582 where: short stacking energy: -231.530 Base-Backbone interact. energy: 2.488 local terms energy: -407.702549 where: bonds (distance) C4'-P energy: -121.034 bonds (distance) P-C4' energy: -116.495 flat angles C4'-P-C4' energy: -94.425 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -726.768242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.768242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.768242 (E_RNA) where: Base-Base interactions energy: -390.792 where: short stacking energy: -231.801 Base-Backbone interact. energy: 3.136 local terms energy: -339.113042 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -98.985 flat angles C4'-P-C4' energy: -89.997 flat angles P-C4'-P energy: -65.260 tors. eta vs tors. theta energy: -8.695 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -524.784555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.784555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.784555 (E_RNA) where: Base-Base interactions energy: -204.917 where: short stacking energy: -147.879 Base-Backbone interact. energy: 12.793 local terms energy: -332.661459 where: bonds (distance) C4'-P energy: -120.738 bonds (distance) P-C4' energy: -108.131 flat angles C4'-P-C4' energy: -91.682 flat angles P-C4'-P energy: -35.455 tors. eta vs tors. theta energy: 23.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2136.208381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.208381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.208381 (E_RNA) where: Base-Base interactions energy: -1487.342 where: short stacking energy: -573.849 Base-Backbone interact. energy: -5.080 local terms energy: -643.786828 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -120.114 flat angles C4'-P-C4' energy: -139.897 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -154.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2051.711863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.711863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.711863 (E_RNA) where: Base-Base interactions energy: -1404.100 where: short stacking energy: -576.485 Base-Backbone interact. energy: -0.844 local terms energy: -646.767332 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -140.748 flat angles C4'-P-C4' energy: -133.656 flat angles P-C4'-P energy: -88.701 tors. eta vs tors. theta energy: -169.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1968.230071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.230071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.230071 (E_RNA) where: Base-Base interactions energy: -1318.380 where: short stacking energy: -574.098 Base-Backbone interact. energy: -0.812 local terms energy: -649.038414 where: bonds (distance) C4'-P energy: -130.315 bonds (distance) P-C4' energy: -113.289 flat angles C4'-P-C4' energy: -140.180 flat angles P-C4'-P energy: -97.058 tors. eta vs tors. theta energy: -168.197 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: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1787.209957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.209957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.209957 (E_RNA) where: Base-Base interactions energy: -1183.538 where: short stacking energy: -548.470 Base-Backbone interact. energy: -1.907 local terms energy: -601.765085 where: bonds (distance) C4'-P energy: -110.268 bonds (distance) P-C4' energy: -122.186 flat angles C4'-P-C4' energy: -132.734 flat angles P-C4'-P energy: -88.852 tors. eta vs tors. theta energy: -147.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1706.125615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.125615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.125615 (E_RNA) where: Base-Base interactions energy: -1152.905 where: short stacking energy: -495.278 Base-Backbone interact. energy: -3.484 local terms energy: -549.737283 where: bonds (distance) C4'-P energy: -102.456 bonds (distance) P-C4' energy: -121.646 flat angles C4'-P-C4' energy: -115.588 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -131.770 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: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1504.521448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.521448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.521448 (E_RNA) where: Base-Base interactions energy: -985.453 where: short stacking energy: -441.673 Base-Backbone interact. energy: -5.067 local terms energy: -514.001418 where: bonds (distance) C4'-P energy: -105.067 bonds (distance) P-C4' energy: -97.900 flat angles C4'-P-C4' energy: -107.948 flat angles P-C4'-P energy: -92.957 tors. eta vs tors. theta energy: -110.129 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: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1417.862514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.862514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.862514 (E_RNA) where: Base-Base interactions energy: -925.964 where: short stacking energy: -423.680 Base-Backbone interact. energy: -4.290 local terms energy: -487.607678 where: bonds (distance) C4'-P energy: -101.503 bonds (distance) P-C4' energy: -103.280 flat angles C4'-P-C4' energy: -122.307 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -97.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -855.109359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.109359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.109359 (E_RNA) where: Base-Base interactions energy: -463.640 where: short stacking energy: -246.857 Base-Backbone interact. energy: -1.165 local terms energy: -390.304610 where: bonds (distance) C4'-P energy: -86.605 bonds (distance) P-C4' energy: -97.022 flat angles C4'-P-C4' energy: -100.707 flat angles P-C4'-P energy: -71.182 tors. eta vs tors. theta energy: -34.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -666.036896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.036896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.036896 (E_RNA) where: Base-Base interactions energy: -323.279 where: short stacking energy: -198.174 Base-Backbone interact. energy: 0.128 local terms energy: -342.885786 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -104.902 flat angles C4'-P-C4' energy: -92.155 flat angles P-C4'-P energy: -68.928 tors. eta vs tors. theta energy: 20.011 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: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -548.849826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.849826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.849826 (E_RNA) where: Base-Base interactions energy: -201.641 where: short stacking energy: -176.982 Base-Backbone interact. energy: -0.755 local terms energy: -346.454090 where: bonds (distance) C4'-P energy: -97.476 bonds (distance) P-C4' energy: -117.681 flat angles C4'-P-C4' energy: -85.864 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: 2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2134.159873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.159873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.159873 (E_RNA) where: Base-Base interactions energy: -1479.979 where: short stacking energy: -601.175 Base-Backbone interact. energy: -0.070 local terms energy: -654.111266 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -131.377 flat angles C4'-P-C4' energy: -141.436 flat angles P-C4'-P energy: -88.793 tors. eta vs tors. theta energy: -162.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2028.341417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.341417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.341417 (E_RNA) where: Base-Base interactions energy: -1393.294 where: short stacking energy: -577.539 Base-Backbone interact. energy: -0.514 local terms energy: -634.534027 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -125.598 flat angles C4'-P-C4' energy: -143.079 flat angles P-C4'-P energy: -91.137 tors. eta vs tors. theta energy: -166.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1957.505413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.505413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.505413 (E_RNA) where: Base-Base interactions energy: -1346.797 where: short stacking energy: -568.683 Base-Backbone interact. energy: -2.713 local terms energy: -607.995316 where: bonds (distance) C4'-P energy: -99.957 bonds (distance) P-C4' energy: -116.840 flat angles C4'-P-C4' energy: -138.470 flat angles P-C4'-P energy: -94.079 tors. eta vs tors. theta energy: -158.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1791.123655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.123655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.123655 (E_RNA) where: Base-Base interactions energy: -1219.802 where: short stacking energy: -553.972 Base-Backbone interact. energy: -2.621 local terms energy: -568.701173 where: bonds (distance) C4'-P energy: -93.682 bonds (distance) P-C4' energy: -116.996 flat angles C4'-P-C4' energy: -135.361 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: -141.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1715.318103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.318103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.318103 (E_RNA) where: Base-Base interactions energy: -1157.838 where: short stacking energy: -494.837 Base-Backbone interact. energy: 2.165 local terms energy: -559.645315 where: bonds (distance) C4'-P energy: -89.816 bonds (distance) P-C4' energy: -124.482 flat angles C4'-P-C4' energy: -134.533 flat angles P-C4'-P energy: -83.607 tors. eta vs tors. theta energy: -127.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1536.640306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.640306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.640306 (E_RNA) where: Base-Base interactions energy: -1015.575 where: short stacking energy: -443.522 Base-Backbone interact. energy: -0.936 local terms energy: -520.129782 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -133.565 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -79.142 tors. eta vs tors. theta energy: -90.670 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: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1399.019872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.019872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.019872 (E_RNA) where: Base-Base interactions energy: -902.902 where: short stacking energy: -408.169 Base-Backbone interact. energy: 0.267 local terms energy: -496.384654 where: bonds (distance) C4'-P energy: -102.741 bonds (distance) P-C4' energy: -103.557 flat angles C4'-P-C4' energy: -118.608 flat angles P-C4'-P energy: -73.919 tors. eta vs tors. theta energy: -97.560 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: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -862.771343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.771343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.771343 (E_RNA) where: Base-Base interactions energy: -437.588 where: short stacking energy: -245.816 Base-Backbone interact. energy: -4.137 local terms energy: -421.046151 where: bonds (distance) C4'-P energy: -106.591 bonds (distance) P-C4' energy: -116.863 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: -16.511 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: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -703.960679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.960679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.960679 (E_RNA) where: Base-Base interactions energy: -336.377 where: short stacking energy: -214.794 Base-Backbone interact. energy: -1.996 local terms energy: -365.586787 where: bonds (distance) C4'-P energy: -90.309 bonds (distance) P-C4' energy: -94.331 flat angles C4'-P-C4' energy: -101.481 flat angles P-C4'-P energy: -59.351 tors. eta vs tors. theta energy: -20.114 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: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -483.823204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.823204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.823204 (E_RNA) where: Base-Base interactions energy: -154.413 where: short stacking energy: -113.185 Base-Backbone interact. energy: -3.776 local terms energy: -325.634070 where: bonds (distance) C4'-P energy: -87.731 bonds (distance) P-C4' energy: -118.781 flat angles C4'-P-C4' energy: -95.236 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: 32.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2118.801112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.801112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.801112 (E_RNA) where: Base-Base interactions energy: -1481.791 where: short stacking energy: -599.142 Base-Backbone interact. energy: -4.321 local terms energy: -632.689627 where: bonds (distance) C4'-P energy: -119.500 bonds (distance) P-C4' energy: -129.772 flat angles C4'-P-C4' energy: -143.587 flat angles P-C4'-P energy: -87.165 tors. eta vs tors. theta energy: -152.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2060.970567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.970567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.970567 (E_RNA) where: Base-Base interactions energy: -1413.912 where: short stacking energy: -612.056 Base-Backbone interact. energy: -0.546 local terms energy: -646.512142 where: bonds (distance) C4'-P energy: -116.904 bonds (distance) P-C4' energy: -116.632 flat angles C4'-P-C4' energy: -133.054 flat angles P-C4'-P energy: -96.915 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: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1951.804366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.804366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.804366 (E_RNA) where: Base-Base interactions energy: -1329.674 where: short stacking energy: -543.215 Base-Backbone interact. energy: -0.666 local terms energy: -621.464489 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -125.251 flat angles C4'-P-C4' energy: -133.122 flat angles P-C4'-P energy: -91.594 tors. eta vs tors. theta energy: -152.918 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: 133 Temperature: 1.050000 Total energy: -1728.618706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.618706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.618706 (E_RNA) where: Base-Base interactions energy: -1179.755 where: short stacking energy: -529.961 Base-Backbone interact. energy: 0.758 local terms energy: -549.621912 where: bonds (distance) C4'-P energy: -100.343 bonds (distance) P-C4' energy: -112.317 flat angles C4'-P-C4' energy: -120.338 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -128.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1674.741889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.741889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.741889 (E_RNA) where: Base-Base interactions energy: -1115.995 where: short stacking energy: -485.510 Base-Backbone interact. energy: -1.583 local terms energy: -557.164052 where: bonds (distance) C4'-P energy: -101.483 bonds (distance) P-C4' energy: -127.116 flat angles C4'-P-C4' energy: -130.231 flat angles P-C4'-P energy: -74.306 tors. eta vs tors. theta energy: -124.027 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: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1583.128364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.128364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.128364 (E_RNA) where: Base-Base interactions energy: -1085.301 where: short stacking energy: -476.157 Base-Backbone interact. energy: -3.433 local terms energy: -494.394594 where: bonds (distance) C4'-P energy: -94.801 bonds (distance) P-C4' energy: -99.570 flat angles C4'-P-C4' energy: -114.169 flat angles P-C4'-P energy: -64.065 tors. eta vs tors. theta energy: -121.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1401.588559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.588559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.588559 (E_RNA) where: Base-Base interactions energy: -890.857 where: short stacking energy: -414.640 Base-Backbone interact. energy: -3.506 local terms energy: -507.225603 where: bonds (distance) C4'-P energy: -102.646 bonds (distance) P-C4' energy: -105.180 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -85.514 tors. eta vs tors. theta energy: -94.474 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: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -896.148716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.148716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.148716 (E_RNA) where: Base-Base interactions energy: -522.322 where: short stacking energy: -290.365 Base-Backbone interact. energy: -0.594 local terms energy: -373.233085 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -106.476 flat angles C4'-P-C4' energy: -111.930 flat angles P-C4'-P energy: -41.219 tors. eta vs tors. theta energy: -26.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -727.302875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.302875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.302875 (E_RNA) where: Base-Base interactions energy: -369.735 where: short stacking energy: -213.557 Base-Backbone interact. energy: 6.528 local terms energy: -364.095821 where: bonds (distance) C4'-P energy: -104.454 bonds (distance) P-C4' energy: -108.590 flat angles C4'-P-C4' energy: -105.753 flat angles P-C4'-P energy: -40.417 tors. eta vs tors. theta energy: -4.882 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: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -530.138501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.138501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.138501 (E_RNA) where: Base-Base interactions energy: -246.412 where: short stacking energy: -166.448 Base-Backbone interact. energy: 0.147 local terms energy: -283.873536 where: bonds (distance) C4'-P energy: -87.522 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -79.744 flat angles P-C4'-P energy: -34.383 tors. eta vs tors. theta energy: 14.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2106.345509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.345509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.345509 (E_RNA) where: Base-Base interactions energy: -1447.937 where: short stacking energy: -594.317 Base-Backbone interact. energy: -4.761 local terms energy: -653.647473 where: bonds (distance) C4'-P energy: -126.690 bonds (distance) P-C4' energy: -128.865 flat angles C4'-P-C4' energy: -141.305 flat angles P-C4'-P energy: -94.189 tors. eta vs tors. theta energy: -162.599 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: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2036.633178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.633178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.633178 (E_RNA) where: Base-Base interactions energy: -1391.107 where: short stacking energy: -620.226 Base-Backbone interact. energy: -2.535 local terms energy: -642.991181 where: bonds (distance) C4'-P energy: -120.117 bonds (distance) P-C4' energy: -122.905 flat angles C4'-P-C4' energy: -138.685 flat angles P-C4'-P energy: -91.439 tors. eta vs tors. theta energy: -169.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1986.652292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.652292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.652292 (E_RNA) where: Base-Base interactions energy: -1357.401 where: short stacking energy: -580.833 Base-Backbone interact. energy: -2.149 local terms energy: -627.102045 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -134.667 flat angles P-C4'-P energy: -88.186 tors. eta vs tors. theta energy: -161.857 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: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1780.216421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.216421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.216421 (E_RNA) where: Base-Base interactions energy: -1190.801 where: short stacking energy: -512.951 Base-Backbone interact. energy: -4.126 local terms energy: -585.289312 where: bonds (distance) C4'-P energy: -114.850 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -133.208 flat angles P-C4'-P energy: -84.198 tors. eta vs tors. theta energy: -140.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1704.043667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.043667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.043667 (E_RNA) where: Base-Base interactions energy: -1167.699 where: short stacking energy: -494.018 Base-Backbone interact. energy: -0.191 local terms energy: -536.153460 where: bonds (distance) C4'-P energy: -106.312 bonds (distance) P-C4' energy: -112.894 flat angles C4'-P-C4' energy: -112.627 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -123.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1555.165858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.165858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.165858 (E_RNA) where: Base-Base interactions energy: -1013.275 where: short stacking energy: -434.830 Base-Backbone interact. energy: -2.480 local terms energy: -539.410834 where: bonds (distance) C4'-P energy: -118.064 bonds (distance) P-C4' energy: -113.794 flat angles C4'-P-C4' energy: -122.115 flat angles P-C4'-P energy: -75.607 tors. eta vs tors. theta energy: -109.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1363.050551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.050551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.050551 (E_RNA) where: Base-Base interactions energy: -873.405 where: short stacking energy: -388.508 Base-Backbone interact. energy: -3.698 local terms energy: -485.947704 where: bonds (distance) C4'-P energy: -103.959 bonds (distance) P-C4' energy: -97.161 flat angles C4'-P-C4' energy: -116.240 flat angles P-C4'-P energy: -76.143 tors. eta vs tors. theta energy: -92.445 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: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -872.486066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.486066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.486066 (E_RNA) where: Base-Base interactions energy: -464.483 where: short stacking energy: -250.436 Base-Backbone interact. energy: 8.924 local terms energy: -416.927014 where: bonds (distance) C4'-P energy: -111.632 bonds (distance) P-C4' energy: -93.771 flat angles C4'-P-C4' energy: -96.534 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -40.079 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: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -702.023418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.023418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.023418 (E_RNA) where: Base-Base interactions energy: -326.003 where: short stacking energy: -209.614 Base-Backbone interact. energy: 1.637 local terms energy: -377.657450 where: bonds (distance) C4'-P energy: -110.872 bonds (distance) P-C4' energy: -115.113 flat angles C4'-P-C4' energy: -79.608 flat angles P-C4'-P energy: -50.306 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: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -555.865681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.865681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.865681 (E_RNA) where: Base-Base interactions energy: -207.716 where: short stacking energy: -144.880 Base-Backbone interact. energy: -2.268 local terms energy: -345.882303 where: bonds (distance) C4'-P energy: -101.911 bonds (distance) P-C4' energy: -116.128 flat angles C4'-P-C4' energy: -86.918 flat angles P-C4'-P energy: -51.181 tors. eta vs tors. theta energy: 10.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2090.857075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.857075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.857075 (E_RNA) where: Base-Base interactions energy: -1446.364 where: short stacking energy: -571.996 Base-Backbone interact. energy: -0.782 local terms energy: -643.710859 where: bonds (distance) C4'-P energy: -126.525 bonds (distance) P-C4' energy: -128.258 flat angles C4'-P-C4' energy: -147.997 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: -157.974 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: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2014.589254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.589254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.589254 (E_RNA) where: Base-Base interactions energy: -1373.713 where: short stacking energy: -594.188 Base-Backbone interact. energy: -2.134 local terms energy: -638.741970 where: bonds (distance) C4'-P energy: -110.788 bonds (distance) P-C4' energy: -132.117 flat angles C4'-P-C4' energy: -122.940 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -189.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1957.801047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.801047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.801047 (E_RNA) where: Base-Base interactions energy: -1323.061 where: short stacking energy: -538.941 Base-Backbone interact. energy: -5.652 local terms energy: -629.087916 where: bonds (distance) C4'-P energy: -116.106 bonds (distance) P-C4' energy: -122.374 flat angles C4'-P-C4' energy: -135.379 flat angles P-C4'-P energy: -91.243 tors. eta vs tors. theta energy: -163.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1786.582532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.582532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.582532 (E_RNA) where: Base-Base interactions energy: -1215.967 where: short stacking energy: -504.176 Base-Backbone interact. energy: -4.094 local terms energy: -566.521357 where: bonds (distance) C4'-P energy: -91.708 bonds (distance) P-C4' energy: -110.140 flat angles C4'-P-C4' energy: -128.263 flat angles P-C4'-P energy: -93.083 tors. eta vs tors. theta energy: -143.328 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: 135 Temperature: 1.100000 Total energy: -1731.328630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.328630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.328630 (E_RNA) where: Base-Base interactions energy: -1183.970 where: short stacking energy: -507.273 Base-Backbone interact. energy: -0.694 local terms energy: -546.664985 where: bonds (distance) C4'-P energy: -107.187 bonds (distance) P-C4' energy: -110.349 flat angles C4'-P-C4' energy: -119.778 flat angles P-C4'-P energy: -78.087 tors. eta vs tors. theta energy: -131.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1512.871270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.871270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.871270 (E_RNA) where: Base-Base interactions energy: -972.370 where: short stacking energy: -452.966 Base-Backbone interact. energy: 0.683 local terms energy: -541.183974 where: bonds (distance) C4'-P energy: -96.942 bonds (distance) P-C4' energy: -106.132 flat angles C4'-P-C4' energy: -135.635 flat angles P-C4'-P energy: -91.728 tors. eta vs tors. theta energy: -110.747 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: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1373.734709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.734709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.734709 (E_RNA) where: Base-Base interactions energy: -889.482 where: short stacking energy: -397.794 Base-Backbone interact. energy: -1.723 local terms energy: -482.529742 where: bonds (distance) C4'-P energy: -118.939 bonds (distance) P-C4' energy: -103.858 flat angles C4'-P-C4' energy: -116.468 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -80.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -869.237746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.237746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.237746 (E_RNA) where: Base-Base interactions energy: -459.121 where: short stacking energy: -238.964 Base-Backbone interact. energy: -6.050 local terms energy: -404.066612 where: bonds (distance) C4'-P energy: -102.928 bonds (distance) P-C4' energy: -106.645 flat angles C4'-P-C4' energy: -107.348 flat angles P-C4'-P energy: -69.722 tors. eta vs tors. theta energy: -17.424 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: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -741.246056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.246056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.246056 (E_RNA) where: Base-Base interactions energy: -375.467 where: short stacking energy: -229.924 Base-Backbone interact. energy: 5.741 local terms energy: -371.519958 where: bonds (distance) C4'-P energy: -100.713 bonds (distance) P-C4' energy: -118.178 flat angles C4'-P-C4' energy: -101.900 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -7.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -503.567595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.567595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.567595 (E_RNA) where: Base-Base interactions energy: -183.931 where: short stacking energy: -140.456 Base-Backbone interact. energy: -3.084 local terms energy: -316.553201 where: bonds (distance) C4'-P energy: -103.241 bonds (distance) P-C4' energy: -99.452 flat angles C4'-P-C4' energy: -79.315 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: 22.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2107.562879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.562879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.562879 (E_RNA) where: Base-Base interactions energy: -1437.553 where: short stacking energy: -630.599 Base-Backbone interact. energy: -2.110 local terms energy: -667.899839 where: bonds (distance) C4'-P energy: -130.853 bonds (distance) P-C4' energy: -129.226 flat angles C4'-P-C4' energy: -136.449 flat angles P-C4'-P energy: -94.259 tors. eta vs tors. theta energy: -177.112 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: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2027.672242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.672242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.672242 (E_RNA) where: Base-Base interactions energy: -1418.920 where: short stacking energy: -565.944 Base-Backbone interact. energy: -5.232 local terms energy: -603.519641 where: bonds (distance) C4'-P energy: -111.047 bonds (distance) P-C4' energy: -113.355 flat angles C4'-P-C4' energy: -135.446 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -150.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2026.833346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.833346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.833346 (E_RNA) where: Base-Base interactions energy: -1412.500 where: short stacking energy: -580.204 Base-Backbone interact. energy: -5.286 local terms energy: -609.047229 where: bonds (distance) C4'-P energy: -98.412 bonds (distance) P-C4' energy: -124.102 flat angles C4'-P-C4' energy: -134.964 flat angles P-C4'-P energy: -87.396 tors. eta vs tors. theta energy: -164.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1799.744765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.744765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.744765 (E_RNA) where: Base-Base interactions energy: -1224.815 where: short stacking energy: -517.153 Base-Backbone interact. energy: -2.090 local terms energy: -572.839047 where: bonds (distance) C4'-P energy: -124.339 bonds (distance) P-C4' energy: -103.125 flat angles C4'-P-C4' energy: -124.104 flat angles P-C4'-P energy: -84.778 tors. eta vs tors. theta energy: -136.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1697.480625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.480625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.480625 (E_RNA) where: Base-Base interactions energy: -1120.411 where: short stacking energy: -496.378 Base-Backbone interact. energy: -0.610 local terms energy: -576.459711 where: bonds (distance) C4'-P energy: -125.003 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -132.929 flat angles P-C4'-P energy: -78.056 tors. eta vs tors. theta energy: -133.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1521.772804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.772804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.772804 (E_RNA) where: Base-Base interactions energy: -985.700 where: short stacking energy: -411.244 Base-Backbone interact. energy: -1.236 local terms energy: -534.836439 where: bonds (distance) C4'-P energy: -111.568 bonds (distance) P-C4' energy: -119.256 flat angles C4'-P-C4' energy: -118.441 flat angles P-C4'-P energy: -82.439 tors. eta vs tors. theta energy: -103.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1411.947133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.947133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.947133 (E_RNA) where: Base-Base interactions energy: -952.785 where: short stacking energy: -401.018 Base-Backbone interact. energy: 3.905 local terms energy: -463.066790 where: bonds (distance) C4'-P energy: -92.611 bonds (distance) P-C4' energy: -112.322 flat angles C4'-P-C4' energy: -114.934 flat angles P-C4'-P energy: -54.546 tors. eta vs tors. theta energy: -88.655 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: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -909.695822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.695822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.695822 (E_RNA) where: Base-Base interactions energy: -525.647 where: short stacking energy: -285.857 Base-Backbone interact. energy: -0.204 local terms energy: -383.845005 where: bonds (distance) C4'-P energy: -83.694 bonds (distance) P-C4' energy: -90.822 flat angles C4'-P-C4' energy: -94.879 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -43.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -731.002621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.002621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.002621 (E_RNA) where: Base-Base interactions energy: -342.357 where: short stacking energy: -200.243 Base-Backbone interact. energy: 2.237 local terms energy: -390.882312 where: bonds (distance) C4'-P energy: -107.759 bonds (distance) P-C4' energy: -119.534 flat angles C4'-P-C4' energy: -91.693 flat angles P-C4'-P energy: -62.108 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -485.682162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.682162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.682162 (E_RNA) where: Base-Base interactions energy: -177.050 where: short stacking energy: -142.692 Base-Backbone interact. energy: -2.804 local terms energy: -305.827437 where: bonds (distance) C4'-P energy: -100.949 bonds (distance) P-C4' energy: -106.293 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: 12.792 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: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2088.944415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.944415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.944415 (E_RNA) where: Base-Base interactions energy: -1413.304 where: short stacking energy: -601.799 Base-Backbone interact. energy: -4.040 local terms energy: -671.600011 where: bonds (distance) C4'-P energy: -121.121 bonds (distance) P-C4' energy: -133.005 flat angles C4'-P-C4' energy: -142.658 flat angles P-C4'-P energy: -104.463 tors. eta vs tors. theta energy: -170.353 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: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2051.778993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.778993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.778993 (E_RNA) where: Base-Base interactions energy: -1392.598 where: short stacking energy: -568.073 Base-Backbone interact. energy: -2.105 local terms energy: -657.076918 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -133.321 flat angles P-C4'-P energy: -99.820 tors. eta vs tors. theta energy: -161.086 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: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1993.884414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.884414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.884414 (E_RNA) where: Base-Base interactions energy: -1368.198 where: short stacking energy: -561.035 Base-Backbone interact. energy: 1.758 local terms energy: -627.444115 where: bonds (distance) C4'-P energy: -118.275 bonds (distance) P-C4' energy: -122.787 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -91.034 tors. eta vs tors. theta energy: -160.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1823.888667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.888667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.888667 (E_RNA) where: Base-Base interactions energy: -1243.263 where: short stacking energy: -552.729 Base-Backbone interact. energy: -2.697 local terms energy: -577.928721 where: bonds (distance) C4'-P energy: -105.569 bonds (distance) P-C4' energy: -110.644 flat angles C4'-P-C4' energy: -129.941 flat angles P-C4'-P energy: -81.226 tors. eta vs tors. theta energy: -150.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1663.726372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.726372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.726372 (E_RNA) where: Base-Base interactions energy: -1109.295 where: short stacking energy: -458.770 Base-Backbone interact. energy: 3.038 local terms energy: -557.468728 where: bonds (distance) C4'-P energy: -109.412 bonds (distance) P-C4' energy: -138.102 flat angles C4'-P-C4' energy: -109.513 flat angles P-C4'-P energy: -84.835 tors. eta vs tors. theta energy: -115.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1446.068579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.068579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.068579 (E_RNA) where: Base-Base interactions energy: -957.882 where: short stacking energy: -418.306 Base-Backbone interact. energy: 2.462 local terms energy: -490.649025 where: bonds (distance) C4'-P energy: -100.525 bonds (distance) P-C4' energy: -109.580 flat angles C4'-P-C4' energy: -110.878 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -106.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1448.886359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.886359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.886359 (E_RNA) where: Base-Base interactions energy: -969.284 where: short stacking energy: -454.117 Base-Backbone interact. energy: 0.546 local terms energy: -480.148135 where: bonds (distance) C4'-P energy: -101.447 bonds (distance) P-C4' energy: -107.548 flat angles C4'-P-C4' energy: -106.463 flat angles P-C4'-P energy: -63.379 tors. eta vs tors. theta energy: -101.311 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: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -919.402230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.402230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.402230 (E_RNA) where: Base-Base interactions energy: -502.705 where: short stacking energy: -246.607 Base-Backbone interact. energy: -0.870 local terms energy: -415.826733 where: bonds (distance) C4'-P energy: -108.300 bonds (distance) P-C4' energy: -107.472 flat angles C4'-P-C4' energy: -105.014 flat angles P-C4'-P energy: -75.693 tors. eta vs tors. theta energy: -19.348 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: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -706.375247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.375247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.375247 (E_RNA) where: Base-Base interactions energy: -320.522 where: short stacking energy: -185.034 Base-Backbone interact. energy: 7.581 local terms energy: -393.433958 where: bonds (distance) C4'-P energy: -116.661 bonds (distance) P-C4' energy: -119.320 flat angles C4'-P-C4' energy: -90.734 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -0.263 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: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -481.406687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.406687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.406687 (E_RNA) where: Base-Base interactions energy: -188.815 where: short stacking energy: -170.919 Base-Backbone interact. energy: -1.391 local terms energy: -291.200862 where: bonds (distance) C4'-P energy: -105.778 bonds (distance) P-C4' energy: -96.505 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -37.164 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: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2082.268325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.268325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.268325 (E_RNA) where: Base-Base interactions energy: -1390.271 where: short stacking energy: -632.079 Base-Backbone interact. energy: -3.380 local terms energy: -688.617901 where: bonds (distance) C4'-P energy: -128.388 bonds (distance) P-C4' energy: -134.961 flat angles C4'-P-C4' energy: -147.758 flat angles P-C4'-P energy: -93.226 tors. eta vs tors. theta energy: -184.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2086.338331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.338331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.338331 (E_RNA) where: Base-Base interactions energy: -1444.821 where: short stacking energy: -605.629 Base-Backbone interact. energy: -8.917 local terms energy: -632.600226 where: bonds (distance) C4'-P energy: -111.563 bonds (distance) P-C4' energy: -118.272 flat angles C4'-P-C4' energy: -135.688 flat angles P-C4'-P energy: -96.427 tors. eta vs tors. theta energy: -170.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2046.835464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.835464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.835464 (E_RNA) where: Base-Base interactions energy: -1422.468 where: short stacking energy: -605.241 Base-Backbone interact. energy: -2.031 local terms energy: -622.336890 where: bonds (distance) C4'-P energy: -104.684 bonds (distance) P-C4' energy: -120.214 flat angles C4'-P-C4' energy: -145.113 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -175.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1816.477021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.477021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.477021 (E_RNA) where: Base-Base interactions energy: -1220.381 where: short stacking energy: -518.001 Base-Backbone interact. energy: -0.781 local terms energy: -595.314675 where: bonds (distance) C4'-P energy: -110.203 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -134.601 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -151.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1654.829442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.829442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.829442 (E_RNA) where: Base-Base interactions energy: -1135.601 where: short stacking energy: -496.581 Base-Backbone interact. energy: 0.551 local terms energy: -519.779368 where: bonds (distance) C4'-P energy: -106.378 bonds (distance) P-C4' energy: -96.139 flat angles C4'-P-C4' energy: -120.975 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -116.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1490.993053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.993053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.993053 (E_RNA) where: Base-Base interactions energy: -967.611 where: short stacking energy: -437.144 Base-Backbone interact. energy: -1.976 local terms energy: -521.405999 where: bonds (distance) C4'-P energy: -90.683 bonds (distance) P-C4' energy: -110.043 flat angles C4'-P-C4' energy: -125.197 flat angles P-C4'-P energy: -82.806 tors. eta vs tors. theta energy: -112.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1337.657376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.657376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.657376 (E_RNA) where: Base-Base interactions energy: -878.515 where: short stacking energy: -371.112 Base-Backbone interact. energy: -1.739 local terms energy: -457.403403 where: bonds (distance) C4'-P energy: -90.411 bonds (distance) P-C4' energy: -119.492 flat angles C4'-P-C4' energy: -106.687 flat angles P-C4'-P energy: -59.407 tors. eta vs tors. theta energy: -81.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -906.957489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.957489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.957489 (E_RNA) where: Base-Base interactions energy: -519.571 where: short stacking energy: -283.137 Base-Backbone interact. energy: -2.479 local terms energy: -384.908007 where: bonds (distance) C4'-P energy: -98.000 bonds (distance) P-C4' energy: -100.090 flat angles C4'-P-C4' energy: -102.992 flat angles P-C4'-P energy: -46.888 tors. eta vs tors. theta energy: -36.937 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: 8 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -711.132615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.132615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.132615 (E_RNA) where: Base-Base interactions energy: -343.454 where: short stacking energy: -189.602 Base-Backbone interact. energy: 1.808 local terms energy: -369.486183 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -108.120 flat angles C4'-P-C4' energy: -110.723 flat angles P-C4'-P energy: -64.403 tors. eta vs tors. theta energy: -5.626 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: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -487.014728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.014728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.014728 (E_RNA) where: Base-Base interactions energy: -180.242 where: short stacking energy: -157.242 Base-Backbone interact. energy: -1.964 local terms energy: -304.809594 where: bonds (distance) C4'-P energy: -95.824 bonds (distance) P-C4' energy: -94.064 flat angles C4'-P-C4' energy: -73.446 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: 8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2050.719082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.719082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.719082 (E_RNA) where: Base-Base interactions energy: -1381.320 where: short stacking energy: -601.402 Base-Backbone interact. energy: -2.948 local terms energy: -666.450790 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -120.249 flat angles C4'-P-C4' energy: -149.622 flat angles P-C4'-P energy: -92.403 tors. eta vs tors. theta energy: -187.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2088.444571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.444571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.444571 (E_RNA) where: Base-Base interactions energy: -1447.544 where: short stacking energy: -576.822 Base-Backbone interact. energy: 0.915 local terms energy: -641.815623 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -141.345 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -175.245 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: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1968.288377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.288377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.288377 (E_RNA) where: Base-Base interactions energy: -1335.104 where: short stacking energy: -569.489 Base-Backbone interact. energy: -2.626 local terms energy: -630.558120 where: bonds (distance) C4'-P energy: -119.025 bonds (distance) P-C4' energy: -120.458 flat angles C4'-P-C4' energy: -134.487 flat angles P-C4'-P energy: -98.862 tors. eta vs tors. theta energy: -157.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1824.681715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.681715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.681715 (E_RNA) where: Base-Base interactions energy: -1217.754 where: short stacking energy: -546.890 Base-Backbone interact. energy: -2.467 local terms energy: -604.460435 where: bonds (distance) C4'-P energy: -119.647 bonds (distance) P-C4' energy: -114.591 flat angles C4'-P-C4' energy: -126.440 flat angles P-C4'-P energy: -84.553 tors. eta vs tors. theta energy: -159.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1715.457285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.457285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.457285 (E_RNA) where: Base-Base interactions energy: -1168.458 where: short stacking energy: -493.908 Base-Backbone interact. energy: -5.447 local terms energy: -541.552298 where: bonds (distance) C4'-P energy: -112.727 bonds (distance) P-C4' energy: -116.006 flat angles C4'-P-C4' energy: -114.727 flat angles P-C4'-P energy: -73.835 tors. eta vs tors. theta energy: -124.257 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: 139 Temperature: 1.150000 Total energy: -1477.708328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.708328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.708328 (E_RNA) where: Base-Base interactions energy: -983.296 where: short stacking energy: -446.920 Base-Backbone interact. energy: -1.787 local terms energy: -492.625230 where: bonds (distance) C4'-P energy: -107.484 bonds (distance) P-C4' energy: -114.536 flat angles C4'-P-C4' energy: -105.903 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -112.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1314.157229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.157229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.157229 (E_RNA) where: Base-Base interactions energy: -841.708 where: short stacking energy: -391.779 Base-Backbone interact. energy: 2.137 local terms energy: -474.586142 where: bonds (distance) C4'-P energy: -91.550 bonds (distance) P-C4' energy: -115.384 flat angles C4'-P-C4' energy: -118.420 flat angles P-C4'-P energy: -72.526 tors. eta vs tors. theta energy: -76.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -893.486863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.486863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.486863 (E_RNA) where: Base-Base interactions energy: -505.699 where: short stacking energy: -271.630 Base-Backbone interact. energy: -1.835 local terms energy: -385.953557 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -100.736 flat angles C4'-P-C4' energy: -86.801 flat angles P-C4'-P energy: -63.882 tors. eta vs tors. theta energy: -36.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -785.557044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.557044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.557044 (E_RNA) where: Base-Base interactions energy: -411.743 where: short stacking energy: -248.341 Base-Backbone interact. energy: -0.827 local terms energy: -372.987427 where: bonds (distance) C4'-P energy: -95.535 bonds (distance) P-C4' energy: -114.776 flat angles C4'-P-C4' energy: -92.695 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -14.036 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: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -510.872971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.872971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.872971 (E_RNA) where: Base-Base interactions energy: -184.509 where: short stacking energy: -160.534 Base-Backbone interact. energy: 1.775 local terms energy: -328.138969 where: bonds (distance) C4'-P energy: -90.550 bonds (distance) P-C4' energy: -104.496 flat angles C4'-P-C4' energy: -82.532 flat angles P-C4'-P energy: -55.398 tors. eta vs tors. theta energy: 4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2167.671536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.671536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.671536 (E_RNA) where: Base-Base interactions energy: -1544.751 where: short stacking energy: -627.961 Base-Backbone interact. energy: -2.900 local terms energy: -620.020919 where: bonds (distance) C4'-P energy: -102.039 bonds (distance) P-C4' energy: -128.681 flat angles C4'-P-C4' energy: -139.159 flat angles P-C4'-P energy: -78.372 tors. eta vs tors. theta energy: -171.770 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: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2021.416805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.416805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.416805 (E_RNA) where: Base-Base interactions energy: -1346.622 where: short stacking energy: -603.935 Base-Backbone interact. energy: -1.244 local terms energy: -673.551295 where: bonds (distance) C4'-P energy: -128.823 bonds (distance) P-C4' energy: -131.729 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -99.996 tors. eta vs tors. theta energy: -176.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1937.186770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.186770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.186770 (E_RNA) where: Base-Base interactions energy: -1303.381 where: short stacking energy: -539.332 Base-Backbone interact. energy: -4.336 local terms energy: -629.469322 where: bonds (distance) C4'-P energy: -128.380 bonds (distance) P-C4' energy: -126.656 flat angles C4'-P-C4' energy: -139.288 flat angles P-C4'-P energy: -85.917 tors. eta vs tors. theta energy: -149.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1825.265850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.265850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.265850 (E_RNA) where: Base-Base interactions energy: -1237.471 where: short stacking energy: -525.268 Base-Backbone interact. energy: -2.026 local terms energy: -585.768964 where: bonds (distance) C4'-P energy: -115.442 bonds (distance) P-C4' energy: -114.704 flat angles C4'-P-C4' energy: -141.454 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -133.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1705.140202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.140202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.140202 (E_RNA) where: Base-Base interactions energy: -1124.507 where: short stacking energy: -486.380 Base-Backbone interact. energy: -2.743 local terms energy: -577.890242 where: bonds (distance) C4'-P energy: -119.726 bonds (distance) P-C4' energy: -118.779 flat angles C4'-P-C4' energy: -125.335 flat angles P-C4'-P energy: -84.693 tors. eta vs tors. theta energy: -129.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1465.508214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.508214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.508214 (E_RNA) where: Base-Base interactions energy: -965.156 where: short stacking energy: -446.568 Base-Backbone interact. energy: -1.346 local terms energy: -499.006335 where: bonds (distance) C4'-P energy: -107.543 bonds (distance) P-C4' energy: -108.078 flat angles C4'-P-C4' energy: -113.376 flat angles P-C4'-P energy: -60.563 tors. eta vs tors. theta energy: -109.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1311.581086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.581086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.581086 (E_RNA) where: Base-Base interactions energy: -841.607 where: short stacking energy: -387.682 Base-Backbone interact. energy: -2.844 local terms energy: -467.129633 where: bonds (distance) C4'-P energy: -113.183 bonds (distance) P-C4' energy: -101.470 flat angles C4'-P-C4' energy: -95.686 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -80.701 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: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -924.363208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.363208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.363208 (E_RNA) where: Base-Base interactions energy: -518.213 where: short stacking energy: -281.429 Base-Backbone interact. energy: 1.317 local terms energy: -407.467227 where: bonds (distance) C4'-P energy: -87.679 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -121.194 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: -41.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -797.761627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.761627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.761627 (E_RNA) where: Base-Base interactions energy: -420.716 where: short stacking energy: -211.688 Base-Backbone interact. energy: -2.999 local terms energy: -374.046630 where: bonds (distance) C4'-P energy: -103.628 bonds (distance) P-C4' energy: -116.685 flat angles C4'-P-C4' energy: -86.996 flat angles P-C4'-P energy: -55.316 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: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -503.154711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.154711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.154711 (E_RNA) where: Base-Base interactions energy: -187.804 where: short stacking energy: -139.102 Base-Backbone interact. energy: -0.532 local terms energy: -314.818004 where: bonds (distance) C4'-P energy: -81.744 bonds (distance) P-C4' energy: -114.363 flat angles C4'-P-C4' energy: -78.574 flat angles P-C4'-P energy: -58.987 tors. eta vs tors. theta energy: 18.849 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: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2149.505934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.505934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.505934 (E_RNA) where: Base-Base interactions energy: -1506.385 where: short stacking energy: -616.434 Base-Backbone interact. energy: -2.843 local terms energy: -640.278202 where: bonds (distance) C4'-P energy: -122.977 bonds (distance) P-C4' energy: -133.601 flat angles C4'-P-C4' energy: -129.539 flat angles P-C4'-P energy: -83.013 tors. eta vs tors. theta energy: -171.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1996.607043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.607043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.607043 (E_RNA) where: Base-Base interactions energy: -1343.179 where: short stacking energy: -580.219 Base-Backbone interact. energy: -2.232 local terms energy: -651.195736 where: bonds (distance) C4'-P energy: -123.824 bonds (distance) P-C4' energy: -125.625 flat angles C4'-P-C4' energy: -145.160 flat angles P-C4'-P energy: -89.794 tors. eta vs tors. theta energy: -166.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1945.291992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.291992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.291992 (E_RNA) where: Base-Base interactions energy: -1336.351 where: short stacking energy: -578.883 Base-Backbone interact. energy: -4.019 local terms energy: -604.921973 where: bonds (distance) C4'-P energy: -115.031 bonds (distance) P-C4' energy: -119.845 flat angles C4'-P-C4' energy: -140.431 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -151.073 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: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1833.182556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.182556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.182556 (E_RNA) where: Base-Base interactions energy: -1230.238 where: short stacking energy: -526.851 Base-Backbone interact. energy: -2.175 local terms energy: -600.769436 where: bonds (distance) C4'-P energy: -124.834 bonds (distance) P-C4' energy: -132.020 flat angles C4'-P-C4' energy: -113.928 flat angles P-C4'-P energy: -85.282 tors. eta vs tors. theta energy: -144.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1670.325050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.325050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.325050 (E_RNA) where: Base-Base interactions energy: -1110.473 where: short stacking energy: -489.568 Base-Backbone interact. energy: 2.563 local terms energy: -562.415145 where: bonds (distance) C4'-P energy: -128.683 bonds (distance) P-C4' energy: -122.115 flat angles C4'-P-C4' energy: -123.488 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -115.720 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: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1448.297337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.297337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.297337 (E_RNA) where: Base-Base interactions energy: -949.537 where: short stacking energy: -391.313 Base-Backbone interact. energy: 0.293 local terms energy: -499.052805 where: bonds (distance) C4'-P energy: -102.555 bonds (distance) P-C4' energy: -108.363 flat angles C4'-P-C4' energy: -114.958 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: -96.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1293.102176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.102176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.102176 (E_RNA) where: Base-Base interactions energy: -787.356 where: short stacking energy: -388.868 Base-Backbone interact. energy: -2.416 local terms energy: -503.330166 where: bonds (distance) C4'-P energy: -105.162 bonds (distance) P-C4' energy: -126.844 flat angles C4'-P-C4' energy: -110.238 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -85.671 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: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -905.807974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.807974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.807974 (E_RNA) where: Base-Base interactions energy: -524.543 where: short stacking energy: -270.604 Base-Backbone interact. energy: 2.879 local terms energy: -384.144535 where: bonds (distance) C4'-P energy: -101.231 bonds (distance) P-C4' energy: -120.598 flat angles C4'-P-C4' energy: -95.518 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -17.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -724.289347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.289347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.289347 (E_RNA) where: Base-Base interactions energy: -363.503 where: short stacking energy: -207.911 Base-Backbone interact. energy: -3.033 local terms energy: -357.753589 where: bonds (distance) C4'-P energy: -103.571 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -78.644 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -9.321 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: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -522.829987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.829987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.829987 (E_RNA) where: Base-Base interactions energy: -200.939 where: short stacking energy: -139.241 Base-Backbone interact. energy: 0.808 local terms energy: -322.698762 where: bonds (distance) C4'-P energy: -96.870 bonds (distance) P-C4' energy: -97.505 flat angles C4'-P-C4' energy: -98.815 flat angles P-C4'-P energy: -57.733 tors. eta vs tors. theta energy: 28.225 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: 142 Temperature: 0.900000 Total energy: -2175.331261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.331261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.331261 (E_RNA) where: Base-Base interactions energy: -1485.023 where: short stacking energy: -625.203 Base-Backbone interact. energy: -2.755 local terms energy: -687.553463 where: bonds (distance) C4'-P energy: -136.026 bonds (distance) P-C4' energy: -130.817 flat angles C4'-P-C4' energy: -145.790 flat angles P-C4'-P energy: -96.724 tors. eta vs tors. theta energy: -178.197 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: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2030.526825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.526825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.526825 (E_RNA) where: Base-Base interactions energy: -1385.185 where: short stacking energy: -584.797 Base-Backbone interact. energy: 0.593 local terms energy: -645.934692 where: bonds (distance) C4'-P energy: -126.388 bonds (distance) P-C4' energy: -117.877 flat angles C4'-P-C4' energy: -139.252 flat angles P-C4'-P energy: -88.046 tors. eta vs tors. theta energy: -174.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1916.471725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.471725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.471725 (E_RNA) where: Base-Base interactions energy: -1323.044 where: short stacking energy: -547.548 Base-Backbone interact. energy: -3.278 local terms energy: -590.150271 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -129.441 flat angles C4'-P-C4' energy: -131.514 flat angles P-C4'-P energy: -75.497 tors. eta vs tors. theta energy: -141.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1812.451931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.451931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.451931 (E_RNA) where: Base-Base interactions energy: -1227.199 where: short stacking energy: -515.760 Base-Backbone interact. energy: -3.483 local terms energy: -581.770145 where: bonds (distance) C4'-P energy: -107.447 bonds (distance) P-C4' energy: -116.762 flat angles C4'-P-C4' energy: -136.978 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -137.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1649.665514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.665514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.665514 (E_RNA) where: Base-Base interactions energy: -1127.602 where: short stacking energy: -501.144 Base-Backbone interact. energy: -1.543 local terms energy: -520.520245 where: bonds (distance) C4'-P energy: -102.955 bonds (distance) P-C4' energy: -106.362 flat angles C4'-P-C4' energy: -125.501 flat angles P-C4'-P energy: -68.595 tors. eta vs tors. theta energy: -117.107 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: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1497.458817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.458817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.458817 (E_RNA) where: Base-Base interactions energy: -977.763 where: short stacking energy: -441.687 Base-Backbone interact. energy: -2.907 local terms energy: -516.789269 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -112.645 flat angles C4'-P-C4' energy: -108.786 flat angles P-C4'-P energy: -73.742 tors. eta vs tors. theta energy: -106.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1250.216868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.216868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.216868 (E_RNA) where: Base-Base interactions energy: -795.847 where: short stacking energy: -359.950 Base-Backbone interact. energy: -2.194 local terms energy: -452.175843 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -107.624 flat angles C4'-P-C4' energy: -121.912 flat angles P-C4'-P energy: -52.454 tors. eta vs tors. theta energy: -72.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -909.495414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.495414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.495414 (E_RNA) where: Base-Base interactions energy: -524.312 where: short stacking energy: -281.002 Base-Backbone interact. energy: 3.123 local terms energy: -388.306338 where: bonds (distance) C4'-P energy: -100.178 bonds (distance) P-C4' energy: -120.739 flat angles C4'-P-C4' energy: -97.576 flat angles P-C4'-P energy: -35.557 tors. eta vs tors. theta energy: -34.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -655.274538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.274538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.274538 (E_RNA) where: Base-Base interactions energy: -274.826 where: short stacking energy: -180.090 Base-Backbone interact. energy: -3.402 local terms energy: -377.045621 where: bonds (distance) C4'-P energy: -102.605 bonds (distance) P-C4' energy: -121.298 flat angles C4'-P-C4' energy: -90.043 flat angles P-C4'-P energy: -58.358 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -580.678851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.678851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.678851 (E_RNA) where: Base-Base interactions energy: -226.751 where: short stacking energy: -165.639 Base-Backbone interact. energy: -2.924 local terms energy: -351.004309 where: bonds (distance) C4'-P energy: -81.443 bonds (distance) P-C4' energy: -107.021 flat angles C4'-P-C4' energy: -102.542 flat angles P-C4'-P energy: -60.675 tors. eta vs tors. theta energy: 0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2139.671793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.671793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.671793 (E_RNA) where: Base-Base interactions energy: -1463.790 where: short stacking energy: -608.760 Base-Backbone interact. energy: -3.997 local terms energy: -671.885459 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -126.916 flat angles C4'-P-C4' energy: -143.739 flat angles P-C4'-P energy: -92.858 tors. eta vs tors. theta energy: -173.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2028.939977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.939977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.939977 (E_RNA) where: Base-Base interactions energy: -1361.533 where: short stacking energy: -618.593 Base-Backbone interact. energy: 0.688 local terms energy: -668.095146 where: bonds (distance) C4'-P energy: -120.396 bonds (distance) P-C4' energy: -122.720 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -101.217 tors. eta vs tors. theta energy: -184.140 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: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1943.939739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.939739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.939739 (E_RNA) where: Base-Base interactions energy: -1352.257 where: short stacking energy: -587.117 Base-Backbone interact. energy: 1.942 local terms energy: -593.625192 where: bonds (distance) C4'-P energy: -95.420 bonds (distance) P-C4' energy: -129.528 flat angles C4'-P-C4' energy: -135.876 flat angles P-C4'-P energy: -80.119 tors. eta vs tors. theta energy: -152.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1853.743884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.743884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.743884 (E_RNA) where: Base-Base interactions energy: -1256.809 where: short stacking energy: -523.846 Base-Backbone interact. energy: -4.932 local terms energy: -592.002704 where: bonds (distance) C4'-P energy: -126.705 bonds (distance) P-C4' energy: -110.366 flat angles C4'-P-C4' energy: -129.111 flat angles P-C4'-P energy: -76.191 tors. eta vs tors. theta energy: -149.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1736.221182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.221182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.221182 (E_RNA) where: Base-Base interactions energy: -1173.833 where: short stacking energy: -500.203 Base-Backbone interact. energy: -2.646 local terms energy: -559.742839 where: bonds (distance) C4'-P energy: -106.558 bonds (distance) P-C4' energy: -122.163 flat angles C4'-P-C4' energy: -128.221 flat angles P-C4'-P energy: -68.915 tors. eta vs tors. theta energy: -133.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1507.725103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.725103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.725103 (E_RNA) where: Base-Base interactions energy: -958.783 where: short stacking energy: -429.387 Base-Backbone interact. energy: -4.038 local terms energy: -544.903931 where: bonds (distance) C4'-P energy: -124.403 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -129.409 flat angles P-C4'-P energy: -68.973 tors. eta vs tors. theta energy: -93.740 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: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1289.414864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.414864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.414864 (E_RNA) where: Base-Base interactions energy: -787.793 where: short stacking energy: -374.386 Base-Backbone interact. energy: -2.145 local terms energy: -499.476166 where: bonds (distance) C4'-P energy: -112.098 bonds (distance) P-C4' energy: -102.365 flat angles C4'-P-C4' energy: -111.474 flat angles P-C4'-P energy: -94.118 tors. eta vs tors. theta energy: -79.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -896.478725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.478725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.478725 (E_RNA) where: Base-Base interactions energy: -481.406 where: short stacking energy: -261.822 Base-Backbone interact. energy: 0.907 local terms energy: -415.980069 where: bonds (distance) C4'-P energy: -103.417 bonds (distance) P-C4' energy: -127.795 flat angles C4'-P-C4' energy: -99.062 flat angles P-C4'-P energy: -57.790 tors. eta vs tors. theta energy: -27.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -646.988985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.988985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.988985 (E_RNA) where: Base-Base interactions energy: -309.885 where: short stacking energy: -208.077 Base-Backbone interact. energy: 1.946 local terms energy: -339.050407 where: bonds (distance) C4'-P energy: -92.649 bonds (distance) P-C4' energy: -93.111 flat angles C4'-P-C4' energy: -100.464 flat angles P-C4'-P energy: -54.063 tors. eta vs tors. theta energy: 1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -520.171599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.171599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.171599 (E_RNA) where: Base-Base interactions energy: -201.296 where: short stacking energy: -103.603 Base-Backbone interact. energy: 0.177 local terms energy: -319.052665 where: bonds (distance) C4'-P energy: -99.131 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -70.912 flat angles P-C4'-P energy: -55.531 tors. eta vs tors. theta energy: 24.109 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: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2127.845274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.845274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.845274 (E_RNA) where: Base-Base interactions energy: -1482.431 where: short stacking energy: -612.425 Base-Backbone interact. energy: -2.048 local terms energy: -643.365652 where: bonds (distance) C4'-P energy: -117.866 bonds (distance) P-C4' energy: -123.983 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -91.635 tors. eta vs tors. theta energy: -179.290 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: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2021.348551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.348551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.348551 (E_RNA) where: Base-Base interactions energy: -1365.879 where: short stacking energy: -608.543 Base-Backbone interact. energy: 1.011 local terms energy: -656.480755 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -130.213 flat angles C4'-P-C4' energy: -140.748 flat angles P-C4'-P energy: -101.581 tors. eta vs tors. theta energy: -172.469 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: 3, replica: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1915.424693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.424693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.424693 (E_RNA) where: Base-Base interactions energy: -1330.255 where: short stacking energy: -565.255 Base-Backbone interact. energy: -4.625 local terms energy: -580.544765 where: bonds (distance) C4'-P energy: -97.422 bonds (distance) P-C4' energy: -118.915 flat angles C4'-P-C4' energy: -126.687 flat angles P-C4'-P energy: -91.858 tors. eta vs tors. theta energy: -145.662 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: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1829.587198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.587198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.587198 (E_RNA) where: Base-Base interactions energy: -1251.447 where: short stacking energy: -541.678 Base-Backbone interact. energy: -1.311 local terms energy: -576.829336 where: bonds (distance) C4'-P energy: -115.083 bonds (distance) P-C4' energy: -126.016 flat angles C4'-P-C4' energy: -123.198 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -143.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1685.009933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.009933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.009933 (E_RNA) where: Base-Base interactions energy: -1148.437 where: short stacking energy: -528.027 Base-Backbone interact. energy: -2.422 local terms energy: -534.151259 where: bonds (distance) C4'-P energy: -93.033 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -125.893 flat angles P-C4'-P energy: -72.365 tors. eta vs tors. theta energy: -124.623 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: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1502.629410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.629410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.629410 (E_RNA) where: Base-Base interactions energy: -1005.220 where: short stacking energy: -426.536 Base-Backbone interact. energy: -3.013 local terms energy: -494.396555 where: bonds (distance) C4'-P energy: -104.176 bonds (distance) P-C4' energy: -118.925 flat angles C4'-P-C4' energy: -103.280 flat angles P-C4'-P energy: -72.383 tors. eta vs tors. theta energy: -95.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1278.482893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.482893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.482893 (E_RNA) where: Base-Base interactions energy: -802.327 where: short stacking energy: -395.956 Base-Backbone interact. energy: 1.181 local terms energy: -477.336648 where: bonds (distance) C4'-P energy: -112.272 bonds (distance) P-C4' energy: -107.356 flat angles C4'-P-C4' energy: -101.920 flat angles P-C4'-P energy: -74.420 tors. eta vs tors. theta energy: -81.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -835.326945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.326945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.326945 (E_RNA) where: Base-Base interactions energy: -459.443 where: short stacking energy: -229.361 Base-Backbone interact. energy: 1.679 local terms energy: -377.562968 where: bonds (distance) C4'-P energy: -102.920 bonds (distance) P-C4' energy: -115.053 flat angles C4'-P-C4' energy: -84.793 flat angles P-C4'-P energy: -65.185 tors. eta vs tors. theta energy: -9.611 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: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -650.567706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.567706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.567706 (E_RNA) where: Base-Base interactions energy: -327.655 where: short stacking energy: -201.558 Base-Backbone interact. energy: 5.156 local terms energy: -328.068483 where: bonds (distance) C4'-P energy: -94.732 bonds (distance) P-C4' energy: -109.407 flat angles C4'-P-C4' energy: -76.252 flat angles P-C4'-P energy: -49.250 tors. eta vs tors. theta energy: 1.573 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: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -506.096830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.096830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.096830 (E_RNA) where: Base-Base interactions energy: -183.857 where: short stacking energy: -147.099 Base-Backbone interact. energy: -3.214 local terms energy: -319.026076 where: bonds (distance) C4'-P energy: -108.810 bonds (distance) P-C4' energy: -117.607 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -26.237 tors. eta vs tors. theta energy: 5.423 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: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2142.767589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.767589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.767589 (E_RNA) where: Base-Base interactions energy: -1489.034 where: short stacking energy: -612.573 Base-Backbone interact. energy: -1.999 local terms energy: -651.734170 where: bonds (distance) C4'-P energy: -116.898 bonds (distance) P-C4' energy: -124.178 flat angles C4'-P-C4' energy: -143.690 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -178.633 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: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2020.102713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.102713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.102713 (E_RNA) where: Base-Base interactions energy: -1370.209 where: short stacking energy: -602.645 Base-Backbone interact. energy: -2.246 local terms energy: -647.648077 where: bonds (distance) C4'-P energy: -107.949 bonds (distance) P-C4' energy: -133.982 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -97.736 tors. eta vs tors. theta energy: -163.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1980.170841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.170841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.170841 (E_RNA) where: Base-Base interactions energy: -1319.567 where: short stacking energy: -573.990 Base-Backbone interact. energy: -1.797 local terms energy: -658.806925 where: bonds (distance) C4'-P energy: -121.870 bonds (distance) P-C4' energy: -123.393 flat angles C4'-P-C4' energy: -148.989 flat angles P-C4'-P energy: -95.212 tors. eta vs tors. theta energy: -169.343 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: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1820.647402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.647402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.647402 (E_RNA) where: Base-Base interactions energy: -1250.042 where: short stacking energy: -537.915 Base-Backbone interact. energy: -3.828 local terms energy: -566.777238 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -113.564 flat angles C4'-P-C4' energy: -126.010 flat angles P-C4'-P energy: -78.055 tors. eta vs tors. theta energy: -139.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1675.674535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.674535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.674535 (E_RNA) where: Base-Base interactions energy: -1138.483 where: short stacking energy: -506.926 Base-Backbone interact. energy: -4.503 local terms energy: -532.688905 where: bonds (distance) C4'-P energy: -115.825 bonds (distance) P-C4' energy: -88.877 flat angles C4'-P-C4' energy: -124.205 flat angles P-C4'-P energy: -81.559 tors. eta vs tors. theta energy: -122.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1498.687125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.687125 (E_RNA) where: Base-Base interactions energy: -1007.305 where: short stacking energy: -438.518 Base-Backbone interact. energy: -4.450 local terms energy: -486.932671 where: bonds (distance) C4'-P energy: -104.096 bonds (distance) P-C4' energy: -94.000 flat angles C4'-P-C4' energy: -127.654 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -101.485 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: 145 Temperature: 1.200000 Total energy: -1304.867791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.867791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.867791 (E_RNA) where: Base-Base interactions energy: -826.679 where: short stacking energy: -407.643 Base-Backbone interact. energy: 1.569 local terms energy: -479.757611 where: bonds (distance) C4'-P energy: -108.991 bonds (distance) P-C4' energy: -113.719 flat angles C4'-P-C4' energy: -103.377 flat angles P-C4'-P energy: -70.563 tors. eta vs tors. theta energy: -83.108 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: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -880.982660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.982660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.982660 (E_RNA) where: Base-Base interactions energy: -491.011 where: short stacking energy: -267.885 Base-Backbone interact. energy: -1.552 local terms energy: -388.419077 where: bonds (distance) C4'-P energy: -103.967 bonds (distance) P-C4' energy: -116.050 flat angles C4'-P-C4' energy: -102.369 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -677.447553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.447553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.447553 (E_RNA) where: Base-Base interactions energy: -300.536 where: short stacking energy: -165.426 Base-Backbone interact. energy: -1.548 local terms energy: -375.364175 where: bonds (distance) C4'-P energy: -104.246 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -91.507 flat angles P-C4'-P energy: -47.744 tors. eta vs tors. theta energy: -10.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -522.750304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.750304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.750304 (E_RNA) where: Base-Base interactions energy: -209.369 where: short stacking energy: -163.706 Base-Backbone interact. energy: 1.572 local terms energy: -314.953464 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -110.362 flat angles C4'-P-C4' energy: -91.102 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: 36.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2167.401498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.401498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.401498 (E_RNA) where: Base-Base interactions energy: -1484.141 where: short stacking energy: -639.599 Base-Backbone interact. energy: 3.425 local terms energy: -686.684719 where: bonds (distance) C4'-P energy: -128.521 bonds (distance) P-C4' energy: -124.133 flat angles C4'-P-C4' energy: -148.606 flat angles P-C4'-P energy: -96.354 tors. eta vs tors. theta energy: -189.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2056.140870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.140870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.140870 (E_RNA) where: Base-Base interactions energy: -1410.725 where: short stacking energy: -604.728 Base-Backbone interact. energy: -6.379 local terms energy: -639.036663 where: bonds (distance) C4'-P energy: -124.134 bonds (distance) P-C4' energy: -120.328 flat angles C4'-P-C4' energy: -141.536 flat angles P-C4'-P energy: -91.179 tors. eta vs tors. theta energy: -161.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1982.940584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.940584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.940584 (E_RNA) where: Base-Base interactions energy: -1340.365 where: short stacking energy: -600.120 Base-Backbone interact. energy: -2.491 local terms energy: -640.084785 where: bonds (distance) C4'-P energy: -107.427 bonds (distance) P-C4' energy: -116.137 flat angles C4'-P-C4' energy: -141.041 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -179.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1837.358660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.358660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.358660 (E_RNA) where: Base-Base interactions energy: -1244.452 where: short stacking energy: -537.039 Base-Backbone interact. energy: -0.415 local terms energy: -592.490815 where: bonds (distance) C4'-P energy: -105.494 bonds (distance) P-C4' energy: -121.686 flat angles C4'-P-C4' energy: -119.770 flat angles P-C4'-P energy: -94.351 tors. eta vs tors. theta energy: -151.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1695.766711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.766711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.766711 (E_RNA) where: Base-Base interactions energy: -1144.873 where: short stacking energy: -487.410 Base-Backbone interact. energy: -4.431 local terms energy: -546.462772 where: bonds (distance) C4'-P energy: -95.104 bonds (distance) P-C4' energy: -109.817 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -79.010 tors. eta vs tors. theta energy: -139.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1483.698600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.698600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.698600 (E_RNA) where: Base-Base interactions energy: -969.011 where: short stacking energy: -402.522 Base-Backbone interact. energy: -0.716 local terms energy: -513.971589 where: bonds (distance) C4'-P energy: -111.133 bonds (distance) P-C4' energy: -120.101 flat angles C4'-P-C4' energy: -124.088 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -88.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1293.073880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.073880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.073880 (E_RNA) where: Base-Base interactions energy: -828.313 where: short stacking energy: -402.609 Base-Backbone interact. energy: -0.810 local terms energy: -463.950354 where: bonds (distance) C4'-P energy: -97.772 bonds (distance) P-C4' energy: -107.038 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -88.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -893.537235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.537235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.537235 (E_RNA) where: Base-Base interactions energy: -528.949 where: short stacking energy: -268.738 Base-Backbone interact. energy: -2.785 local terms energy: -361.802777 where: bonds (distance) C4'-P energy: -97.039 bonds (distance) P-C4' energy: -97.507 flat angles C4'-P-C4' energy: -103.096 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -15.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -708.276089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.276089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.276089 (E_RNA) where: Base-Base interactions energy: -344.051 where: short stacking energy: -203.369 Base-Backbone interact. energy: -2.179 local terms energy: -362.045809 where: bonds (distance) C4'-P energy: -97.975 bonds (distance) P-C4' energy: -91.119 flat angles C4'-P-C4' energy: -110.812 flat angles P-C4'-P energy: -60.663 tors. eta vs tors. theta energy: -1.476 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: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -533.879943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.879943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.879943 (E_RNA) where: Base-Base interactions energy: -226.840 where: short stacking energy: -141.694 Base-Backbone interact. energy: 1.862 local terms energy: -308.902503 where: bonds (distance) C4'-P energy: -92.740 bonds (distance) P-C4' energy: -127.294 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -41.574 tors. eta vs tors. theta energy: 28.812 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: 147 Temperature: 0.900000 Total energy: -2159.435769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.435769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.435769 (E_RNA) where: Base-Base interactions energy: -1506.039 where: short stacking energy: -621.720 Base-Backbone interact. energy: -1.960 local terms energy: -651.437384 where: bonds (distance) C4'-P energy: -122.619 bonds (distance) P-C4' energy: -129.125 flat angles C4'-P-C4' energy: -131.455 flat angles P-C4'-P energy: -89.275 tors. eta vs tors. theta energy: -178.963 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2040.016118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.016118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.016118 (E_RNA) where: Base-Base interactions energy: -1394.973 where: short stacking energy: -581.990 Base-Backbone interact. energy: -2.209 local terms energy: -642.834028 where: bonds (distance) C4'-P energy: -117.700 bonds (distance) P-C4' energy: -133.636 flat angles C4'-P-C4' energy: -124.931 flat angles P-C4'-P energy: -96.507 tors. eta vs tors. theta energy: -170.061 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: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1922.486999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.486999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.486999 (E_RNA) where: Base-Base interactions energy: -1319.229 where: short stacking energy: -567.976 Base-Backbone interact. energy: -2.998 local terms energy: -600.260359 where: bonds (distance) C4'-P energy: -115.815 bonds (distance) P-C4' energy: -119.920 flat angles C4'-P-C4' energy: -122.028 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -160.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1826.686026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.686026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.686026 (E_RNA) where: Base-Base interactions energy: -1232.142 where: short stacking energy: -530.567 Base-Backbone interact. energy: -2.062 local terms energy: -592.481927 where: bonds (distance) C4'-P energy: -111.700 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -123.367 flat angles P-C4'-P energy: -81.235 tors. eta vs tors. theta energy: -151.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1686.807266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.807266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.807266 (E_RNA) where: Base-Base interactions energy: -1136.243 where: short stacking energy: -483.595 Base-Backbone interact. energy: 0.161 local terms energy: -550.724628 where: bonds (distance) C4'-P energy: -98.441 bonds (distance) P-C4' energy: -124.610 flat angles C4'-P-C4' energy: -124.187 flat angles P-C4'-P energy: -76.087 tors. eta vs tors. theta energy: -127.399 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: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1527.597337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.597337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.597337 (E_RNA) where: Base-Base interactions energy: -1043.191 where: short stacking energy: -460.825 Base-Backbone interact. energy: -1.040 local terms energy: -483.366675 where: bonds (distance) C4'-P energy: -76.822 bonds (distance) P-C4' energy: -114.373 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -79.611 tors. eta vs tors. theta energy: -114.033 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: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1260.766539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.766539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.766539 (E_RNA) where: Base-Base interactions energy: -755.853 where: short stacking energy: -388.441 Base-Backbone interact. energy: -1.045 local terms energy: -503.868212 where: bonds (distance) C4'-P energy: -100.788 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -107.882 flat angles P-C4'-P energy: -76.754 tors. eta vs tors. theta energy: -93.017 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: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -901.322481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.322481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.322481 (E_RNA) where: Base-Base interactions energy: -486.185 where: short stacking energy: -280.235 Base-Backbone interact. energy: -2.710 local terms energy: -412.427873 where: bonds (distance) C4'-P energy: -107.351 bonds (distance) P-C4' energy: -121.709 flat angles C4'-P-C4' energy: -93.086 flat angles P-C4'-P energy: -56.541 tors. eta vs tors. theta energy: -33.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -733.015034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.015034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.015034 (E_RNA) where: Base-Base interactions energy: -360.377 where: short stacking energy: -197.602 Base-Backbone interact. energy: 1.399 local terms energy: -374.037218 where: bonds (distance) C4'-P energy: -103.726 bonds (distance) P-C4' energy: -109.750 flat angles C4'-P-C4' energy: -96.723 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -557.098664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.098664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.098664 (E_RNA) where: Base-Base interactions energy: -221.562 where: short stacking energy: -151.325 Base-Backbone interact. energy: -1.732 local terms energy: -333.804839 where: bonds (distance) C4'-P energy: -104.065 bonds (distance) P-C4' energy: -99.137 flat angles C4'-P-C4' energy: -86.866 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: 10.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2150.075054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.075054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.075054 (E_RNA) where: Base-Base interactions energy: -1480.370 where: short stacking energy: -604.839 Base-Backbone interact. energy: -8.266 local terms energy: -661.439148 where: bonds (distance) C4'-P energy: -117.933 bonds (distance) P-C4' energy: -119.697 flat angles C4'-P-C4' energy: -147.771 flat angles P-C4'-P energy: -96.440 tors. eta vs tors. theta energy: -179.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2045.702973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.702973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.702973 (E_RNA) where: Base-Base interactions energy: -1419.707 where: short stacking energy: -606.411 Base-Backbone interact. energy: -4.847 local terms energy: -621.149536 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -107.724 flat angles C4'-P-C4' energy: -140.196 flat angles P-C4'-P energy: -92.673 tors. eta vs tors. theta energy: -160.457 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: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1972.133987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.133987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.133987 (E_RNA) where: Base-Base interactions energy: -1328.158 where: short stacking energy: -597.344 Base-Backbone interact. energy: -1.276 local terms energy: -642.700363 where: bonds (distance) C4'-P energy: -123.452 bonds (distance) P-C4' energy: -125.254 flat angles C4'-P-C4' energy: -133.234 flat angles P-C4'-P energy: -90.492 tors. eta vs tors. theta energy: -170.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1804.246843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.246843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.246843 (E_RNA) where: Base-Base interactions energy: -1236.214 where: short stacking energy: -513.524 Base-Backbone interact. energy: -3.106 local terms energy: -564.926037 where: bonds (distance) C4'-P energy: -119.498 bonds (distance) P-C4' energy: -113.575 flat angles C4'-P-C4' energy: -123.268 flat angles P-C4'-P energy: -75.035 tors. eta vs tors. theta energy: -133.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1682.624133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.624133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.624133 (E_RNA) where: Base-Base interactions energy: -1134.749 where: short stacking energy: -493.335 Base-Backbone interact. energy: -1.100 local terms energy: -546.775901 where: bonds (distance) C4'-P energy: -106.915 bonds (distance) P-C4' energy: -134.309 flat angles C4'-P-C4' energy: -121.844 flat angles P-C4'-P energy: -64.459 tors. eta vs tors. theta energy: -119.249 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: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1471.074449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.074449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.074449 (E_RNA) where: Base-Base interactions energy: -984.765 where: short stacking energy: -446.914 Base-Backbone interact. energy: 0.028 local terms energy: -486.336566 where: bonds (distance) C4'-P energy: -90.705 bonds (distance) P-C4' energy: -122.947 flat angles C4'-P-C4' energy: -116.000 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: -95.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1202.919671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.919671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.919671 (E_RNA) where: Base-Base interactions energy: -741.881 where: short stacking energy: -342.787 Base-Backbone interact. energy: 0.831 local terms energy: -461.870118 where: bonds (distance) C4'-P energy: -102.866 bonds (distance) P-C4' energy: -106.926 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -64.870 tors. eta vs tors. theta energy: -74.169 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: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -874.023724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.023724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.023724 (E_RNA) where: Base-Base interactions energy: -464.337 where: short stacking energy: -253.857 Base-Backbone interact. energy: 1.087 local terms energy: -410.774322 where: bonds (distance) C4'-P energy: -113.392 bonds (distance) P-C4' energy: -110.627 flat angles C4'-P-C4' energy: -87.610 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: -34.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -776.010306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.010306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.010306 (E_RNA) where: Base-Base interactions energy: -378.214 where: short stacking energy: -231.907 Base-Backbone interact. energy: -4.002 local terms energy: -393.794852 where: bonds (distance) C4'-P energy: -99.626 bonds (distance) P-C4' energy: -123.219 flat angles C4'-P-C4' energy: -94.553 flat angles P-C4'-P energy: -47.319 tors. eta vs tors. theta energy: -29.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -521.371654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.371654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.371654 (E_RNA) where: Base-Base interactions energy: -218.174 where: short stacking energy: -142.053 Base-Backbone interact. energy: 1.097 local terms energy: -304.294714 where: bonds (distance) C4'-P energy: -100.976 bonds (distance) P-C4' energy: -111.271 flat angles C4'-P-C4' energy: -72.845 flat angles P-C4'-P energy: -35.232 tors. eta vs tors. theta energy: 16.029 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: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2138.356281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.356281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.356281 (E_RNA) where: Base-Base interactions energy: -1490.321 where: short stacking energy: -603.555 Base-Backbone interact. energy: 0.394 local terms energy: -648.429396 where: bonds (distance) C4'-P energy: -119.275 bonds (distance) P-C4' energy: -126.848 flat angles C4'-P-C4' energy: -142.164 flat angles P-C4'-P energy: -91.516 tors. eta vs tors. theta energy: -168.625 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2055.339141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.339141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.339141 (E_RNA) where: Base-Base interactions energy: -1414.209 where: short stacking energy: -605.221 Base-Backbone interact. energy: -2.125 local terms energy: -639.005069 where: bonds (distance) C4'-P energy: -121.773 bonds (distance) P-C4' energy: -118.607 flat angles C4'-P-C4' energy: -147.331 flat angles P-C4'-P energy: -90.462 tors. eta vs tors. theta energy: -160.832 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: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1961.371734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.371734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.371734 (E_RNA) where: Base-Base interactions energy: -1331.851 where: short stacking energy: -567.028 Base-Backbone interact. energy: -2.309 local terms energy: -627.212129 where: bonds (distance) C4'-P energy: -115.096 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -133.317 flat angles P-C4'-P energy: -96.234 tors. eta vs tors. theta energy: -167.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1790.206534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.206534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.206534 (E_RNA) where: Base-Base interactions energy: -1194.505 where: short stacking energy: -502.704 Base-Backbone interact. energy: -0.141 local terms energy: -595.560466 where: bonds (distance) C4'-P energy: -124.086 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -133.187 flat angles P-C4'-P energy: -77.050 tors. eta vs tors. theta energy: -137.257 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: 149 Temperature: 1.100000 Total energy: -1691.553944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.553944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.553944 (E_RNA) where: Base-Base interactions energy: -1150.042 where: short stacking energy: -528.310 Base-Backbone interact. energy: -4.433 local terms energy: -537.079573 where: bonds (distance) C4'-P energy: -100.428 bonds (distance) P-C4' energy: -110.359 flat angles C4'-P-C4' energy: -121.064 flat angles P-C4'-P energy: -71.067 tors. eta vs tors. theta energy: -134.162 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: 149 Temperature: 1.150000 Total energy: -1452.951987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.951987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.951987 (E_RNA) where: Base-Base interactions energy: -959.066 where: short stacking energy: -434.817 Base-Backbone interact. energy: -1.667 local terms energy: -492.219485 where: bonds (distance) C4'-P energy: -89.974 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -115.928 flat angles P-C4'-P energy: -74.697 tors. eta vs tors. theta energy: -96.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1291.388357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.388357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.388357 (E_RNA) where: Base-Base interactions energy: -832.096 where: short stacking energy: -394.771 Base-Backbone interact. energy: 2.897 local terms energy: -462.189204 where: bonds (distance) C4'-P energy: -111.636 bonds (distance) P-C4' energy: -112.454 flat angles C4'-P-C4' energy: -99.801 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -78.779 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: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -888.642364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.642364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.642364 (E_RNA) where: Base-Base interactions energy: -488.387 where: short stacking energy: -249.593 Base-Backbone interact. energy: 0.875 local terms energy: -401.129673 where: bonds (distance) C4'-P energy: -104.856 bonds (distance) P-C4' energy: -83.958 flat angles C4'-P-C4' energy: -118.820 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -18.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -731.480489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.480489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.480489 (E_RNA) where: Base-Base interactions energy: -388.832 where: short stacking energy: -219.571 Base-Backbone interact. energy: 4.426 local terms energy: -347.074540 where: bonds (distance) C4'-P energy: -103.734 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -75.096 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -18.030 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: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -491.713527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.713527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.713527 (E_RNA) where: Base-Base interactions energy: -198.431 where: short stacking energy: -139.723 Base-Backbone interact. energy: 8.684 local terms energy: -301.966470 where: bonds (distance) C4'-P energy: -79.943 bonds (distance) P-C4' energy: -112.152 flat angles C4'-P-C4' energy: -88.699 flat angles P-C4'-P energy: -46.596 tors. eta vs tors. theta energy: 25.423 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: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2163.857450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.857450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.857450 (E_RNA) where: Base-Base interactions energy: -1504.420 where: short stacking energy: -613.458 Base-Backbone interact. energy: -0.792 local terms energy: -658.646159 where: bonds (distance) C4'-P energy: -120.492 bonds (distance) P-C4' energy: -125.673 flat angles C4'-P-C4' energy: -140.336 flat angles P-C4'-P energy: -93.553 tors. eta vs tors. theta energy: -178.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2051.520517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.520517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.520517 (E_RNA) where: Base-Base interactions energy: -1444.547 where: short stacking energy: -606.430 Base-Backbone interact. energy: -5.551 local terms energy: -601.422275 where: bonds (distance) C4'-P energy: -113.391 bonds (distance) P-C4' energy: -110.663 flat angles C4'-P-C4' energy: -128.440 flat angles P-C4'-P energy: -84.972 tors. eta vs tors. theta energy: -163.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1961.065247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.065247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.065247 (E_RNA) where: Base-Base interactions energy: -1322.763 where: short stacking energy: -591.409 Base-Backbone interact. energy: -0.718 local terms energy: -637.584370 where: bonds (distance) C4'-P energy: -118.908 bonds (distance) P-C4' energy: -121.201 flat angles C4'-P-C4' energy: -142.819 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -167.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1803.381977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.381977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.381977 (E_RNA) where: Base-Base interactions energy: -1225.017 where: short stacking energy: -527.372 Base-Backbone interact. energy: 1.772 local terms energy: -580.136980 where: bonds (distance) C4'-P energy: -110.431 bonds (distance) P-C4' energy: -110.405 flat angles C4'-P-C4' energy: -129.070 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -152.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1631.226137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.226137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.226137 (E_RNA) where: Base-Base interactions energy: -1116.186 where: short stacking energy: -476.463 Base-Backbone interact. energy: -1.742 local terms energy: -513.298372 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -102.827 flat angles C4'-P-C4' energy: -115.994 flat angles P-C4'-P energy: -64.357 tors. eta vs tors. theta energy: -111.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1461.382591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.382591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.382591 (E_RNA) where: Base-Base interactions energy: -965.569 where: short stacking energy: -433.359 Base-Backbone interact. energy: -2.539 local terms energy: -493.275132 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -99.921 flat angles C4'-P-C4' energy: -123.237 flat angles P-C4'-P energy: -70.682 tors. eta vs tors. theta energy: -96.161 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: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1311.601657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.601657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.601657 (E_RNA) where: Base-Base interactions energy: -855.157 where: short stacking energy: -401.204 Base-Backbone interact. energy: 0.522 local terms energy: -456.967244 where: bonds (distance) C4'-P energy: -102.780 bonds (distance) P-C4' energy: -86.673 flat angles C4'-P-C4' energy: -109.404 flat angles P-C4'-P energy: -65.977 tors. eta vs tors. theta energy: -92.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -949.562832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.562832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.562832 (E_RNA) where: Base-Base interactions energy: -543.936 where: short stacking energy: -298.790 Base-Backbone interact. energy: 2.440 local terms energy: -408.066547 where: bonds (distance) C4'-P energy: -116.965 bonds (distance) P-C4' energy: -107.723 flat angles C4'-P-C4' energy: -89.173 flat angles P-C4'-P energy: -62.686 tors. eta vs tors. theta energy: -31.520 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: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -766.388626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.388626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.388626 (E_RNA) where: Base-Base interactions energy: -394.708 where: short stacking energy: -208.892 Base-Backbone interact. energy: 2.831 local terms energy: -374.512184 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -112.534 flat angles C4'-P-C4' energy: -89.355 flat angles P-C4'-P energy: -58.617 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -495.643160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.643160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.643160 (E_RNA) where: Base-Base interactions energy: -199.859 where: short stacking energy: -169.044 Base-Backbone interact. energy: 1.183 local terms energy: -296.967396 where: bonds (distance) C4'-P energy: -86.143 bonds (distance) P-C4' energy: -80.206 flat angles C4'-P-C4' energy: -93.870 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: 17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2143.188292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.188292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.188292 (E_RNA) where: Base-Base interactions energy: -1478.890 where: short stacking energy: -623.489 Base-Backbone interact. energy: -2.735 local terms energy: -661.563014 where: bonds (distance) C4'-P energy: -114.834 bonds (distance) P-C4' energy: -131.004 flat angles C4'-P-C4' energy: -140.238 flat angles P-C4'-P energy: -95.430 tors. eta vs tors. theta energy: -180.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2048.815257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.815257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.815257 (E_RNA) where: Base-Base interactions energy: -1423.830 where: short stacking energy: -602.050 Base-Backbone interact. energy: -4.350 local terms energy: -620.634752 where: bonds (distance) C4'-P energy: -131.266 bonds (distance) P-C4' energy: -101.088 flat angles C4'-P-C4' energy: -140.748 flat angles P-C4'-P energy: -81.112 tors. eta vs tors. theta energy: -166.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1950.699453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.699453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.699453 (E_RNA) where: Base-Base interactions energy: -1341.247 where: short stacking energy: -563.600 Base-Backbone interact. energy: -0.707 local terms energy: -608.746112 where: bonds (distance) C4'-P energy: -117.830 bonds (distance) P-C4' energy: -122.736 flat angles C4'-P-C4' energy: -129.028 flat angles P-C4'-P energy: -81.770 tors. eta vs tors. theta energy: -157.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1824.411820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.411820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.411820 (E_RNA) where: Base-Base interactions energy: -1232.224 where: short stacking energy: -519.378 Base-Backbone interact. energy: 0.491 local terms energy: -592.679199 where: bonds (distance) C4'-P energy: -130.311 bonds (distance) P-C4' energy: -130.056 flat angles C4'-P-C4' energy: -118.414 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: -150.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1649.749209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.749209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.749209 (E_RNA) where: Base-Base interactions energy: -1123.542 where: short stacking energy: -458.842 Base-Backbone interact. energy: -5.174 local terms energy: -521.033713 where: bonds (distance) C4'-P energy: -112.292 bonds (distance) P-C4' energy: -102.401 flat angles C4'-P-C4' energy: -124.707 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -112.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1496.136471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.136471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.136471 (E_RNA) where: Base-Base interactions energy: -965.279 where: short stacking energy: -429.833 Base-Backbone interact. energy: 2.960 local terms energy: -533.817977 where: bonds (distance) C4'-P energy: -103.242 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -126.513 flat angles P-C4'-P energy: -65.291 tors. eta vs tors. theta energy: -110.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1271.031429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.031429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.031429 (E_RNA) where: Base-Base interactions energy: -780.186 where: short stacking energy: -410.557 Base-Backbone interact. energy: -1.354 local terms energy: -489.490846 where: bonds (distance) C4'-P energy: -93.216 bonds (distance) P-C4' energy: -121.275 flat angles C4'-P-C4' energy: -113.579 flat angles P-C4'-P energy: -69.397 tors. eta vs tors. theta energy: -92.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1010.828860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.828860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.828860 (E_RNA) where: Base-Base interactions energy: -620.891 where: short stacking energy: -300.338 Base-Backbone interact. energy: 1.972 local terms energy: -391.909495 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -99.393 flat angles P-C4'-P energy: -37.248 tors. eta vs tors. theta energy: -48.094 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: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -703.017460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.017460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.017460 (E_RNA) where: Base-Base interactions energy: -305.354 where: short stacking energy: -186.802 Base-Backbone interact. energy: 1.812 local terms energy: -399.474873 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -109.665 flat angles C4'-P-C4' energy: -101.798 flat angles P-C4'-P energy: -61.701 tors. eta vs tors. theta energy: -14.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -488.461383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.461383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.461383 (E_RNA) where: Base-Base interactions energy: -173.873 where: short stacking energy: -142.062 Base-Backbone interact. energy: 1.383 local terms energy: -315.971171 where: bonds (distance) C4'-P energy: -99.446 bonds (distance) P-C4' energy: -113.769 flat angles C4'-P-C4' energy: -77.842 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: 13.388 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: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2098.842806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.842806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.842806 (E_RNA) where: Base-Base interactions energy: -1425.280 where: short stacking energy: -588.318 Base-Backbone interact. energy: -3.438 local terms energy: -670.124317 where: bonds (distance) C4'-P energy: -132.386 bonds (distance) P-C4' energy: -134.812 flat angles C4'-P-C4' energy: -146.386 flat angles P-C4'-P energy: -83.487 tors. eta vs tors. theta energy: -173.054 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2113.489942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.489942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.489942 (E_RNA) where: Base-Base interactions energy: -1465.352 where: short stacking energy: -615.982 Base-Backbone interact. energy: 2.077 local terms energy: -650.214241 where: bonds (distance) C4'-P energy: -123.913 bonds (distance) P-C4' energy: -124.223 flat angles C4'-P-C4' energy: -138.675 flat angles P-C4'-P energy: -79.669 tors. eta vs tors. theta energy: -183.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1927.561720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.561720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.561720 (E_RNA) where: Base-Base interactions energy: -1301.751 where: short stacking energy: -553.570 Base-Backbone interact. energy: -1.840 local terms energy: -623.970229 where: bonds (distance) C4'-P energy: -116.105 bonds (distance) P-C4' energy: -120.856 flat angles C4'-P-C4' energy: -138.316 flat angles P-C4'-P energy: -81.387 tors. eta vs tors. theta energy: -167.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1771.142535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.142535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.142535 (E_RNA) where: Base-Base interactions energy: -1221.196 where: short stacking energy: -502.041 Base-Backbone interact. energy: -0.884 local terms energy: -549.062349 where: bonds (distance) C4'-P energy: -102.786 bonds (distance) P-C4' energy: -116.606 flat angles C4'-P-C4' energy: -117.633 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -129.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1700.355831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.355831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.355831 (E_RNA) where: Base-Base interactions energy: -1129.400 where: short stacking energy: -481.791 Base-Backbone interact. energy: -2.796 local terms energy: -568.160198 where: bonds (distance) C4'-P energy: -117.227 bonds (distance) P-C4' energy: -119.051 flat angles C4'-P-C4' energy: -135.233 flat angles P-C4'-P energy: -69.775 tors. eta vs tors. theta energy: -126.874 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: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1527.183042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.183042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.183042 (E_RNA) where: Base-Base interactions energy: -1023.649 where: short stacking energy: -430.476 Base-Backbone interact. energy: -2.760 local terms energy: -500.774462 where: bonds (distance) C4'-P energy: -97.212 bonds (distance) P-C4' energy: -106.313 flat angles C4'-P-C4' energy: -127.720 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -98.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1229.899105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.899105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.899105 (E_RNA) where: Base-Base interactions energy: -781.532 where: short stacking energy: -383.350 Base-Backbone interact. energy: -1.024 local terms energy: -447.343522 where: bonds (distance) C4'-P energy: -91.701 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -112.087 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: -61.198 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: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1074.620524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.620524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.620524 (E_RNA) where: Base-Base interactions energy: -650.731 where: short stacking energy: -333.827 Base-Backbone interact. energy: 2.710 local terms energy: -426.600150 where: bonds (distance) C4'-P energy: -89.482 bonds (distance) P-C4' energy: -107.252 flat angles C4'-P-C4' energy: -108.955 flat angles P-C4'-P energy: -66.603 tors. eta vs tors. theta energy: -54.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -685.359572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.359572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.359572 (E_RNA) where: Base-Base interactions energy: -326.350 where: short stacking energy: -211.138 Base-Backbone interact. energy: -0.741 local terms energy: -358.268403 where: bonds (distance) C4'-P energy: -110.774 bonds (distance) P-C4' energy: -112.798 flat angles C4'-P-C4' energy: -85.704 flat angles P-C4'-P energy: -58.870 tors. eta vs tors. theta energy: 9.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -527.132277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.132277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.132277 (E_RNA) where: Base-Base interactions energy: -195.854 where: short stacking energy: -157.202 Base-Backbone interact. energy: 4.116 local terms energy: -335.394290 where: bonds (distance) C4'-P energy: -98.975 bonds (distance) P-C4' energy: -93.555 flat angles C4'-P-C4' energy: -96.841 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2122.225433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.225433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.225433 (E_RNA) where: Base-Base interactions energy: -1475.266 where: short stacking energy: -590.950 Base-Backbone interact. energy: -4.532 local terms energy: -642.427177 where: bonds (distance) C4'-P energy: -131.928 bonds (distance) P-C4' energy: -116.776 flat angles C4'-P-C4' energy: -139.207 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -162.301 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: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2114.066508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.066508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.066508 (E_RNA) where: Base-Base interactions energy: -1462.035 where: short stacking energy: -596.919 Base-Backbone interact. energy: 2.172 local terms energy: -654.203533 where: bonds (distance) C4'-P energy: -117.727 bonds (distance) P-C4' energy: -118.091 flat angles C4'-P-C4' energy: -136.829 flat angles P-C4'-P energy: -99.315 tors. eta vs tors. theta energy: -182.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1940.378664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.378664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.378664 (E_RNA) where: Base-Base interactions energy: -1324.951 where: short stacking energy: -556.903 Base-Backbone interact. energy: 1.534 local terms energy: -616.961406 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -118.499 flat angles C4'-P-C4' energy: -136.170 flat angles P-C4'-P energy: -80.634 tors. eta vs tors. theta energy: -156.670 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: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1808.671865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.671865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.671865 (E_RNA) where: Base-Base interactions energy: -1227.373 where: short stacking energy: -527.248 Base-Backbone interact. energy: -4.809 local terms energy: -576.490294 where: bonds (distance) C4'-P energy: -105.768 bonds (distance) P-C4' energy: -120.684 flat angles C4'-P-C4' energy: -132.499 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -134.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1668.879030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.879030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.879030 (E_RNA) where: Base-Base interactions energy: -1155.207 where: short stacking energy: -490.393 Base-Backbone interact. energy: -0.039 local terms energy: -513.632925 where: bonds (distance) C4'-P energy: -99.343 bonds (distance) P-C4' energy: -112.852 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -61.546 tors. eta vs tors. theta energy: -107.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1529.503623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.503623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.503623 (E_RNA) where: Base-Base interactions energy: -1036.378 where: short stacking energy: -427.673 Base-Backbone interact. energy: 4.062 local terms energy: -497.186884 where: bonds (distance) C4'-P energy: -96.175 bonds (distance) P-C4' energy: -107.775 flat angles C4'-P-C4' energy: -122.849 flat angles P-C4'-P energy: -66.244 tors. eta vs tors. theta energy: -104.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1167.517527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.517527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.517527 (E_RNA) where: Base-Base interactions energy: -718.554 where: short stacking energy: -326.397 Base-Backbone interact. energy: 5.840 local terms energy: -454.803840 where: bonds (distance) C4'-P energy: -103.813 bonds (distance) P-C4' energy: -111.737 flat angles C4'-P-C4' energy: -110.523 flat angles P-C4'-P energy: -78.507 tors. eta vs tors. theta energy: -50.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1083.862637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.862637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.862637 (E_RNA) where: Base-Base interactions energy: -646.738 where: short stacking energy: -305.880 Base-Backbone interact. energy: -5.048 local terms energy: -432.076331 where: bonds (distance) C4'-P energy: -97.701 bonds (distance) P-C4' energy: -107.774 flat angles C4'-P-C4' energy: -104.741 flat angles P-C4'-P energy: -67.036 tors. eta vs tors. theta energy: -54.824 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: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -686.783831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.783831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.783831 (E_RNA) where: Base-Base interactions energy: -326.105 where: short stacking energy: -169.404 Base-Backbone interact. energy: -0.746 local terms energy: -359.933380 where: bonds (distance) C4'-P energy: -111.302 bonds (distance) P-C4' energy: -106.290 flat angles C4'-P-C4' energy: -85.954 flat angles P-C4'-P energy: -54.524 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -526.731469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.731469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.731469 (E_RNA) where: Base-Base interactions energy: -219.313 where: short stacking energy: -153.422 Base-Backbone interact. energy: -2.261 local terms energy: -305.156980 where: bonds (distance) C4'-P energy: -95.619 bonds (distance) P-C4' energy: -112.135 flat angles C4'-P-C4' energy: -68.813 flat angles P-C4'-P energy: -44.402 tors. eta vs tors. theta energy: 15.812 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: 154 Temperature: 0.900000 Total energy: -2186.001480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.001480 (E_RNA) where: Base-Base interactions energy: -1498.466 where: short stacking energy: -628.601 Base-Backbone interact. energy: -3.152 local terms energy: -684.384270 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -129.045 flat angles C4'-P-C4' energy: -138.580 flat angles P-C4'-P energy: -105.148 tors. eta vs tors. theta energy: -191.335 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: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2083.786830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.786830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.786830 (E_RNA) where: Base-Base interactions energy: -1440.848 where: short stacking energy: -558.767 Base-Backbone interact. energy: -2.235 local terms energy: -640.703435 where: bonds (distance) C4'-P energy: -114.460 bonds (distance) P-C4' energy: -125.381 flat angles C4'-P-C4' energy: -146.139 flat angles P-C4'-P energy: -94.704 tors. eta vs tors. theta energy: -160.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1968.675029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.675029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.675029 (E_RNA) where: Base-Base interactions energy: -1336.227 where: short stacking energy: -563.871 Base-Backbone interact. energy: -0.355 local terms energy: -632.093314 where: bonds (distance) C4'-P energy: -125.122 bonds (distance) P-C4' energy: -127.993 flat angles C4'-P-C4' energy: -123.689 flat angles P-C4'-P energy: -87.262 tors. eta vs tors. theta energy: -168.027 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: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1836.875552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.875552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.875552 (E_RNA) where: Base-Base interactions energy: -1260.895 where: short stacking energy: -536.955 Base-Backbone interact. energy: -3.175 local terms energy: -572.805802 where: bonds (distance) C4'-P energy: -91.832 bonds (distance) P-C4' energy: -108.466 flat angles C4'-P-C4' energy: -137.926 flat angles P-C4'-P energy: -87.348 tors. eta vs tors. theta energy: -147.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1564.351078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.351078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.351078 (E_RNA) where: Base-Base interactions energy: -1047.184 where: short stacking energy: -454.145 Base-Backbone interact. energy: 0.378 local terms energy: -517.544606 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -106.706 flat angles C4'-P-C4' energy: -129.080 flat angles P-C4'-P energy: -77.500 tors. eta vs tors. theta energy: -108.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1543.752754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.752754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.752754 (E_RNA) where: Base-Base interactions energy: -981.463 where: short stacking energy: -447.075 Base-Backbone interact. energy: -0.358 local terms energy: -561.931742 where: bonds (distance) C4'-P energy: -107.096 bonds (distance) P-C4' energy: -109.385 flat angles C4'-P-C4' energy: -132.947 flat angles P-C4'-P energy: -92.306 tors. eta vs tors. theta energy: -120.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1231.411373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.411373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.411373 (E_RNA) where: Base-Base interactions energy: -747.105 where: short stacking energy: -327.364 Base-Backbone interact. energy: -2.313 local terms energy: -481.992881 where: bonds (distance) C4'-P energy: -98.788 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -123.799 flat angles P-C4'-P energy: -73.536 tors. eta vs tors. theta energy: -64.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -996.286247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.286247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.286247 (E_RNA) where: Base-Base interactions energy: -580.080 where: short stacking energy: -283.084 Base-Backbone interact. energy: 2.709 local terms energy: -418.915153 where: bonds (distance) C4'-P energy: -105.919 bonds (distance) P-C4' energy: -98.944 flat angles C4'-P-C4' energy: -105.661 flat angles P-C4'-P energy: -63.847 tors. eta vs tors. theta energy: -44.544 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: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -705.296123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.296123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.296123 (E_RNA) where: Base-Base interactions energy: -367.911 where: short stacking energy: -192.628 Base-Backbone interact. energy: 1.997 local terms energy: -339.382409 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -104.995 flat angles C4'-P-C4' energy: -95.331 flat angles P-C4'-P energy: -54.492 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: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -512.207791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.207791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.207791 (E_RNA) where: Base-Base interactions energy: -199.441 where: short stacking energy: -162.566 Base-Backbone interact. energy: 7.056 local terms energy: -319.822436 where: bonds (distance) C4'-P energy: -102.386 bonds (distance) P-C4' energy: -93.413 flat angles C4'-P-C4' energy: -85.191 flat angles P-C4'-P energy: -51.055 tors. eta vs tors. theta energy: 12.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2172.587389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.587389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.587389 (E_RNA) where: Base-Base interactions energy: -1500.372 where: short stacking energy: -614.395 Base-Backbone interact. energy: -2.126 local terms energy: -670.089760 where: bonds (distance) C4'-P energy: -121.234 bonds (distance) P-C4' energy: -130.299 flat angles C4'-P-C4' energy: -143.334 flat angles P-C4'-P energy: -87.947 tors. eta vs tors. theta energy: -187.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2008.661280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.661280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.661280 (E_RNA) where: Base-Base interactions energy: -1344.553 where: short stacking energy: -567.387 Base-Backbone interact. energy: -1.250 local terms energy: -662.858016 where: bonds (distance) C4'-P energy: -117.027 bonds (distance) P-C4' energy: -121.595 flat angles C4'-P-C4' energy: -150.707 flat angles P-C4'-P energy: -98.344 tors. eta vs tors. theta energy: -175.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1961.648298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.648298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.648298 (E_RNA) where: Base-Base interactions energy: -1352.260 where: short stacking energy: -539.373 Base-Backbone interact. energy: 0.912 local terms energy: -610.300784 where: bonds (distance) C4'-P energy: -121.934 bonds (distance) P-C4' energy: -113.500 flat angles C4'-P-C4' energy: -132.803 flat angles P-C4'-P energy: -92.448 tors. eta vs tors. theta energy: -149.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1827.781751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.781751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.781751 (E_RNA) where: Base-Base interactions energy: -1263.293 where: short stacking energy: -554.025 Base-Backbone interact. energy: -4.887 local terms energy: -559.602160 where: bonds (distance) C4'-P energy: -97.285 bonds (distance) P-C4' energy: -88.693 flat angles C4'-P-C4' energy: -130.084 flat angles P-C4'-P energy: -89.328 tors. eta vs tors. theta energy: -154.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1583.477096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.477096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.477096 (E_RNA) where: Base-Base interactions energy: -1063.003 where: short stacking energy: -445.539 Base-Backbone interact. energy: -0.021 local terms energy: -520.453900 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -113.952 flat angles C4'-P-C4' energy: -121.552 flat angles P-C4'-P energy: -75.098 tors. eta vs tors. theta energy: -93.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1518.938719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.938719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.938719 (E_RNA) where: Base-Base interactions energy: -1000.962 where: short stacking energy: -435.560 Base-Backbone interact. energy: -3.063 local terms energy: -514.913563 where: bonds (distance) C4'-P energy: -110.506 bonds (distance) P-C4' energy: -111.259 flat angles C4'-P-C4' energy: -130.963 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -106.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1205.061869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.061869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.061869 (E_RNA) where: Base-Base interactions energy: -736.952 where: short stacking energy: -349.721 Base-Backbone interact. energy: 1.278 local terms energy: -469.387821 where: bonds (distance) C4'-P energy: -108.131 bonds (distance) P-C4' energy: -106.034 flat angles C4'-P-C4' energy: -120.461 flat angles P-C4'-P energy: -64.336 tors. eta vs tors. theta energy: -70.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1003.376354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.376354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.376354 (E_RNA) where: Base-Base interactions energy: -586.368 where: short stacking energy: -298.345 Base-Backbone interact. energy: -1.717 local terms energy: -415.291451 where: bonds (distance) C4'-P energy: -98.407 bonds (distance) P-C4' energy: -103.506 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -61.904 tors. eta vs tors. theta energy: -49.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -672.747365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.747365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.747365 (E_RNA) where: Base-Base interactions energy: -337.220 where: short stacking energy: -168.610 Base-Backbone interact. energy: -2.410 local terms energy: -333.116676 where: bonds (distance) C4'-P energy: -107.355 bonds (distance) P-C4' energy: -98.426 flat angles C4'-P-C4' energy: -94.967 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: 23.376 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: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -532.305318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.305318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.305318 (E_RNA) where: Base-Base interactions energy: -227.887 where: short stacking energy: -177.358 Base-Backbone interact. energy: -1.118 local terms energy: -303.299844 where: bonds (distance) C4'-P energy: -104.295 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -71.762 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: 11.223 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: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2212.254683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.254683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.254683 (E_RNA) where: Base-Base interactions energy: -1552.591 where: short stacking energy: -662.723 Base-Backbone interact. energy: -3.682 local terms energy: -655.981155 where: bonds (distance) C4'-P energy: -121.753 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -142.848 flat angles P-C4'-P energy: -82.718 tors. eta vs tors. theta energy: -179.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1998.756751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.756751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.756751 (E_RNA) where: Base-Base interactions energy: -1337.422 where: short stacking energy: -600.422 Base-Backbone interact. energy: 1.554 local terms energy: -662.888240 where: bonds (distance) C4'-P energy: -129.212 bonds (distance) P-C4' energy: -122.287 flat angles C4'-P-C4' energy: -138.623 flat angles P-C4'-P energy: -102.934 tors. eta vs tors. theta energy: -169.831 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: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1988.478155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.478155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.478155 (E_RNA) where: Base-Base interactions energy: -1406.681 where: short stacking energy: -569.738 Base-Backbone interact. energy: 0.797 local terms energy: -582.594156 where: bonds (distance) C4'-P energy: -115.707 bonds (distance) P-C4' energy: -103.779 flat angles C4'-P-C4' energy: -132.105 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -143.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1868.625149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.625149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.625149 (E_RNA) where: Base-Base interactions energy: -1303.184 where: short stacking energy: -540.464 Base-Backbone interact. energy: -5.697 local terms energy: -559.743683 where: bonds (distance) C4'-P energy: -103.762 bonds (distance) P-C4' energy: -110.335 flat angles C4'-P-C4' energy: -120.960 flat angles P-C4'-P energy: -74.550 tors. eta vs tors. theta energy: -150.137 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: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1612.975520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.975520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.975520 (E_RNA) where: Base-Base interactions energy: -1055.656 where: short stacking energy: -482.185 Base-Backbone interact. energy: -2.709 local terms energy: -554.610306 where: bonds (distance) C4'-P energy: -123.286 bonds (distance) P-C4' energy: -120.030 flat angles C4'-P-C4' energy: -130.746 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -114.909 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: 6, replica: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1576.936938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.936938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.936938 (E_RNA) where: Base-Base interactions energy: -1065.116 where: short stacking energy: -448.279 Base-Backbone interact. energy: 2.504 local terms energy: -514.324650 where: bonds (distance) C4'-P energy: -102.962 bonds (distance) P-C4' energy: -117.460 flat angles C4'-P-C4' energy: -108.399 flat angles P-C4'-P energy: -68.553 tors. eta vs tors. theta energy: -116.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1259.680414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.680414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.680414 (E_RNA) where: Base-Base interactions energy: -770.160 where: short stacking energy: -351.200 Base-Backbone interact. energy: -2.729 local terms energy: -486.790664 where: bonds (distance) C4'-P energy: -120.752 bonds (distance) P-C4' energy: -93.382 flat angles C4'-P-C4' energy: -136.462 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -75.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -994.069775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.069775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.069775 (E_RNA) where: Base-Base interactions energy: -600.914 where: short stacking energy: -316.882 Base-Backbone interact. energy: -0.527 local terms energy: -392.629256 where: bonds (distance) C4'-P energy: -90.508 bonds (distance) P-C4' energy: -100.960 flat angles C4'-P-C4' energy: -115.080 flat angles P-C4'-P energy: -65.163 tors. eta vs tors. theta energy: -20.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -641.641303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.641303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.641303 (E_RNA) where: Base-Base interactions energy: -287.172 where: short stacking energy: -176.549 Base-Backbone interact. energy: -1.091 local terms energy: -353.377844 where: bonds (distance) C4'-P energy: -97.578 bonds (distance) P-C4' energy: -111.035 flat angles C4'-P-C4' energy: -106.598 flat angles P-C4'-P energy: -54.613 tors. eta vs tors. theta energy: 16.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -516.102544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.102544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.102544 (E_RNA) where: Base-Base interactions energy: -204.088 where: short stacking energy: -145.713 Base-Backbone interact. energy: -1.938 local terms energy: -310.076880 where: bonds (distance) C4'-P energy: -106.372 bonds (distance) P-C4' energy: -113.322 flat angles C4'-P-C4' energy: -78.671 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: 31.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2177.754422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.754422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.754422 (E_RNA) where: Base-Base interactions energy: -1501.823 where: short stacking energy: -620.545 Base-Backbone interact. energy: -4.142 local terms energy: -671.789835 where: bonds (distance) C4'-P energy: -104.526 bonds (distance) P-C4' energy: -142.198 flat angles C4'-P-C4' energy: -136.154 flat angles P-C4'-P energy: -97.829 tors. eta vs tors. theta energy: -191.082 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: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2029.654241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.654241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.654241 (E_RNA) where: Base-Base interactions energy: -1396.457 where: short stacking energy: -596.180 Base-Backbone interact. energy: -1.597 local terms energy: -631.600514 where: bonds (distance) C4'-P energy: -121.627 bonds (distance) P-C4' energy: -119.675 flat angles C4'-P-C4' energy: -134.896 flat angles P-C4'-P energy: -98.908 tors. eta vs tors. theta energy: -156.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1956.834558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.834558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.834558 (E_RNA) where: Base-Base interactions energy: -1326.892 where: short stacking energy: -576.046 Base-Backbone interact. energy: -6.325 local terms energy: -623.617466 where: bonds (distance) C4'-P energy: -123.870 bonds (distance) P-C4' energy: -126.042 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -79.777 tors. eta vs tors. theta energy: -161.346 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: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1868.671550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.671550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.671550 (E_RNA) where: Base-Base interactions energy: -1266.024 where: short stacking energy: -533.065 Base-Backbone interact. energy: -5.768 local terms energy: -596.879825 where: bonds (distance) C4'-P energy: -117.872 bonds (distance) P-C4' energy: -121.978 flat angles C4'-P-C4' energy: -126.884 flat angles P-C4'-P energy: -82.861 tors. eta vs tors. theta energy: -147.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1560.200100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.200100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.200100 (E_RNA) where: Base-Base interactions energy: -1015.806 where: short stacking energy: -449.411 Base-Backbone interact. energy: 0.493 local terms energy: -544.886307 where: bonds (distance) C4'-P energy: -117.337 bonds (distance) P-C4' energy: -129.912 flat angles C4'-P-C4' energy: -115.700 flat angles P-C4'-P energy: -77.331 tors. eta vs tors. theta energy: -104.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1494.909456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.909456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.909456 (E_RNA) where: Base-Base interactions energy: -965.292 where: short stacking energy: -418.725 Base-Backbone interact. energy: -7.590 local terms energy: -522.026903 where: bonds (distance) C4'-P energy: -124.216 bonds (distance) P-C4' energy: -109.334 flat angles C4'-P-C4' energy: -111.794 flat angles P-C4'-P energy: -71.548 tors. eta vs tors. theta energy: -105.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1276.450641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.450641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.450641 (E_RNA) where: Base-Base interactions energy: -781.152 where: short stacking energy: -369.446 Base-Backbone interact. energy: -3.994 local terms energy: -491.304609 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -112.806 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -77.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -999.449011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.449011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.449011 (E_RNA) where: Base-Base interactions energy: -581.189 where: short stacking energy: -283.687 Base-Backbone interact. energy: -0.965 local terms energy: -417.295670 where: bonds (distance) C4'-P energy: -98.639 bonds (distance) P-C4' energy: -119.345 flat angles C4'-P-C4' energy: -93.624 flat angles P-C4'-P energy: -58.024 tors. eta vs tors. theta energy: -47.663 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: 9, replica: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -664.541526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.541526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.541526 (E_RNA) where: Base-Base interactions energy: -324.936 where: short stacking energy: -171.338 Base-Backbone interact. energy: 1.825 local terms energy: -341.430754 where: bonds (distance) C4'-P energy: -99.040 bonds (distance) P-C4' energy: -119.792 flat angles C4'-P-C4' energy: -76.788 flat angles P-C4'-P energy: -61.295 tors. eta vs tors. theta energy: 15.484 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: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -509.750070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.750070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.750070 (E_RNA) where: Base-Base interactions energy: -175.686 where: short stacking energy: -150.263 Base-Backbone interact. energy: -3.075 local terms energy: -330.988652 where: bonds (distance) C4'-P energy: -100.426 bonds (distance) P-C4' energy: -107.418 flat angles C4'-P-C4' energy: -87.600 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: 12.425 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: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2160.718149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.718149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.718149 (E_RNA) where: Base-Base interactions energy: -1468.726 where: short stacking energy: -633.042 Base-Backbone interact. energy: 3.217 local terms energy: -695.209123 where: bonds (distance) C4'-P energy: -121.841 bonds (distance) P-C4' energy: -136.078 flat angles C4'-P-C4' energy: -155.456 flat angles P-C4'-P energy: -91.731 tors. eta vs tors. theta energy: -190.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2050.915021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.915021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.915021 (E_RNA) where: Base-Base interactions energy: -1433.596 where: short stacking energy: -595.625 Base-Backbone interact. energy: -0.484 local terms energy: -616.835279 where: bonds (distance) C4'-P energy: -123.944 bonds (distance) P-C4' energy: -104.957 flat angles C4'-P-C4' energy: -134.939 flat angles P-C4'-P energy: -93.458 tors. eta vs tors. theta energy: -159.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1931.867491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.867491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.867491 (E_RNA) where: Base-Base interactions energy: -1297.599 where: short stacking energy: -577.748 Base-Backbone interact. energy: 1.288 local terms energy: -635.555960 where: bonds (distance) C4'-P energy: -127.133 bonds (distance) P-C4' energy: -121.107 flat angles C4'-P-C4' energy: -136.137 flat angles P-C4'-P energy: -84.464 tors. eta vs tors. theta energy: -166.715 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: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1896.625887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.625887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.625887 (E_RNA) where: Base-Base interactions energy: -1301.909 where: short stacking energy: -535.639 Base-Backbone interact. energy: 1.579 local terms energy: -596.296234 where: bonds (distance) C4'-P energy: -112.575 bonds (distance) P-C4' energy: -121.258 flat angles C4'-P-C4' energy: -136.628 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -141.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1590.088421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.088421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.088421 (E_RNA) where: Base-Base interactions energy: -1076.723 where: short stacking energy: -445.505 Base-Backbone interact. energy: -3.678 local terms energy: -509.688044 where: bonds (distance) C4'-P energy: -100.712 bonds (distance) P-C4' energy: -118.206 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -78.569 tors. eta vs tors. theta energy: -102.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1482.334892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.334892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.334892 (E_RNA) where: Base-Base interactions energy: -954.069 where: short stacking energy: -428.974 Base-Backbone interact. energy: 2.736 local terms energy: -531.001953 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -118.331 flat angles C4'-P-C4' energy: -120.873 flat angles P-C4'-P energy: -72.373 tors. eta vs tors. theta energy: -106.604 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: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1274.338996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.338996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.338996 (E_RNA) where: Base-Base interactions energy: -839.534 where: short stacking energy: -375.203 Base-Backbone interact. energy: 0.972 local terms energy: -435.776397 where: bonds (distance) C4'-P energy: -103.384 bonds (distance) P-C4' energy: -88.947 flat angles C4'-P-C4' energy: -106.251 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -78.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -964.761356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.761356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.761356 (E_RNA) where: Base-Base interactions energy: -580.065 where: short stacking energy: -278.881 Base-Backbone interact. energy: -2.489 local terms energy: -382.207685 where: bonds (distance) C4'-P energy: -108.458 bonds (distance) P-C4' energy: -91.193 flat angles C4'-P-C4' energy: -99.408 flat angles P-C4'-P energy: -49.561 tors. eta vs tors. theta energy: -33.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -635.301725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.301725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.301725 (E_RNA) where: Base-Base interactions energy: -295.618 where: short stacking energy: -190.943 Base-Backbone interact. energy: 2.890 local terms energy: -342.573940 where: bonds (distance) C4'-P energy: -100.518 bonds (distance) P-C4' energy: -99.892 flat angles C4'-P-C4' energy: -93.003 flat angles P-C4'-P energy: -61.558 tors. eta vs tors. theta energy: 12.397 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: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -529.838220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.838220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.838220 (E_RNA) where: Base-Base interactions energy: -189.201 where: short stacking energy: -152.577 Base-Backbone interact. energy: -1.187 local terms energy: -339.449776 where: bonds (distance) C4'-P energy: -107.635 bonds (distance) P-C4' energy: -115.063 flat angles C4'-P-C4' energy: -83.067 flat angles P-C4'-P energy: -43.170 tors. eta vs tors. theta energy: 9.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2184.671864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.671864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.671864 (E_RNA) where: Base-Base interactions energy: -1505.487 where: short stacking energy: -615.684 Base-Backbone interact. energy: -0.807 local terms energy: -678.377504 where: bonds (distance) C4'-P energy: -114.474 bonds (distance) P-C4' energy: -136.126 flat angles C4'-P-C4' energy: -143.771 flat angles P-C4'-P energy: -99.437 tors. eta vs tors. theta energy: -184.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2045.125924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.125924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.125924 (E_RNA) where: Base-Base interactions energy: -1411.709 where: short stacking energy: -608.036 Base-Backbone interact. energy: -4.870 local terms energy: -628.546864 where: bonds (distance) C4'-P energy: -124.666 bonds (distance) P-C4' energy: -118.852 flat angles C4'-P-C4' energy: -141.422 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -163.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1908.025791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.025791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.025791 (E_RNA) where: Base-Base interactions energy: -1302.712 where: short stacking energy: -572.499 Base-Backbone interact. energy: -3.887 local terms energy: -601.426851 where: bonds (distance) C4'-P energy: -113.440 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -127.402 flat angles P-C4'-P energy: -78.348 tors. eta vs tors. theta energy: -164.504 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: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1905.887456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.887456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.887456 (E_RNA) where: Base-Base interactions energy: -1299.137 where: short stacking energy: -557.292 Base-Backbone interact. energy: 0.291 local terms energy: -607.041141 where: bonds (distance) C4'-P energy: -107.679 bonds (distance) P-C4' energy: -126.191 flat angles C4'-P-C4' energy: -128.331 flat angles P-C4'-P energy: -87.569 tors. eta vs tors. theta energy: -157.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1652.454407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.454407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.454407 (E_RNA) where: Base-Base interactions energy: -1105.365 where: short stacking energy: -482.693 Base-Backbone interact. energy: 1.735 local terms energy: -548.824957 where: bonds (distance) C4'-P energy: -114.696 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -119.983 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: -118.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1536.013918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.013918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.013918 (E_RNA) where: Base-Base interactions energy: -1036.642 where: short stacking energy: -484.106 Base-Backbone interact. energy: -1.503 local terms energy: -497.868832 where: bonds (distance) C4'-P energy: -113.153 bonds (distance) P-C4' energy: -91.250 flat angles C4'-P-C4' energy: -113.776 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -113.618 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: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1287.282110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.282110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.282110 (E_RNA) where: Base-Base interactions energy: -801.525 where: short stacking energy: -388.876 Base-Backbone interact. energy: -2.606 local terms energy: -483.150828 where: bonds (distance) C4'-P energy: -90.293 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -121.158 flat angles P-C4'-P energy: -70.026 tors. eta vs tors. theta energy: -80.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -971.210498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.210498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.210498 (E_RNA) where: Base-Base interactions energy: -567.293 where: short stacking energy: -292.098 Base-Backbone interact. energy: -0.393 local terms energy: -403.524582 where: bonds (distance) C4'-P energy: -87.214 bonds (distance) P-C4' energy: -124.139 flat angles C4'-P-C4' energy: -103.893 flat angles P-C4'-P energy: -52.805 tors. eta vs tors. theta energy: -35.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -646.852452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.852452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.852452 (E_RNA) where: Base-Base interactions energy: -310.894 where: short stacking energy: -215.003 Base-Backbone interact. energy: -0.882 local terms energy: -335.077107 where: bonds (distance) C4'-P energy: -96.182 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -80.391 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: -9.993 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: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -523.042416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.042416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.042416 (E_RNA) where: Base-Base interactions energy: -188.557 where: short stacking energy: -151.942 Base-Backbone interact. energy: -0.191 local terms energy: -334.294210 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -110.630 flat angles C4'-P-C4' energy: -91.431 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: 13.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2176.422193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.422193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.422193 (E_RNA) where: Base-Base interactions energy: -1478.375 where: short stacking energy: -644.317 Base-Backbone interact. energy: -4.298 local terms energy: -693.748866 where: bonds (distance) C4'-P energy: -121.569 bonds (distance) P-C4' energy: -138.574 flat angles C4'-P-C4' energy: -141.564 flat angles P-C4'-P energy: -95.881 tors. eta vs tors. theta energy: -196.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2059.294609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.294609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.294609 (E_RNA) where: Base-Base interactions energy: -1443.979 where: short stacking energy: -595.988 Base-Backbone interact. energy: 1.806 local terms energy: -617.121710 where: bonds (distance) C4'-P energy: -122.535 bonds (distance) P-C4' energy: -104.495 flat angles C4'-P-C4' energy: -130.785 flat angles P-C4'-P energy: -92.555 tors. eta vs tors. theta energy: -166.752 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: 160 Temperature: 1.000000 Total energy: -1977.540647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.540647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.540647 (E_RNA) where: Base-Base interactions energy: -1355.253 where: short stacking energy: -566.079 Base-Backbone interact. energy: -5.713 local terms energy: -616.574900 where: bonds (distance) C4'-P energy: -112.223 bonds (distance) P-C4' energy: -121.458 flat angles C4'-P-C4' energy: -137.037 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -161.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1885.415969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.415969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.415969 (E_RNA) where: Base-Base interactions energy: -1254.129 where: short stacking energy: -548.733 Base-Backbone interact. energy: -0.322 local terms energy: -630.965491 where: bonds (distance) C4'-P energy: -107.763 bonds (distance) P-C4' energy: -126.441 flat angles C4'-P-C4' energy: -135.771 flat angles P-C4'-P energy: -94.408 tors. eta vs tors. theta energy: -166.582 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: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1672.099853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.099853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.099853 (E_RNA) where: Base-Base interactions energy: -1114.639 where: short stacking energy: -493.369 Base-Backbone interact. energy: -1.994 local terms energy: -555.466234 where: bonds (distance) C4'-P energy: -116.209 bonds (distance) P-C4' energy: -114.562 flat angles C4'-P-C4' energy: -134.006 flat angles P-C4'-P energy: -69.291 tors. eta vs tors. theta energy: -121.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1459.405414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.405414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.405414 (E_RNA) where: Base-Base interactions energy: -946.734 where: short stacking energy: -400.810 Base-Backbone interact. energy: 4.868 local terms energy: -517.539379 where: bonds (distance) C4'-P energy: -113.220 bonds (distance) P-C4' energy: -123.848 flat angles C4'-P-C4' energy: -120.033 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: -96.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1241.782091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.782091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.782091 (E_RNA) where: Base-Base interactions energy: -750.395 where: short stacking energy: -342.832 Base-Backbone interact. energy: -5.422 local terms energy: -485.964670 where: bonds (distance) C4'-P energy: -121.412 bonds (distance) P-C4' energy: -91.045 flat angles C4'-P-C4' energy: -123.819 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -74.554 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1042.766712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.766712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.766712 (E_RNA) where: Base-Base interactions energy: -627.228 where: short stacking energy: -303.158 Base-Backbone interact. energy: 0.922 local terms energy: -416.460973 where: bonds (distance) C4'-P energy: -91.962 bonds (distance) P-C4' energy: -98.249 flat angles C4'-P-C4' energy: -105.874 flat angles P-C4'-P energy: -81.437 tors. eta vs tors. theta energy: -38.939 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: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -527.705175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.705175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.705175 (E_RNA) where: Base-Base interactions energy: -196.267 where: short stacking energy: -143.282 Base-Backbone interact. energy: 2.992 local terms energy: -334.429617 where: bonds (distance) C4'-P energy: -103.495 bonds (distance) P-C4' energy: -109.177 flat angles C4'-P-C4' energy: -91.667 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: 20.714 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: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -573.454419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.454419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.454419 (E_RNA) where: Base-Base interactions energy: -251.017 where: short stacking energy: -163.061 Base-Backbone interact. energy: -1.181 local terms energy: -321.256265 where: bonds (distance) C4'-P energy: -90.933 bonds (distance) P-C4' energy: -94.919 flat angles C4'-P-C4' energy: -110.117 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: 14.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2168.549721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.549721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.549721 (E_RNA) where: Base-Base interactions energy: -1482.759 where: short stacking energy: -615.018 Base-Backbone interact. energy: -5.680 local terms energy: -680.110700 where: bonds (distance) C4'-P energy: -119.947 bonds (distance) P-C4' energy: -125.910 flat angles C4'-P-C4' energy: -146.409 flat angles P-C4'-P energy: -100.686 tors. eta vs tors. theta energy: -187.159 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: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2033.476180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.476180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.476180 (E_RNA) where: Base-Base interactions energy: -1424.839 where: short stacking energy: -554.859 Base-Backbone interact. energy: -2.866 local terms energy: -605.770931 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -116.049 flat angles C4'-P-C4' energy: -132.799 flat angles P-C4'-P energy: -83.957 tors. eta vs tors. theta energy: -149.282 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: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2029.349834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.349834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.349834 (E_RNA) where: Base-Base interactions energy: -1371.672 where: short stacking energy: -577.411 Base-Backbone interact. energy: -1.062 local terms energy: -656.615886 where: bonds (distance) C4'-P energy: -115.840 bonds (distance) P-C4' energy: -128.655 flat angles C4'-P-C4' energy: -148.393 flat angles P-C4'-P energy: -91.878 tors. eta vs tors. theta energy: -171.850 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: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1859.786253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.786253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.786253 (E_RNA) where: Base-Base interactions energy: -1246.246 where: short stacking energy: -550.879 Base-Backbone interact. energy: -0.218 local terms energy: -613.322297 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -118.360 flat angles C4'-P-C4' energy: -145.065 flat angles P-C4'-P energy: -93.626 tors. eta vs tors. theta energy: -167.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1631.644432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.644432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.644432 (E_RNA) where: Base-Base interactions energy: -1099.289 where: short stacking energy: -495.722 Base-Backbone interact. energy: -0.939 local terms energy: -531.416189 where: bonds (distance) C4'-P energy: -102.971 bonds (distance) P-C4' energy: -103.762 flat angles C4'-P-C4' energy: -115.792 flat angles P-C4'-P energy: -82.436 tors. eta vs tors. theta energy: -126.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1425.918536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.918536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.918536 (E_RNA) where: Base-Base interactions energy: -916.777 where: short stacking energy: -412.198 Base-Backbone interact. energy: -3.285 local terms energy: -505.857135 where: bonds (distance) C4'-P energy: -106.424 bonds (distance) P-C4' energy: -126.341 flat angles C4'-P-C4' energy: -111.243 flat angles P-C4'-P energy: -56.457 tors. eta vs tors. theta energy: -105.394 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: 161 Temperature: 1.200000 Total energy: -1215.238170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.238170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.238170 (E_RNA) where: Base-Base interactions energy: -768.000 where: short stacking energy: -381.169 Base-Backbone interact. energy: -1.537 local terms energy: -445.701671 where: bonds (distance) C4'-P energy: -85.336 bonds (distance) P-C4' energy: -107.359 flat angles C4'-P-C4' energy: -108.344 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: -81.093 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -961.767397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.767397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.767397 (E_RNA) where: Base-Base interactions energy: -532.150 where: short stacking energy: -265.715 Base-Backbone interact. energy: -2.461 local terms energy: -427.156632 where: bonds (distance) C4'-P energy: -126.999 bonds (distance) P-C4' energy: -94.401 flat angles C4'-P-C4' energy: -101.562 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -38.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -535.493226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.493226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.493226 (E_RNA) where: Base-Base interactions energy: -210.834 where: short stacking energy: -185.591 Base-Backbone interact. energy: 1.070 local terms energy: -325.729555 where: bonds (distance) C4'-P energy: -100.655 bonds (distance) P-C4' energy: -107.317 flat angles C4'-P-C4' energy: -71.157 flat angles P-C4'-P energy: -46.090 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -546.753120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.753120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.753120 (E_RNA) where: Base-Base interactions energy: -223.524 where: short stacking energy: -144.638 Base-Backbone interact. energy: 2.634 local terms energy: -325.862353 where: bonds (distance) C4'-P energy: -100.508 bonds (distance) P-C4' energy: -95.309 flat angles C4'-P-C4' energy: -91.865 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: -1.394 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: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2202.293370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.293370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.293370 (E_RNA) where: Base-Base interactions energy: -1537.054 where: short stacking energy: -641.940 Base-Backbone interact. energy: -1.694 local terms energy: -663.545196 where: bonds (distance) C4'-P energy: -124.346 bonds (distance) P-C4' energy: -136.956 flat angles C4'-P-C4' energy: -133.664 flat angles P-C4'-P energy: -86.714 tors. eta vs tors. theta energy: -181.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2030.634110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.634110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.634110 (E_RNA) where: Base-Base interactions energy: -1427.477 where: short stacking energy: -586.484 Base-Backbone interact. energy: -1.667 local terms energy: -601.489874 where: bonds (distance) C4'-P energy: -112.501 bonds (distance) P-C4' energy: -121.816 flat angles C4'-P-C4' energy: -134.902 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: -151.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2025.882040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.882040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.882040 (E_RNA) where: Base-Base interactions energy: -1363.386 where: short stacking energy: -563.295 Base-Backbone interact. energy: -1.500 local terms energy: -660.996132 where: bonds (distance) C4'-P energy: -132.899 bonds (distance) P-C4' energy: -129.176 flat angles C4'-P-C4' energy: -141.764 flat angles P-C4'-P energy: -87.114 tors. eta vs tors. theta energy: -170.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1854.548568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.548568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.548568 (E_RNA) where: Base-Base interactions energy: -1247.935 where: short stacking energy: -564.340 Base-Backbone interact. energy: -3.692 local terms energy: -602.921983 where: bonds (distance) C4'-P energy: -107.523 bonds (distance) P-C4' energy: -117.595 flat angles C4'-P-C4' energy: -133.610 flat angles P-C4'-P energy: -86.989 tors. eta vs tors. theta energy: -157.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1704.303306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.303306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.303306 (E_RNA) where: Base-Base interactions energy: -1138.559 where: short stacking energy: -498.685 Base-Backbone interact. energy: 1.114 local terms energy: -566.858750 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -115.841 flat angles P-C4'-P energy: -65.690 tors. eta vs tors. theta energy: -146.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1458.353336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.353336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.353336 (E_RNA) where: Base-Base interactions energy: -962.879 where: short stacking energy: -408.159 Base-Backbone interact. energy: -3.244 local terms energy: -492.229634 where: bonds (distance) C4'-P energy: -112.637 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -121.456 flat angles P-C4'-P energy: -60.442 tors. eta vs tors. theta energy: -80.337 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: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1217.144237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.144237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.144237 (E_RNA) where: Base-Base interactions energy: -758.121 where: short stacking energy: -400.412 Base-Backbone interact. energy: -0.461 local terms energy: -458.561949 where: bonds (distance) C4'-P energy: -120.956 bonds (distance) P-C4' energy: -105.214 flat angles C4'-P-C4' energy: -96.402 flat angles P-C4'-P energy: -60.940 tors. eta vs tors. theta energy: -75.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1002.953880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.953880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.953880 (E_RNA) where: Base-Base interactions energy: -604.298 where: short stacking energy: -314.153 Base-Backbone interact. energy: 0.585 local terms energy: -399.240684 where: bonds (distance) C4'-P energy: -108.627 bonds (distance) P-C4' energy: -94.356 flat angles C4'-P-C4' energy: -97.493 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -39.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -610.038301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.038301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.038301 (E_RNA) where: Base-Base interactions energy: -284.626 where: short stacking energy: -191.555 Base-Backbone interact. energy: 2.366 local terms energy: -327.777762 where: bonds (distance) C4'-P energy: -86.601 bonds (distance) P-C4' energy: -100.586 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: 6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -490.112560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.112560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.112560 (E_RNA) where: Base-Base interactions energy: -174.992 where: short stacking energy: -130.361 Base-Backbone interact. energy: 6.952 local terms energy: -322.072864 where: bonds (distance) C4'-P energy: -92.787 bonds (distance) P-C4' energy: -113.117 flat angles C4'-P-C4' energy: -84.736 flat angles P-C4'-P energy: -51.559 tors. eta vs tors. theta energy: 20.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2162.709029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.709029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.709029 (E_RNA) where: Base-Base interactions energy: -1511.816 where: short stacking energy: -634.495 Base-Backbone interact. energy: -4.257 local terms energy: -646.635731 where: bonds (distance) C4'-P energy: -111.507 bonds (distance) P-C4' energy: -132.618 flat angles C4'-P-C4' energy: -137.415 flat angles P-C4'-P energy: -79.548 tors. eta vs tors. theta energy: -185.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2060.367116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.367116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.367116 (E_RNA) where: Base-Base interactions energy: -1455.009 where: short stacking energy: -587.586 Base-Backbone interact. energy: -2.184 local terms energy: -603.174365 where: bonds (distance) C4'-P energy: -119.689 bonds (distance) P-C4' energy: -114.018 flat angles C4'-P-C4' energy: -136.055 flat angles P-C4'-P energy: -78.983 tors. eta vs tors. theta energy: -154.430 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: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1981.911284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.911284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.911284 (E_RNA) where: Base-Base interactions energy: -1374.647 where: short stacking energy: -559.514 Base-Backbone interact. energy: -4.340 local terms energy: -602.925144 where: bonds (distance) C4'-P energy: -93.258 bonds (distance) P-C4' energy: -122.670 flat angles C4'-P-C4' energy: -140.315 flat angles P-C4'-P energy: -90.393 tors. eta vs tors. theta energy: -156.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1837.410276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.410276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.410276 (E_RNA) where: Base-Base interactions energy: -1238.057 where: short stacking energy: -551.539 Base-Backbone interact. energy: 0.075 local terms energy: -599.428546 where: bonds (distance) C4'-P energy: -123.826 bonds (distance) P-C4' energy: -112.195 flat angles C4'-P-C4' energy: -124.266 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -150.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1689.873549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.873549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.873549 (E_RNA) where: Base-Base interactions energy: -1133.308 where: short stacking energy: -511.086 Base-Backbone interact. energy: -0.101 local terms energy: -556.464620 where: bonds (distance) C4'-P energy: -115.131 bonds (distance) P-C4' energy: -114.138 flat angles C4'-P-C4' energy: -116.687 flat angles P-C4'-P energy: -80.937 tors. eta vs tors. theta energy: -129.572 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: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1413.317463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.317463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.317463 (E_RNA) where: Base-Base interactions energy: -941.909 where: short stacking energy: -436.189 Base-Backbone interact. energy: -0.920 local terms energy: -470.487579 where: bonds (distance) C4'-P energy: -102.449 bonds (distance) P-C4' energy: -102.534 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -63.347 tors. eta vs tors. theta energy: -90.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1247.929848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.929848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.929848 (E_RNA) where: Base-Base interactions energy: -774.143 where: short stacking energy: -368.654 Base-Backbone interact. energy: -3.515 local terms energy: -470.271815 where: bonds (distance) C4'-P energy: -98.889 bonds (distance) P-C4' energy: -100.251 flat angles C4'-P-C4' energy: -113.097 flat angles P-C4'-P energy: -83.720 tors. eta vs tors. theta energy: -74.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -963.985761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.985761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.985761 (E_RNA) where: Base-Base interactions energy: -561.152 where: short stacking energy: -269.497 Base-Backbone interact. energy: -0.559 local terms energy: -402.274801 where: bonds (distance) C4'-P energy: -106.005 bonds (distance) P-C4' energy: -106.984 flat angles C4'-P-C4' energy: -88.854 flat angles P-C4'-P energy: -68.584 tors. eta vs tors. theta energy: -31.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -641.321733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.321733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.321733 (E_RNA) where: Base-Base interactions energy: -303.325 where: short stacking energy: -199.575 Base-Backbone interact. energy: -0.265 local terms energy: -337.731723 where: bonds (distance) C4'-P energy: -86.627 bonds (distance) P-C4' energy: -108.747 flat angles C4'-P-C4' energy: -81.784 flat angles P-C4'-P energy: -53.658 tors. eta vs tors. theta energy: -6.916 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: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -538.472291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.472291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.472291 (E_RNA) where: Base-Base interactions energy: -200.736 where: short stacking energy: -147.311 Base-Backbone interact. energy: -0.641 local terms energy: -337.095246 where: bonds (distance) C4'-P energy: -82.849 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -85.123 flat angles P-C4'-P energy: -63.510 tors. eta vs tors. theta energy: 4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2188.113373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.113373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.113373 (E_RNA) where: Base-Base interactions energy: -1520.769 where: short stacking energy: -631.440 Base-Backbone interact. energy: -5.001 local terms energy: -662.343407 where: bonds (distance) C4'-P energy: -128.442 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -139.407 flat angles P-C4'-P energy: -86.384 tors. eta vs tors. theta energy: -182.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2045.776012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.776012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.776012 (E_RNA) where: Base-Base interactions energy: -1448.139 where: short stacking energy: -589.604 Base-Backbone interact. energy: -7.585 local terms energy: -590.051507 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -112.516 flat angles C4'-P-C4' energy: -121.758 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -153.769 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: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2013.166793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.166793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.166793 (E_RNA) where: Base-Base interactions energy: -1373.402 where: short stacking energy: -582.665 Base-Backbone interact. energy: -3.680 local terms energy: -636.084695 where: bonds (distance) C4'-P energy: -104.291 bonds (distance) P-C4' energy: -127.232 flat angles C4'-P-C4' energy: -136.525 flat angles P-C4'-P energy: -96.287 tors. eta vs tors. theta energy: -171.751 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: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1822.792080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.792080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.792080 (E_RNA) where: Base-Base interactions energy: -1244.725 where: short stacking energy: -547.488 Base-Backbone interact. energy: 1.676 local terms energy: -579.742929 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -134.929 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: -145.771 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1672.469964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.469964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.469964 (E_RNA) where: Base-Base interactions energy: -1107.312 where: short stacking energy: -494.978 Base-Backbone interact. energy: -2.035 local terms energy: -563.122677 where: bonds (distance) C4'-P energy: -105.749 bonds (distance) P-C4' energy: -121.903 flat angles C4'-P-C4' energy: -119.416 flat angles P-C4'-P energy: -89.469 tors. eta vs tors. theta energy: -126.586 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: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1461.016645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.016645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.016645 (E_RNA) where: Base-Base interactions energy: -948.839 where: short stacking energy: -426.630 Base-Backbone interact. energy: 1.954 local terms energy: -514.132191 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -117.305 flat angles C4'-P-C4' energy: -104.658 flat angles P-C4'-P energy: -83.031 tors. eta vs tors. theta energy: -104.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1213.140641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.140641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.140641 (E_RNA) where: Base-Base interactions energy: -741.734 where: short stacking energy: -349.752 Base-Backbone interact. energy: 1.462 local terms energy: -472.868161 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -116.426 flat angles C4'-P-C4' energy: -111.713 flat angles P-C4'-P energy: -73.419 tors. eta vs tors. theta energy: -66.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -974.633409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.633409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.633409 (E_RNA) where: Base-Base interactions energy: -545.482 where: short stacking energy: -301.290 Base-Backbone interact. energy: -1.536 local terms energy: -427.615219 where: bonds (distance) C4'-P energy: -119.984 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -101.311 flat angles P-C4'-P energy: -63.543 tors. eta vs tors. theta energy: -37.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -634.269317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.269317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.269317 (E_RNA) where: Base-Base interactions energy: -296.047 where: short stacking energy: -176.193 Base-Backbone interact. energy: 2.029 local terms energy: -340.251388 where: bonds (distance) C4'-P energy: -86.061 bonds (distance) P-C4' energy: -123.220 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -44.844 tors. eta vs tors. theta energy: 16.251 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: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -452.755919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.755919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.755919 (E_RNA) where: Base-Base interactions energy: -172.901 where: short stacking energy: -141.146 Base-Backbone interact. energy: 1.412 local terms energy: -281.267124 where: bonds (distance) C4'-P energy: -107.440 bonds (distance) P-C4' energy: -105.408 flat angles C4'-P-C4' energy: -67.961 flat angles P-C4'-P energy: -33.688 tors. eta vs tors. theta energy: 33.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2187.753967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.753967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.753967 (E_RNA) where: Base-Base interactions energy: -1515.235 where: short stacking energy: -633.114 Base-Backbone interact. energy: 0.066 local terms energy: -672.585400 where: bonds (distance) C4'-P energy: -120.461 bonds (distance) P-C4' energy: -138.554 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -85.711 tors. eta vs tors. theta energy: -189.024 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: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2020.337690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.337690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.337690 (E_RNA) where: Base-Base interactions energy: -1376.867 where: short stacking energy: -587.763 Base-Backbone interact. energy: -1.499 local terms energy: -641.972160 where: bonds (distance) C4'-P energy: -114.754 bonds (distance) P-C4' energy: -131.922 flat angles C4'-P-C4' energy: -134.819 flat angles P-C4'-P energy: -82.412 tors. eta vs tors. theta energy: -178.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2001.508242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.508242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.508242 (E_RNA) where: Base-Base interactions energy: -1390.814 where: short stacking energy: -573.020 Base-Backbone interact. energy: -1.258 local terms energy: -609.435832 where: bonds (distance) C4'-P energy: -113.146 bonds (distance) P-C4' energy: -125.524 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -83.834 tors. eta vs tors. theta energy: -146.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1846.843759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.843759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.843759 (E_RNA) where: Base-Base interactions energy: -1233.324 where: short stacking energy: -553.996 Base-Backbone interact. energy: -0.888 local terms energy: -612.631423 where: bonds (distance) C4'-P energy: -116.477 bonds (distance) P-C4' energy: -121.986 flat angles C4'-P-C4' energy: -135.405 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: -151.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1635.657568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.657568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.657568 (E_RNA) where: Base-Base interactions energy: -1075.161 where: short stacking energy: -509.714 Base-Backbone interact. energy: -1.501 local terms energy: -558.995335 where: bonds (distance) C4'-P energy: -114.487 bonds (distance) P-C4' energy: -115.499 flat angles C4'-P-C4' energy: -127.928 flat angles P-C4'-P energy: -78.182 tors. eta vs tors. theta energy: -122.899 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: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1415.942278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.942278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.942278 (E_RNA) where: Base-Base interactions energy: -924.507 where: short stacking energy: -417.283 Base-Backbone interact. energy: 0.717 local terms energy: -492.151952 where: bonds (distance) C4'-P energy: -112.675 bonds (distance) P-C4' energy: -102.500 flat angles C4'-P-C4' energy: -108.658 flat angles P-C4'-P energy: -64.453 tors. eta vs tors. theta energy: -103.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1230.813576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.813576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.813576 (E_RNA) where: Base-Base interactions energy: -760.118 where: short stacking energy: -368.849 Base-Backbone interact. energy: 0.121 local terms energy: -470.816598 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -110.801 flat angles C4'-P-C4' energy: -117.760 flat angles P-C4'-P energy: -60.672 tors. eta vs tors. theta energy: -68.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -965.304270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.304270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.304270 (E_RNA) where: Base-Base interactions energy: -570.947 where: short stacking energy: -303.421 Base-Backbone interact. energy: -1.926 local terms energy: -392.431665 where: bonds (distance) C4'-P energy: -112.720 bonds (distance) P-C4' energy: -104.121 flat angles C4'-P-C4' energy: -100.928 flat angles P-C4'-P energy: -40.329 tors. eta vs tors. theta energy: -34.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -631.096341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.096341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.096341 (E_RNA) where: Base-Base interactions energy: -297.109 where: short stacking energy: -179.081 Base-Backbone interact. energy: -1.721 local terms energy: -332.266810 where: bonds (distance) C4'-P energy: -93.194 bonds (distance) P-C4' energy: -106.515 flat angles C4'-P-C4' energy: -95.021 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: 11.875 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: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -495.263415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.263415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.263415 (E_RNA) where: Base-Base interactions energy: -170.857 where: short stacking energy: -146.537 Base-Backbone interact. energy: -1.280 local terms energy: -323.126403 where: bonds (distance) C4'-P energy: -99.201 bonds (distance) P-C4' energy: -107.438 flat angles C4'-P-C4' energy: -88.817 flat angles P-C4'-P energy: -35.198 tors. eta vs tors. theta energy: 7.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2199.883905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.883905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.883905 (E_RNA) where: Base-Base interactions energy: -1532.415 where: short stacking energy: -622.815 Base-Backbone interact. energy: 0.712 local terms energy: -668.181299 where: bonds (distance) C4'-P energy: -123.528 bonds (distance) P-C4' energy: -130.937 flat angles C4'-P-C4' energy: -135.947 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: -192.970 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2027.098228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.098228 (E_RNA) where: Base-Base interactions energy: -1365.756 where: short stacking energy: -586.799 Base-Backbone interact. energy: 2.095 local terms energy: -663.437282 where: bonds (distance) C4'-P energy: -124.919 bonds (distance) P-C4' energy: -135.789 flat angles C4'-P-C4' energy: -127.305 flat angles P-C4'-P energy: -98.537 tors. eta vs tors. theta energy: -176.887 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: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1933.753412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.753412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.753412 (E_RNA) where: Base-Base interactions energy: -1354.328 where: short stacking energy: -563.642 Base-Backbone interact. energy: -3.512 local terms energy: -575.912687 where: bonds (distance) C4'-P energy: -118.514 bonds (distance) P-C4' energy: -113.771 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -70.309 tors. eta vs tors. theta energy: -146.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1858.349585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.349585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.349585 (E_RNA) where: Base-Base interactions energy: -1266.023 where: short stacking energy: -540.966 Base-Backbone interact. energy: -4.530 local terms energy: -587.796676 where: bonds (distance) C4'-P energy: -112.714 bonds (distance) P-C4' energy: -107.894 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -155.427 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: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1623.433480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.433480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.433480 (E_RNA) where: Base-Base interactions energy: -1069.731 where: short stacking energy: -486.853 Base-Backbone interact. energy: -3.044 local terms energy: -550.658448 where: bonds (distance) C4'-P energy: -106.645 bonds (distance) P-C4' energy: -115.942 flat angles C4'-P-C4' energy: -128.130 flat angles P-C4'-P energy: -72.037 tors. eta vs tors. theta energy: -127.903 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: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1436.816573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.816573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.816573 (E_RNA) where: Base-Base interactions energy: -892.682 where: short stacking energy: -396.033 Base-Backbone interact. energy: -2.688 local terms energy: -541.446112 where: bonds (distance) C4'-P energy: -110.540 bonds (distance) P-C4' energy: -120.372 flat angles C4'-P-C4' energy: -137.852 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -95.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1249.637689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.637689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.637689 (E_RNA) where: Base-Base interactions energy: -788.555 where: short stacking energy: -355.385 Base-Backbone interact. energy: -2.351 local terms energy: -458.731795 where: bonds (distance) C4'-P energy: -104.918 bonds (distance) P-C4' energy: -108.296 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -81.761 tors. eta vs tors. theta energy: -61.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -995.832223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.832223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.832223 (E_RNA) where: Base-Base interactions energy: -581.767 where: short stacking energy: -288.326 Base-Backbone interact. energy: -4.618 local terms energy: -409.447823 where: bonds (distance) C4'-P energy: -106.607 bonds (distance) P-C4' energy: -98.010 flat angles C4'-P-C4' energy: -102.021 flat angles P-C4'-P energy: -62.172 tors. eta vs tors. theta energy: -40.637 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: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -617.752673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.752673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.752673 (E_RNA) where: Base-Base interactions energy: -292.710 where: short stacking energy: -196.588 Base-Backbone interact. energy: 1.074 local terms energy: -326.117093 where: bonds (distance) C4'-P energy: -97.680 bonds (distance) P-C4' energy: -105.849 flat angles C4'-P-C4' energy: -86.678 flat angles P-C4'-P energy: -46.541 tors. eta vs tors. theta energy: 10.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -485.752990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.752990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.752990 (E_RNA) where: Base-Base interactions energy: -181.181 where: short stacking energy: -139.952 Base-Backbone interact. energy: 3.552 local terms energy: -308.123680 where: bonds (distance) C4'-P energy: -98.409 bonds (distance) P-C4' energy: -91.007 flat angles C4'-P-C4' energy: -94.337 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: 30.012 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: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2182.404111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.404111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.404111 (E_RNA) where: Base-Base interactions energy: -1511.424 where: short stacking energy: -647.548 Base-Backbone interact. energy: -4.136 local terms energy: -666.844798 where: bonds (distance) C4'-P energy: -118.938 bonds (distance) P-C4' energy: -130.664 flat angles C4'-P-C4' energy: -147.380 flat angles P-C4'-P energy: -82.258 tors. eta vs tors. theta energy: -187.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2084.689452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.689452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.689452 (E_RNA) where: Base-Base interactions energy: -1418.653 where: short stacking energy: -621.627 Base-Backbone interact. energy: -2.996 local terms energy: -663.039972 where: bonds (distance) C4'-P energy: -122.453 bonds (distance) P-C4' energy: -127.362 flat angles C4'-P-C4' energy: -142.919 flat angles P-C4'-P energy: -92.956 tors. eta vs tors. theta energy: -177.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1916.763992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.763992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.763992 (E_RNA) where: Base-Base interactions energy: -1321.569 where: short stacking energy: -558.669 Base-Backbone interact. energy: -4.151 local terms energy: -591.043628 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -120.043 flat angles C4'-P-C4' energy: -129.660 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -144.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1857.084494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.084494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.084494 (E_RNA) where: Base-Base interactions energy: -1238.809 where: short stacking energy: -535.914 Base-Backbone interact. energy: -1.880 local terms energy: -616.395427 where: bonds (distance) C4'-P energy: -131.155 bonds (distance) P-C4' energy: -118.567 flat angles C4'-P-C4' energy: -126.106 flat angles P-C4'-P energy: -84.901 tors. eta vs tors. theta energy: -155.667 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: 167 Temperature: 1.100000 Total energy: -1617.979707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.979707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.979707 (E_RNA) where: Base-Base interactions energy: -1087.077 where: short stacking energy: -481.961 Base-Backbone interact. energy: -0.930 local terms energy: -529.971998 where: bonds (distance) C4'-P energy: -103.728 bonds (distance) P-C4' energy: -104.332 flat angles C4'-P-C4' energy: -128.152 flat angles P-C4'-P energy: -67.533 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: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1344.184012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.184012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.184012 (E_RNA) where: Base-Base interactions energy: -884.211 where: short stacking energy: -405.649 Base-Backbone interact. energy: -4.735 local terms energy: -455.238016 where: bonds (distance) C4'-P energy: -96.629 bonds (distance) P-C4' energy: -111.865 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -62.249 tors. eta vs tors. theta energy: -73.886 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: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1339.390475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.390475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.390475 (E_RNA) where: Base-Base interactions energy: -865.208 where: short stacking energy: -393.615 Base-Backbone interact. energy: 3.239 local terms energy: -477.420960 where: bonds (distance) C4'-P energy: -107.608 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -71.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -974.542414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.542414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.542414 (E_RNA) where: Base-Base interactions energy: -556.426 where: short stacking energy: -290.022 Base-Backbone interact. energy: 1.029 local terms energy: -419.145202 where: bonds (distance) C4'-P energy: -101.440 bonds (distance) P-C4' energy: -106.816 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: -29.933 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: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -629.452966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.452966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.452966 (E_RNA) where: Base-Base interactions energy: -279.037 where: short stacking energy: -182.632 Base-Backbone interact. energy: 1.747 local terms energy: -352.162834 where: bonds (distance) C4'-P energy: -95.932 bonds (distance) P-C4' energy: -111.630 flat angles C4'-P-C4' energy: -88.572 flat angles P-C4'-P energy: -42.946 tors. eta vs tors. theta energy: -13.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -480.177780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.177780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.177780 (E_RNA) where: Base-Base interactions energy: -145.344 where: short stacking energy: -133.496 Base-Backbone interact. energy: -0.512 local terms energy: -334.321854 where: bonds (distance) C4'-P energy: -96.747 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -93.652 flat angles P-C4'-P energy: -55.892 tors. eta vs tors. theta energy: 22.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2162.443959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.443959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.443959 (E_RNA) where: Base-Base interactions energy: -1490.252 where: short stacking energy: -623.562 Base-Backbone interact. energy: -3.638 local terms energy: -668.554305 where: bonds (distance) C4'-P energy: -131.923 bonds (distance) P-C4' energy: -125.074 flat angles C4'-P-C4' energy: -144.613 flat angles P-C4'-P energy: -87.248 tors. eta vs tors. theta energy: -179.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2064.115680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.115680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.115680 (E_RNA) where: Base-Base interactions energy: -1408.850 where: short stacking energy: -582.684 Base-Backbone interact. energy: -3.151 local terms energy: -652.114689 where: bonds (distance) C4'-P energy: -132.911 bonds (distance) P-C4' energy: -133.428 flat angles C4'-P-C4' energy: -128.705 flat angles P-C4'-P energy: -76.606 tors. eta vs tors. theta energy: -180.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1923.471050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.471050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.471050 (E_RNA) where: Base-Base interactions energy: -1320.205 where: short stacking energy: -573.489 Base-Backbone interact. energy: -2.178 local terms energy: -601.088007 where: bonds (distance) C4'-P energy: -116.576 bonds (distance) P-C4' energy: -117.972 flat angles C4'-P-C4' energy: -125.457 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: -152.007 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: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1886.194661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.194661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.194661 (E_RNA) where: Base-Base interactions energy: -1248.582 where: short stacking energy: -568.729 Base-Backbone interact. energy: -4.472 local terms energy: -633.141366 where: bonds (distance) C4'-P energy: -122.650 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -133.740 flat angles P-C4'-P energy: -103.052 tors. eta vs tors. theta energy: -159.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1677.812146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.812146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.812146 (E_RNA) where: Base-Base interactions energy: -1101.339 where: short stacking energy: -499.198 Base-Backbone interact. energy: -5.642 local terms energy: -570.831291 where: bonds (distance) C4'-P energy: -119.114 bonds (distance) P-C4' energy: -114.797 flat angles C4'-P-C4' energy: -114.191 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -132.560 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: 10 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1374.720597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.720597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.720597 (E_RNA) where: Base-Base interactions energy: -849.635 where: short stacking energy: -369.101 Base-Backbone interact. energy: -4.481 local terms energy: -520.604826 where: bonds (distance) C4'-P energy: -118.505 bonds (distance) P-C4' energy: -114.934 flat angles C4'-P-C4' energy: -128.979 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -86.811 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: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1356.081842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.081842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.081842 (E_RNA) where: Base-Base interactions energy: -844.982 where: short stacking energy: -416.594 Base-Backbone interact. energy: -2.733 local terms energy: -508.367201 where: bonds (distance) C4'-P energy: -110.404 bonds (distance) P-C4' energy: -113.952 flat angles C4'-P-C4' energy: -124.849 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -98.034 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: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -986.535327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.535327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.535327 (E_RNA) where: Base-Base interactions energy: -552.541 where: short stacking energy: -287.434 Base-Backbone interact. energy: 0.743 local terms energy: -434.737426 where: bonds (distance) C4'-P energy: -92.726 bonds (distance) P-C4' energy: -106.199 flat angles C4'-P-C4' energy: -112.045 flat angles P-C4'-P energy: -73.809 tors. eta vs tors. theta energy: -49.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -631.001048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.001048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.001048 (E_RNA) where: Base-Base interactions energy: -268.396 where: short stacking energy: -167.935 Base-Backbone interact. energy: 0.398 local terms energy: -363.003849 where: bonds (distance) C4'-P energy: -98.868 bonds (distance) P-C4' energy: -127.437 flat angles C4'-P-C4' energy: -94.325 flat angles P-C4'-P energy: -58.335 tors. eta vs tors. theta energy: 15.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -480.927989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.927989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.927989 (E_RNA) where: Base-Base interactions energy: -172.814 where: short stacking energy: -133.590 Base-Backbone interact. energy: -2.990 local terms energy: -305.123775 where: bonds (distance) C4'-P energy: -88.289 bonds (distance) P-C4' energy: -107.268 flat angles C4'-P-C4' energy: -93.947 flat angles P-C4'-P energy: -34.191 tors. eta vs tors. theta energy: 18.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2190.500349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.500349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.500349 (E_RNA) where: Base-Base interactions energy: -1513.938 where: short stacking energy: -603.517 Base-Backbone interact. energy: -0.623 local terms energy: -675.939718 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -126.707 flat angles C4'-P-C4' energy: -143.432 flat angles P-C4'-P energy: -96.827 tors. eta vs tors. theta energy: -188.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2073.539626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.539626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.539626 (E_RNA) where: Base-Base interactions energy: -1421.243 where: short stacking energy: -617.128 Base-Backbone interact. energy: -4.526 local terms energy: -647.769766 where: bonds (distance) C4'-P energy: -103.938 bonds (distance) P-C4' energy: -126.011 flat angles C4'-P-C4' energy: -138.682 flat angles P-C4'-P energy: -94.905 tors. eta vs tors. theta energy: -184.234 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1902.956029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.956029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.956029 (E_RNA) where: Base-Base interactions energy: -1289.687 where: short stacking energy: -549.300 Base-Backbone interact. energy: -5.258 local terms energy: -608.010945 where: bonds (distance) C4'-P energy: -127.323 bonds (distance) P-C4' energy: -115.085 flat angles C4'-P-C4' energy: -130.546 flat angles P-C4'-P energy: -95.011 tors. eta vs tors. theta energy: -140.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1878.007671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.007671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.007671 (E_RNA) where: Base-Base interactions energy: -1262.284 where: short stacking energy: -570.447 Base-Backbone interact. energy: -4.518 local terms energy: -611.205856 where: bonds (distance) C4'-P energy: -119.169 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -135.258 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: -156.493 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: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1642.940549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.940549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.940549 (E_RNA) where: Base-Base interactions energy: -1086.313 where: short stacking energy: -474.588 Base-Backbone interact. energy: -2.326 local terms energy: -554.300851 where: bonds (distance) C4'-P energy: -98.904 bonds (distance) P-C4' energy: -117.703 flat angles C4'-P-C4' energy: -133.719 flat angles P-C4'-P energy: -77.735 tors. eta vs tors. theta energy: -126.241 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: 169 Temperature: 1.150000 Total energy: -1467.208022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.208022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.208022 (E_RNA) where: Base-Base interactions energy: -932.320 where: short stacking energy: -406.668 Base-Backbone interact. energy: 3.023 local terms energy: -537.910864 where: bonds (distance) C4'-P energy: -112.916 bonds (distance) P-C4' energy: -105.801 flat angles C4'-P-C4' energy: -124.587 flat angles P-C4'-P energy: -80.967 tors. eta vs tors. theta energy: -113.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1340.489853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.489853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.489853 (E_RNA) where: Base-Base interactions energy: -857.100 where: short stacking energy: -397.819 Base-Backbone interact. energy: 4.423 local terms energy: -487.813096 where: bonds (distance) C4'-P energy: -100.663 bonds (distance) P-C4' energy: -115.600 flat angles C4'-P-C4' energy: -112.248 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -85.207 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: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -984.662748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.662748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.662748 (E_RNA) where: Base-Base interactions energy: -566.735 where: short stacking energy: -293.728 Base-Backbone interact. energy: 0.516 local terms energy: -418.444012 where: bonds (distance) C4'-P energy: -100.829 bonds (distance) P-C4' energy: -109.495 flat angles C4'-P-C4' energy: -86.954 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -41.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -640.244415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.244415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.244415 (E_RNA) where: Base-Base interactions energy: -291.804 where: short stacking energy: -199.689 Base-Backbone interact. energy: -2.511 local terms energy: -345.929628 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -98.751 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: 7.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -521.758976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.758976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.758976 (E_RNA) where: Base-Base interactions energy: -206.343 where: short stacking energy: -144.026 Base-Backbone interact. energy: 2.975 local terms energy: -318.391356 where: bonds (distance) C4'-P energy: -114.376 bonds (distance) P-C4' energy: -104.715 flat angles C4'-P-C4' energy: -83.793 flat angles P-C4'-P energy: -47.672 tors. eta vs tors. theta energy: 32.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2188.979705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.979705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.979705 (E_RNA) where: Base-Base interactions energy: -1525.976 where: short stacking energy: -647.423 Base-Backbone interact. energy: -3.902 local terms energy: -659.102154 where: bonds (distance) C4'-P energy: -103.155 bonds (distance) P-C4' energy: -131.101 flat angles C4'-P-C4' energy: -144.333 flat angles P-C4'-P energy: -93.686 tors. eta vs tors. theta energy: -186.827 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: 170 Temperature: 0.950000 Total energy: -2078.948092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.948092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.948092 (E_RNA) where: Base-Base interactions energy: -1426.387 where: short stacking energy: -608.200 Base-Backbone interact. energy: -3.040 local terms energy: -649.521138 where: bonds (distance) C4'-P energy: -124.800 bonds (distance) P-C4' energy: -106.733 flat angles C4'-P-C4' energy: -140.720 flat angles P-C4'-P energy: -106.708 tors. eta vs tors. theta energy: -170.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1902.125613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.125613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.125613 (E_RNA) where: Base-Base interactions energy: -1280.219 where: short stacking energy: -560.049 Base-Backbone interact. energy: -1.848 local terms energy: -620.058603 where: bonds (distance) C4'-P energy: -112.642 bonds (distance) P-C4' energy: -129.935 flat angles C4'-P-C4' energy: -141.912 flat angles P-C4'-P energy: -87.867 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: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1874.840144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.840144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.840144 (E_RNA) where: Base-Base interactions energy: -1266.210 where: short stacking energy: -551.735 Base-Backbone interact. energy: -2.786 local terms energy: -605.843674 where: bonds (distance) C4'-P energy: -106.048 bonds (distance) P-C4' energy: -108.503 flat angles C4'-P-C4' energy: -135.901 flat angles P-C4'-P energy: -92.364 tors. eta vs tors. theta energy: -163.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1649.335772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.335772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.335772 (E_RNA) where: Base-Base interactions energy: -1064.616 where: short stacking energy: -509.825 Base-Backbone interact. energy: 0.823 local terms energy: -585.543393 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -126.202 flat angles C4'-P-C4' energy: -137.259 flat angles P-C4'-P energy: -83.019 tors. eta vs tors. theta energy: -127.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1443.518501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.518501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.518501 (E_RNA) where: Base-Base interactions energy: -965.886 where: short stacking energy: -393.668 Base-Backbone interact. energy: -1.518 local terms energy: -476.114285 where: bonds (distance) C4'-P energy: -85.210 bonds (distance) P-C4' energy: -110.025 flat angles C4'-P-C4' energy: -106.878 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -103.129 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: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1302.422944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.422944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.422944 (E_RNA) where: Base-Base interactions energy: -824.939 where: short stacking energy: -373.337 Base-Backbone interact. energy: -2.093 local terms energy: -475.391715 where: bonds (distance) C4'-P energy: -102.516 bonds (distance) P-C4' energy: -114.005 flat angles C4'-P-C4' energy: -106.331 flat angles P-C4'-P energy: -82.328 tors. eta vs tors. theta energy: -70.211 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: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -937.378680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.378680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.378680 (E_RNA) where: Base-Base interactions energy: -513.079 where: short stacking energy: -249.477 Base-Backbone interact. energy: -2.647 local terms energy: -421.653359 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -125.159 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -42.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -616.822303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.822303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.822303 (E_RNA) where: Base-Base interactions energy: -282.135 where: short stacking energy: -177.875 Base-Backbone interact. energy: -1.145 local terms energy: -333.541936 where: bonds (distance) C4'-P energy: -100.116 bonds (distance) P-C4' energy: -107.970 flat angles C4'-P-C4' energy: -75.448 flat angles P-C4'-P energy: -49.136 tors. eta vs tors. theta energy: -0.872 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: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -550.176705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.176705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.176705 (E_RNA) where: Base-Base interactions energy: -244.837 where: short stacking energy: -142.927 Base-Backbone interact. energy: 2.938 local terms energy: -308.277944 where: bonds (distance) C4'-P energy: -98.828 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -85.398 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: 29.289 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: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2161.899409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.899409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.899409 (E_RNA) where: Base-Base interactions energy: -1495.837 where: short stacking energy: -617.032 Base-Backbone interact. energy: 1.873 local terms energy: -667.936014 where: bonds (distance) C4'-P energy: -122.374 bonds (distance) P-C4' energy: -126.099 flat angles C4'-P-C4' energy: -135.792 flat angles P-C4'-P energy: -93.419 tors. eta vs tors. theta energy: -190.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2101.843330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.843330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.843330 (E_RNA) where: Base-Base interactions energy: -1423.454 where: short stacking energy: -577.597 Base-Backbone interact. energy: -3.348 local terms energy: -675.041009 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -131.244 flat angles C4'-P-C4' energy: -130.077 flat angles P-C4'-P energy: -98.793 tors. eta vs tors. theta energy: -182.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1899.038990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.038990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.038990 (E_RNA) where: Base-Base interactions energy: -1304.094 where: short stacking energy: -576.195 Base-Backbone interact. energy: -2.451 local terms energy: -592.493890 where: bonds (distance) C4'-P energy: -109.782 bonds (distance) P-C4' energy: -121.978 flat angles C4'-P-C4' energy: -135.219 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -143.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1872.401240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.401240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.401240 (E_RNA) where: Base-Base interactions energy: -1242.481 where: short stacking energy: -528.282 Base-Backbone interact. energy: -2.442 local terms energy: -627.478066 where: bonds (distance) C4'-P energy: -131.117 bonds (distance) P-C4' energy: -128.112 flat angles C4'-P-C4' energy: -133.249 flat angles P-C4'-P energy: -79.610 tors. eta vs tors. theta energy: -155.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1658.926382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.926382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.926382 (E_RNA) where: Base-Base interactions energy: -1087.710 where: short stacking energy: -519.071 Base-Backbone interact. energy: 0.424 local terms energy: -571.640445 where: bonds (distance) C4'-P energy: -108.262 bonds (distance) P-C4' energy: -118.140 flat angles C4'-P-C4' energy: -128.185 flat angles P-C4'-P energy: -86.539 tors. eta vs tors. theta energy: -130.514 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: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1431.281853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.281853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.281853 (E_RNA) where: Base-Base interactions energy: -944.163 where: short stacking energy: -441.749 Base-Backbone interact. energy: 2.169 local terms energy: -489.287962 where: bonds (distance) C4'-P energy: -99.022 bonds (distance) P-C4' energy: -100.293 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: -103.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1258.796774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.796774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.796774 (E_RNA) where: Base-Base interactions energy: -777.348 where: short stacking energy: -389.745 Base-Backbone interact. energy: -2.197 local terms energy: -479.251273 where: bonds (distance) C4'-P energy: -106.634 bonds (distance) P-C4' energy: -93.160 flat angles C4'-P-C4' energy: -120.582 flat angles P-C4'-P energy: -81.264 tors. eta vs tors. theta energy: -77.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -978.988237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.988237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.988237 (E_RNA) where: Base-Base interactions energy: -564.280 where: short stacking energy: -306.299 Base-Backbone interact. energy: 0.038 local terms energy: -414.745829 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -104.511 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -63.701 tors. eta vs tors. theta energy: -20.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -652.916612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.916612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.916612 (E_RNA) where: Base-Base interactions energy: -280.272 where: short stacking energy: -166.059 Base-Backbone interact. energy: 0.088 local terms energy: -372.733124 where: bonds (distance) C4'-P energy: -113.332 bonds (distance) P-C4' energy: -124.234 flat angles C4'-P-C4' energy: -81.918 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -464.925701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.925701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.925701 (E_RNA) where: Base-Base interactions energy: -146.506 where: short stacking energy: -123.945 Base-Backbone interact. energy: 5.264 local terms energy: -323.683526 where: bonds (distance) C4'-P energy: -94.177 bonds (distance) P-C4' energy: -103.575 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -60.561 tors. eta vs tors. theta energy: 25.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2138.090384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.090384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.090384 (E_RNA) where: Base-Base interactions energy: -1456.696 where: short stacking energy: -613.128 Base-Backbone interact. energy: -3.428 local terms energy: -677.966716 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -129.567 flat angles C4'-P-C4' energy: -142.588 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -181.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2076.866784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.866784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.866784 (E_RNA) where: Base-Base interactions energy: -1396.295 where: short stacking energy: -590.627 Base-Backbone interact. energy: -0.955 local terms energy: -679.616931 where: bonds (distance) C4'-P energy: -126.145 bonds (distance) P-C4' energy: -143.289 flat angles C4'-P-C4' energy: -143.696 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -171.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1943.596812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.596812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.596812 (E_RNA) where: Base-Base interactions energy: -1354.260 where: short stacking energy: -549.518 Base-Backbone interact. energy: 0.662 local terms energy: -589.998610 where: bonds (distance) C4'-P energy: -117.848 bonds (distance) P-C4' energy: -115.995 flat angles C4'-P-C4' energy: -129.229 flat angles P-C4'-P energy: -84.955 tors. eta vs tors. theta energy: -141.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1877.092019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.092019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.092019 (E_RNA) where: Base-Base interactions energy: -1274.457 where: short stacking energy: -561.240 Base-Backbone interact. energy: -2.143 local terms energy: -600.491398 where: bonds (distance) C4'-P energy: -125.835 bonds (distance) P-C4' energy: -120.100 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -153.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1712.221158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.221158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.221158 (E_RNA) where: Base-Base interactions energy: -1142.616 where: short stacking energy: -502.144 Base-Backbone interact. energy: 1.634 local terms energy: -571.239790 where: bonds (distance) C4'-P energy: -104.296 bonds (distance) P-C4' energy: -104.531 flat angles C4'-P-C4' energy: -129.044 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -132.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1434.168815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.168815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.168815 (E_RNA) where: Base-Base interactions energy: -913.682 where: short stacking energy: -426.197 Base-Backbone interact. energy: -0.611 local terms energy: -519.875637 where: bonds (distance) C4'-P energy: -102.332 bonds (distance) P-C4' energy: -115.325 flat angles C4'-P-C4' energy: -122.311 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -98.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1243.982177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.982177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.982177 (E_RNA) where: Base-Base interactions energy: -772.798 where: short stacking energy: -346.839 Base-Backbone interact. energy: 1.349 local terms energy: -472.534034 where: bonds (distance) C4'-P energy: -132.383 bonds (distance) P-C4' energy: -110.495 flat angles C4'-P-C4' energy: -92.037 flat angles P-C4'-P energy: -75.388 tors. eta vs tors. theta energy: -62.231 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: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -950.041894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.041894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.041894 (E_RNA) where: Base-Base interactions energy: -563.119 where: short stacking energy: -296.804 Base-Backbone interact. energy: 0.978 local terms energy: -387.901476 where: bonds (distance) C4'-P energy: -88.487 bonds (distance) P-C4' energy: -103.404 flat angles C4'-P-C4' energy: -99.051 flat angles P-C4'-P energy: -61.318 tors. eta vs tors. theta energy: -35.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -702.744778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.744778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.744778 (E_RNA) where: Base-Base interactions energy: -338.652 where: short stacking energy: -204.499 Base-Backbone interact. energy: 0.009 local terms energy: -364.101842 where: bonds (distance) C4'-P energy: -103.052 bonds (distance) P-C4' energy: -108.414 flat angles C4'-P-C4' energy: -98.669 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -10.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -497.378917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.378917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.378917 (E_RNA) where: Base-Base interactions energy: -174.453 where: short stacking energy: -141.632 Base-Backbone interact. energy: -2.425 local terms energy: -320.500636 where: bonds (distance) C4'-P energy: -94.315 bonds (distance) P-C4' energy: -104.176 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -36.717 tors. eta vs tors. theta energy: 17.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2168.736578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.736578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.736578 (E_RNA) where: Base-Base interactions energy: -1484.558 where: short stacking energy: -620.585 Base-Backbone interact. energy: -3.936 local terms energy: -680.242231 where: bonds (distance) C4'-P energy: -123.489 bonds (distance) P-C4' energy: -124.719 flat angles C4'-P-C4' energy: -154.028 flat angles P-C4'-P energy: -91.948 tors. eta vs tors. theta energy: -186.059 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: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2076.110525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.110525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.110525 (E_RNA) where: Base-Base interactions energy: -1401.557 where: short stacking energy: -620.285 Base-Backbone interact. energy: -2.043 local terms energy: -672.511193 where: bonds (distance) C4'-P energy: -121.397 bonds (distance) P-C4' energy: -127.466 flat angles C4'-P-C4' energy: -143.782 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -182.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1926.690522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.690522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.690522 (E_RNA) where: Base-Base interactions energy: -1334.600 where: short stacking energy: -562.905 Base-Backbone interact. energy: -4.292 local terms energy: -587.799040 where: bonds (distance) C4'-P energy: -101.223 bonds (distance) P-C4' energy: -122.177 flat angles C4'-P-C4' energy: -133.910 flat angles P-C4'-P energy: -79.914 tors. eta vs tors. theta energy: -150.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1877.295043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.295043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.295043 (E_RNA) where: Base-Base interactions energy: -1270.730 where: short stacking energy: -555.207 Base-Backbone interact. energy: 0.412 local terms energy: -606.977161 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -130.381 flat angles C4'-P-C4' energy: -132.847 flat angles P-C4'-P energy: -78.564 tors. eta vs tors. theta energy: -156.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1670.819154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.819154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.819154 (E_RNA) where: Base-Base interactions energy: -1099.130 where: short stacking energy: -494.346 Base-Backbone interact. energy: -2.427 local terms energy: -569.262324 where: bonds (distance) C4'-P energy: -102.139 bonds (distance) P-C4' energy: -123.896 flat angles C4'-P-C4' energy: -129.661 flat angles P-C4'-P energy: -86.470 tors. eta vs tors. theta energy: -127.096 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: 173 Temperature: 1.150000 Total energy: -1369.530748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.530748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.530748 (E_RNA) where: Base-Base interactions energy: -861.593 where: short stacking energy: -397.928 Base-Backbone interact. energy: -3.684 local terms energy: -504.253780 where: bonds (distance) C4'-P energy: -112.299 bonds (distance) P-C4' energy: -106.291 flat angles C4'-P-C4' energy: -119.866 flat angles P-C4'-P energy: -80.404 tors. eta vs tors. theta energy: -85.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1280.337873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.337873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.337873 (E_RNA) where: Base-Base interactions energy: -778.777 where: short stacking energy: -370.949 Base-Backbone interact. energy: -3.284 local terms energy: -498.276084 where: bonds (distance) C4'-P energy: -107.689 bonds (distance) P-C4' energy: -124.964 flat angles C4'-P-C4' energy: -98.919 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -95.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -926.010603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.010603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.010603 (E_RNA) where: Base-Base interactions energy: -513.010 where: short stacking energy: -280.235 Base-Backbone interact. energy: -5.809 local terms energy: -407.191121 where: bonds (distance) C4'-P energy: -102.404 bonds (distance) P-C4' energy: -122.169 flat angles C4'-P-C4' energy: -94.077 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -38.993 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: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -706.342668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.342668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.342668 (E_RNA) where: Base-Base interactions energy: -348.592 where: short stacking energy: -211.550 Base-Backbone interact. energy: 4.601 local terms energy: -362.351389 where: bonds (distance) C4'-P energy: -98.568 bonds (distance) P-C4' energy: -103.181 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -64.950 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -495.011502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.011502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.011502 (E_RNA) where: Base-Base interactions energy: -216.829 where: short stacking energy: -154.736 Base-Backbone interact. energy: 2.058 local terms energy: -280.241133 where: bonds (distance) C4'-P energy: -81.788 bonds (distance) P-C4' energy: -102.649 flat angles C4'-P-C4' energy: -87.856 flat angles P-C4'-P energy: -32.583 tors. eta vs tors. theta energy: 24.634 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: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2172.152685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.152685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.152685 (E_RNA) where: Base-Base interactions energy: -1498.530 where: short stacking energy: -620.028 Base-Backbone interact. energy: -1.195 local terms energy: -672.427475 where: bonds (distance) C4'-P energy: -119.410 bonds (distance) P-C4' energy: -122.740 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -98.689 tors. eta vs tors. theta energy: -179.402 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: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2073.775868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.775868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.775868 (E_RNA) where: Base-Base interactions energy: -1416.475 where: short stacking energy: -617.070 Base-Backbone interact. energy: -4.571 local terms energy: -652.730403 where: bonds (distance) C4'-P energy: -114.780 bonds (distance) P-C4' energy: -129.341 flat angles C4'-P-C4' energy: -147.281 flat angles P-C4'-P energy: -93.670 tors. eta vs tors. theta energy: -167.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1947.367876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.367876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.367876 (E_RNA) where: Base-Base interactions energy: -1332.792 where: short stacking energy: -569.411 Base-Backbone interact. energy: -4.299 local terms energy: -610.276459 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -120.939 flat angles C4'-P-C4' energy: -144.558 flat angles P-C4'-P energy: -71.583 tors. eta vs tors. theta energy: -151.662 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1872.796952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.796952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.796952 (E_RNA) where: Base-Base interactions energy: -1270.782 where: short stacking energy: -537.306 Base-Backbone interact. energy: -4.293 local terms energy: -597.722076 where: bonds (distance) C4'-P energy: -109.842 bonds (distance) P-C4' energy: -108.117 flat angles C4'-P-C4' energy: -138.865 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -171.005 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: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1653.691179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.691179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.691179 (E_RNA) where: Base-Base interactions energy: -1074.376 where: short stacking energy: -480.131 Base-Backbone interact. energy: -1.562 local terms energy: -577.753912 where: bonds (distance) C4'-P energy: -119.745 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -128.624 flat angles P-C4'-P energy: -87.683 tors. eta vs tors. theta energy: -118.958 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: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1415.661857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.661857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.661857 (E_RNA) where: Base-Base interactions energy: -902.141 where: short stacking energy: -410.567 Base-Backbone interact. energy: -1.155 local terms energy: -512.366671 where: bonds (distance) C4'-P energy: -119.539 bonds (distance) P-C4' energy: -111.864 flat angles C4'-P-C4' energy: -123.343 flat angles P-C4'-P energy: -61.563 tors. eta vs tors. theta energy: -96.058 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1217.632500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.632500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.632500 (E_RNA) where: Base-Base interactions energy: -756.106 where: short stacking energy: -377.261 Base-Backbone interact. energy: -1.819 local terms energy: -459.706776 where: bonds (distance) C4'-P energy: -111.946 bonds (distance) P-C4' energy: -108.468 flat angles C4'-P-C4' energy: -111.983 flat angles P-C4'-P energy: -65.783 tors. eta vs tors. theta energy: -61.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -865.618872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.618872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.618872 (E_RNA) where: Base-Base interactions energy: -472.268 where: short stacking energy: -258.070 Base-Backbone interact. energy: -1.073 local terms energy: -392.277916 where: bonds (distance) C4'-P energy: -107.516 bonds (distance) P-C4' energy: -108.625 flat angles C4'-P-C4' energy: -88.991 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: -21.777 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: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -676.430291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.430291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.430291 (E_RNA) where: Base-Base interactions energy: -329.180 where: short stacking energy: -219.902 Base-Backbone interact. energy: 2.718 local terms energy: -349.967879 where: bonds (distance) C4'-P energy: -101.574 bonds (distance) P-C4' energy: -105.752 flat angles C4'-P-C4' energy: -87.217 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -513.884316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.884316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.884316 (E_RNA) where: Base-Base interactions energy: -210.426 where: short stacking energy: -143.414 Base-Backbone interact. energy: -3.116 local terms energy: -300.342282 where: bonds (distance) C4'-P energy: -99.710 bonds (distance) P-C4' energy: -102.346 flat angles C4'-P-C4' energy: -70.731 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: 15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2178.297865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.297865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.297865 (E_RNA) where: Base-Base interactions energy: -1520.022 where: short stacking energy: -631.131 Base-Backbone interact. energy: -0.785 local terms energy: -657.490646 where: bonds (distance) C4'-P energy: -118.622 bonds (distance) P-C4' energy: -128.568 flat angles C4'-P-C4' energy: -142.956 flat angles P-C4'-P energy: -86.401 tors. eta vs tors. theta energy: -180.945 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: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2070.957035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.957035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.957035 (E_RNA) where: Base-Base interactions energy: -1415.065 where: short stacking energy: -618.937 Base-Backbone interact. energy: -0.176 local terms energy: -655.716543 where: bonds (distance) C4'-P energy: -122.539 bonds (distance) P-C4' energy: -128.123 flat angles C4'-P-C4' energy: -142.146 flat angles P-C4'-P energy: -93.717 tors. eta vs tors. theta energy: -169.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1983.053096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.053096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.053096 (E_RNA) where: Base-Base interactions energy: -1364.236 where: short stacking energy: -597.200 Base-Backbone interact. energy: -4.433 local terms energy: -614.383577 where: bonds (distance) C4'-P energy: -120.720 bonds (distance) P-C4' energy: -122.078 flat angles C4'-P-C4' energy: -127.884 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -159.881 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: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1905.789367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.789367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.789367 (E_RNA) where: Base-Base interactions energy: -1292.394 where: short stacking energy: -537.137 Base-Backbone interact. energy: -1.689 local terms energy: -611.705493 where: bonds (distance) C4'-P energy: -103.219 bonds (distance) P-C4' energy: -124.730 flat angles C4'-P-C4' energy: -132.980 flat angles P-C4'-P energy: -83.912 tors. eta vs tors. theta energy: -166.865 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: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1682.169843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.169843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.169843 (E_RNA) where: Base-Base interactions energy: -1112.362 where: short stacking energy: -503.709 Base-Backbone interact. energy: -0.941 local terms energy: -568.866399 where: bonds (distance) C4'-P energy: -98.472 bonds (distance) P-C4' energy: -119.165 flat angles C4'-P-C4' energy: -127.395 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -141.802 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: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1429.683037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.683037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.683037 (E_RNA) where: Base-Base interactions energy: -924.956 where: short stacking energy: -405.005 Base-Backbone interact. energy: -0.515 local terms energy: -504.212806 where: bonds (distance) C4'-P energy: -104.631 bonds (distance) P-C4' energy: -102.008 flat angles C4'-P-C4' energy: -132.821 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -94.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1212.045948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.045948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.045948 (E_RNA) where: Base-Base interactions energy: -779.627 where: short stacking energy: -357.570 Base-Backbone interact. energy: 0.885 local terms energy: -433.303801 where: bonds (distance) C4'-P energy: -98.461 bonds (distance) P-C4' energy: -91.833 flat angles C4'-P-C4' energy: -106.765 flat angles P-C4'-P energy: -67.663 tors. eta vs tors. theta energy: -68.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -957.579606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.579606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.579606 (E_RNA) where: Base-Base interactions energy: -548.069 where: short stacking energy: -279.755 Base-Backbone interact. energy: -0.459 local terms energy: -409.052216 where: bonds (distance) C4'-P energy: -90.325 bonds (distance) P-C4' energy: -102.977 flat angles C4'-P-C4' energy: -103.970 flat angles P-C4'-P energy: -71.607 tors. eta vs tors. theta energy: -40.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -665.402050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.402050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.402050 (E_RNA) where: Base-Base interactions energy: -304.425 where: short stacking energy: -168.358 Base-Backbone interact. energy: 4.543 local terms energy: -365.520358 where: bonds (distance) C4'-P energy: -101.056 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -101.694 flat angles P-C4'-P energy: -63.406 tors. eta vs tors. theta energy: 18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -466.420632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.420632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.420632 (E_RNA) where: Base-Base interactions energy: -173.102 where: short stacking energy: -128.334 Base-Backbone interact. energy: -0.210 local terms energy: -293.108483 where: bonds (distance) C4'-P energy: -99.282 bonds (distance) P-C4' energy: -93.373 flat angles C4'-P-C4' energy: -89.393 flat angles P-C4'-P energy: -41.268 tors. eta vs tors. theta energy: 30.207 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: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2165.887449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.887449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.887449 (E_RNA) where: Base-Base interactions energy: -1508.365 where: short stacking energy: -637.363 Base-Backbone interact. energy: -6.732 local terms energy: -650.790483 where: bonds (distance) C4'-P energy: -120.788 bonds (distance) P-C4' energy: -112.444 flat angles C4'-P-C4' energy: -149.226 flat angles P-C4'-P energy: -87.316 tors. eta vs tors. theta energy: -181.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2083.305872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.305872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.305872 (E_RNA) where: Base-Base interactions energy: -1449.349 where: short stacking energy: -597.884 Base-Backbone interact. energy: -4.290 local terms energy: -629.666700 where: bonds (distance) C4'-P energy: -115.838 bonds (distance) P-C4' energy: -124.817 flat angles C4'-P-C4' energy: -134.808 flat angles P-C4'-P energy: -83.215 tors. eta vs tors. theta energy: -170.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2005.800204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.800204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.800204 (E_RNA) where: Base-Base interactions energy: -1403.306 where: short stacking energy: -567.969 Base-Backbone interact. energy: -4.369 local terms energy: -598.125372 where: bonds (distance) C4'-P energy: -125.954 bonds (distance) P-C4' energy: -112.448 flat angles C4'-P-C4' energy: -134.552 flat angles P-C4'-P energy: -76.020 tors. eta vs tors. theta energy: -149.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1836.546930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.546930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.546930 (E_RNA) where: Base-Base interactions energy: -1229.583 where: short stacking energy: -541.282 Base-Backbone interact. energy: 2.112 local terms energy: -609.075881 where: bonds (distance) C4'-P energy: -123.374 bonds (distance) P-C4' energy: -117.736 flat angles C4'-P-C4' energy: -127.573 flat angles P-C4'-P energy: -79.172 tors. eta vs tors. theta energy: -161.221 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: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1668.225019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.225019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.225019 (E_RNA) where: Base-Base interactions energy: -1120.533 where: short stacking energy: -504.032 Base-Backbone interact. energy: -1.183 local terms energy: -546.509572 where: bonds (distance) C4'-P energy: -102.832 bonds (distance) P-C4' energy: -103.321 flat angles C4'-P-C4' energy: -131.187 flat angles P-C4'-P energy: -81.567 tors. eta vs tors. theta energy: -127.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1406.236183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.236183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.236183 (E_RNA) where: Base-Base interactions energy: -922.704 where: short stacking energy: -408.929 Base-Backbone interact. energy: -2.480 local terms energy: -481.052311 where: bonds (distance) C4'-P energy: -119.941 bonds (distance) P-C4' energy: -88.720 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -87.422 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: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1251.823079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.823079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.823079 (E_RNA) where: Base-Base interactions energy: -808.600 where: short stacking energy: -367.857 Base-Backbone interact. energy: -1.151 local terms energy: -442.071357 where: bonds (distance) C4'-P energy: -102.019 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -110.142 flat angles P-C4'-P energy: -53.421 tors. eta vs tors. theta energy: -60.019 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: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -931.966258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.966258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.966258 (E_RNA) where: Base-Base interactions energy: -536.938 where: short stacking energy: -267.916 Base-Backbone interact. energy: 2.085 local terms energy: -397.112565 where: bonds (distance) C4'-P energy: -107.010 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -93.250 flat angles P-C4'-P energy: -65.850 tors. eta vs tors. theta energy: -19.204 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: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -664.092381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.092381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.092381 (E_RNA) where: Base-Base interactions energy: -292.507 where: short stacking energy: -203.820 Base-Backbone interact. energy: -2.898 local terms energy: -368.687484 where: bonds (distance) C4'-P energy: -96.261 bonds (distance) P-C4' energy: -118.299 flat angles C4'-P-C4' energy: -110.659 flat angles P-C4'-P energy: -50.882 tors. eta vs tors. theta energy: 7.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -492.889720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.889720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.889720 (E_RNA) where: Base-Base interactions energy: -174.942 where: short stacking energy: -141.423 Base-Backbone interact. energy: 4.056 local terms energy: -322.004269 where: bonds (distance) C4'-P energy: -112.182 bonds (distance) P-C4' energy: -98.329 flat angles C4'-P-C4' energy: -95.297 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: 27.503 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: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2147.989065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.989065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.989065 (E_RNA) where: Base-Base interactions energy: -1476.918 where: short stacking energy: -619.482 Base-Backbone interact. energy: -1.945 local terms energy: -669.126417 where: bonds (distance) C4'-P energy: -129.224 bonds (distance) P-C4' energy: -134.051 flat angles C4'-P-C4' energy: -136.655 flat angles P-C4'-P energy: -90.305 tors. eta vs tors. theta energy: -178.892 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: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2079.875823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.875823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.875823 (E_RNA) where: Base-Base interactions energy: -1459.558 where: short stacking energy: -605.229 Base-Backbone interact. energy: -0.989 local terms energy: -619.329307 where: bonds (distance) C4'-P energy: -117.568 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -138.022 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -156.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2015.062875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.062875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.062875 (E_RNA) where: Base-Base interactions energy: -1409.424 where: short stacking energy: -593.322 Base-Backbone interact. energy: -0.848 local terms energy: -604.791278 where: bonds (distance) C4'-P energy: -123.271 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -127.482 flat angles P-C4'-P energy: -93.237 tors. eta vs tors. theta energy: -161.589 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: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1801.732352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.732352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.732352 (E_RNA) where: Base-Base interactions energy: -1192.627 where: short stacking energy: -520.732 Base-Backbone interact. energy: 0.034 local terms energy: -609.139443 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -118.923 flat angles C4'-P-C4' energy: -139.875 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -160.816 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: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1675.895593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.895593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.895593 (E_RNA) where: Base-Base interactions energy: -1104.339 where: short stacking energy: -502.125 Base-Backbone interact. energy: -2.926 local terms energy: -568.629902 where: bonds (distance) C4'-P energy: -100.667 bonds (distance) P-C4' energy: -114.864 flat angles C4'-P-C4' energy: -119.442 flat angles P-C4'-P energy: -90.367 tors. eta vs tors. theta energy: -143.290 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: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1404.643780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.643780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.643780 (E_RNA) where: Base-Base interactions energy: -910.816 where: short stacking energy: -409.812 Base-Backbone interact. energy: -2.254 local terms energy: -491.573795 where: bonds (distance) C4'-P energy: -108.910 bonds (distance) P-C4' energy: -107.120 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -90.381 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: 177 Temperature: 1.200000 Total energy: -1338.961684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.961684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.961684 (E_RNA) where: Base-Base interactions energy: -845.446 where: short stacking energy: -391.105 Base-Backbone interact. energy: 7.221 local terms energy: -500.736626 where: bonds (distance) C4'-P energy: -105.824 bonds (distance) P-C4' energy: -118.660 flat angles C4'-P-C4' energy: -123.045 flat angles P-C4'-P energy: -72.120 tors. eta vs tors. theta energy: -81.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -958.245957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.245957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.245957 (E_RNA) where: Base-Base interactions energy: -551.211 where: short stacking energy: -278.899 Base-Backbone interact. energy: 3.831 local terms energy: -410.866712 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -110.939 flat angles C4'-P-C4' energy: -108.911 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -25.844 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: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -668.460839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.460839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.460839 (E_RNA) where: Base-Base interactions energy: -321.062 where: short stacking energy: -192.533 Base-Backbone interact. energy: 0.796 local terms energy: -348.195282 where: bonds (distance) C4'-P energy: -97.770 bonds (distance) P-C4' energy: -115.740 flat angles C4'-P-C4' energy: -79.021 flat angles P-C4'-P energy: -55.039 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -573.598929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.598929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.598929 (E_RNA) where: Base-Base interactions energy: -238.951 where: short stacking energy: -189.700 Base-Backbone interact. energy: -1.382 local terms energy: -333.265858 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -111.574 flat angles C4'-P-C4' energy: -101.882 flat angles P-C4'-P energy: -40.929 tors. eta vs tors. theta energy: 7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2163.633826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.633826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.633826 (E_RNA) where: Base-Base interactions energy: -1479.541 where: short stacking energy: -611.743 Base-Backbone interact. energy: -1.803 local terms energy: -682.289763 where: bonds (distance) C4'-P energy: -122.016 bonds (distance) P-C4' energy: -127.387 flat angles C4'-P-C4' energy: -138.349 flat angles P-C4'-P energy: -108.095 tors. eta vs tors. theta energy: -186.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2057.714674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.714674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.714674 (E_RNA) where: Base-Base interactions energy: -1400.213 where: short stacking energy: -618.475 Base-Backbone interact. energy: -4.852 local terms energy: -652.650051 where: bonds (distance) C4'-P energy: -120.486 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -93.331 tors. eta vs tors. theta energy: -171.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2021.664924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.664924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.664924 (E_RNA) where: Base-Base interactions energy: -1397.444 where: short stacking energy: -570.815 Base-Backbone interact. energy: -2.217 local terms energy: -622.004712 where: bonds (distance) C4'-P energy: -107.884 bonds (distance) P-C4' energy: -132.420 flat angles C4'-P-C4' energy: -125.603 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -167.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1822.679337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.679337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.679337 (E_RNA) where: Base-Base interactions energy: -1229.642 where: short stacking energy: -535.962 Base-Backbone interact. energy: -1.529 local terms energy: -591.508090 where: bonds (distance) C4'-P energy: -100.756 bonds (distance) P-C4' energy: -120.673 flat angles C4'-P-C4' energy: -134.061 flat angles P-C4'-P energy: -76.537 tors. eta vs tors. theta energy: -159.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1664.356171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.356171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.356171 (E_RNA) where: Base-Base interactions energy: -1116.542 where: short stacking energy: -509.282 Base-Backbone interact. energy: -2.158 local terms energy: -545.656295 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -110.942 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -77.412 tors. eta vs tors. theta energy: -139.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1398.174266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.174266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.174266 (E_RNA) where: Base-Base interactions energy: -891.113 where: short stacking energy: -408.412 Base-Backbone interact. energy: -0.079 local terms energy: -506.982877 where: bonds (distance) C4'-P energy: -111.325 bonds (distance) P-C4' energy: -120.349 flat angles C4'-P-C4' energy: -118.675 flat angles P-C4'-P energy: -55.579 tors. eta vs tors. theta energy: -101.055 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: 178 Temperature: 1.200000 Total energy: -1400.435975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.435975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.435975 (E_RNA) where: Base-Base interactions energy: -899.946 where: short stacking energy: -400.030 Base-Backbone interact. energy: 2.281 local terms energy: -502.771635 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -113.648 flat angles C4'-P-C4' energy: -114.503 flat angles P-C4'-P energy: -77.592 tors. eta vs tors. theta energy: -101.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -960.089089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.089089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.089089 (E_RNA) where: Base-Base interactions energy: -556.691 where: short stacking energy: -308.551 Base-Backbone interact. energy: 3.801 local terms energy: -407.199364 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -105.399 flat angles C4'-P-C4' energy: -112.987 flat angles P-C4'-P energy: -62.566 tors. eta vs tors. theta energy: -35.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -655.923721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.923721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.923721 (E_RNA) where: Base-Base interactions energy: -298.899 where: short stacking energy: -202.863 Base-Backbone interact. energy: 2.656 local terms energy: -359.680395 where: bonds (distance) C4'-P energy: -82.407 bonds (distance) P-C4' energy: -111.972 flat angles C4'-P-C4' energy: -103.083 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -557.854699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.854699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.854699 (E_RNA) where: Base-Base interactions energy: -221.980 where: short stacking energy: -135.943 Base-Backbone interact. energy: 0.664 local terms energy: -336.538280 where: bonds (distance) C4'-P energy: -84.083 bonds (distance) P-C4' energy: -117.040 flat angles C4'-P-C4' energy: -104.061 flat angles P-C4'-P energy: -64.556 tors. eta vs tors. theta energy: 33.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2166.466347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.466347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.466347 (E_RNA) where: Base-Base interactions energy: -1519.371 where: short stacking energy: -617.451 Base-Backbone interact. energy: -4.240 local terms energy: -642.855375 where: bonds (distance) C4'-P energy: -118.261 bonds (distance) P-C4' energy: -115.832 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -90.966 tors. eta vs tors. theta energy: -171.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2063.509980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.509980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.509980 (E_RNA) where: Base-Base interactions energy: -1439.842 where: short stacking energy: -603.042 Base-Backbone interact. energy: -1.197 local terms energy: -622.471467 where: bonds (distance) C4'-P energy: -114.723 bonds (distance) P-C4' energy: -114.458 flat angles C4'-P-C4' energy: -129.889 flat angles P-C4'-P energy: -93.243 tors. eta vs tors. theta energy: -170.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2012.361372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.361372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.361372 (E_RNA) where: Base-Base interactions energy: -1404.836 where: short stacking energy: -590.447 Base-Backbone interact. energy: -2.814 local terms energy: -604.711829 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -114.830 flat angles C4'-P-C4' energy: -127.429 flat angles P-C4'-P energy: -92.117 tors. eta vs tors. theta energy: -152.020 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: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1804.678508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.678508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.678508 (E_RNA) where: Base-Base interactions energy: -1186.615 where: short stacking energy: -542.294 Base-Backbone interact. energy: -3.287 local terms energy: -614.776101 where: bonds (distance) C4'-P energy: -113.847 bonds (distance) P-C4' energy: -117.949 flat angles C4'-P-C4' energy: -138.160 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -163.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1660.035806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.035806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.035806 (E_RNA) where: Base-Base interactions energy: -1081.708 where: short stacking energy: -494.991 Base-Backbone interact. energy: -1.640 local terms energy: -576.687304 where: bonds (distance) C4'-P energy: -109.793 bonds (distance) P-C4' energy: -127.753 flat angles C4'-P-C4' energy: -130.828 flat angles P-C4'-P energy: -70.227 tors. eta vs tors. theta energy: -138.086 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1459.067224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.067224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.067224 (E_RNA) where: Base-Base interactions energy: -943.670 where: short stacking energy: -442.139 Base-Backbone interact. energy: -1.094 local terms energy: -514.302708 where: bonds (distance) C4'-P energy: -99.273 bonds (distance) P-C4' energy: -120.592 flat angles C4'-P-C4' energy: -106.310 flat angles P-C4'-P energy: -65.742 tors. eta vs tors. theta energy: -122.386 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: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1233.769082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.769082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.769082 (E_RNA) where: Base-Base interactions energy: -802.243 where: short stacking energy: -368.568 Base-Backbone interact. energy: -0.302 local terms energy: -431.224531 where: bonds (distance) C4'-P energy: -92.004 bonds (distance) P-C4' energy: -97.115 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -77.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -903.861616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.861616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.861616 (E_RNA) where: Base-Base interactions energy: -486.440 where: short stacking energy: -240.164 Base-Backbone interact. energy: 4.018 local terms energy: -421.439350 where: bonds (distance) C4'-P energy: -112.538 bonds (distance) P-C4' energy: -118.845 flat angles C4'-P-C4' energy: -114.714 flat angles P-C4'-P energy: -44.661 tors. eta vs tors. theta energy: -30.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -714.341443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.341443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.341443 (E_RNA) where: Base-Base interactions energy: -368.258 where: short stacking energy: -216.903 Base-Backbone interact. energy: -2.886 local terms energy: -343.197560 where: bonds (distance) C4'-P energy: -90.840 bonds (distance) P-C4' energy: -100.985 flat angles C4'-P-C4' energy: -79.017 flat angles P-C4'-P energy: -59.713 tors. eta vs tors. theta energy: -12.643 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: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -523.145333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.145333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.145333 (E_RNA) where: Base-Base interactions energy: -209.378 where: short stacking energy: -150.687 Base-Backbone interact. energy: -2.012 local terms energy: -311.755898 where: bonds (distance) C4'-P energy: -101.999 bonds (distance) P-C4' energy: -97.271 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -34.929 tors. eta vs tors. theta energy: 17.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2163.000941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.000941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.000941 (E_RNA) where: Base-Base interactions energy: -1522.526 where: short stacking energy: -633.179 Base-Backbone interact. energy: -2.342 local terms energy: -638.133193 where: bonds (distance) C4'-P energy: -122.970 bonds (distance) P-C4' energy: -125.204 flat angles C4'-P-C4' energy: -138.944 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -176.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2093.031889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.031889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.031889 (E_RNA) where: Base-Base interactions energy: -1456.519 where: short stacking energy: -626.369 Base-Backbone interact. energy: -3.032 local terms energy: -633.480578 where: bonds (distance) C4'-P energy: -125.645 bonds (distance) P-C4' energy: -106.386 flat angles C4'-P-C4' energy: -134.953 flat angles P-C4'-P energy: -89.060 tors. eta vs tors. theta energy: -177.437 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: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1927.694391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.694391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.694391 (E_RNA) where: Base-Base interactions energy: -1337.369 where: short stacking energy: -529.787 Base-Backbone interact. energy: -2.431 local terms energy: -587.893948 where: bonds (distance) C4'-P energy: -132.440 bonds (distance) P-C4' energy: -110.789 flat angles C4'-P-C4' energy: -124.111 flat angles P-C4'-P energy: -81.512 tors. eta vs tors. theta energy: -139.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1820.235940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.235940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.235940 (E_RNA) where: Base-Base interactions energy: -1236.554 where: short stacking energy: -540.054 Base-Backbone interact. energy: -2.640 local terms energy: -581.042572 where: bonds (distance) C4'-P energy: -91.237 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -136.733 flat angles P-C4'-P energy: -78.018 tors. eta vs tors. theta energy: -157.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1751.349949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.349949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.349949 (E_RNA) where: Base-Base interactions energy: -1175.274 where: short stacking energy: -539.716 Base-Backbone interact. energy: -3.315 local terms energy: -572.761369 where: bonds (distance) C4'-P energy: -116.747 bonds (distance) P-C4' energy: -115.898 flat angles C4'-P-C4' energy: -116.341 flat angles P-C4'-P energy: -79.675 tors. eta vs tors. theta energy: -144.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1541.968453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.968453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.968453 (E_RNA) where: Base-Base interactions energy: -1003.920 where: short stacking energy: -460.541 Base-Backbone interact. energy: -2.307 local terms energy: -535.741720 where: bonds (distance) C4'-P energy: -106.251 bonds (distance) P-C4' energy: -110.442 flat angles C4'-P-C4' energy: -129.857 flat angles P-C4'-P energy: -67.484 tors. eta vs tors. theta energy: -121.708 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: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1218.000224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.000224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.000224 (E_RNA) where: Base-Base interactions energy: -766.129 where: short stacking energy: -347.620 Base-Backbone interact. energy: -2.834 local terms energy: -449.037812 where: bonds (distance) C4'-P energy: -103.836 bonds (distance) P-C4' energy: -99.322 flat angles C4'-P-C4' energy: -111.979 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -72.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -883.310940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.310940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.310940 (E_RNA) where: Base-Base interactions energy: -510.058 where: short stacking energy: -234.184 Base-Backbone interact. energy: 3.015 local terms energy: -376.268335 where: bonds (distance) C4'-P energy: -101.530 bonds (distance) P-C4' energy: -99.448 flat angles C4'-P-C4' energy: -101.868 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -13.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -740.998679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.998679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.998679 (E_RNA) where: Base-Base interactions energy: -367.657 where: short stacking energy: -200.788 Base-Backbone interact. energy: -0.327 local terms energy: -373.014793 where: bonds (distance) C4'-P energy: -113.143 bonds (distance) P-C4' energy: -108.537 flat angles C4'-P-C4' energy: -94.590 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: 8.104 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: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -478.164560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.164560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.164560 (E_RNA) where: Base-Base interactions energy: -159.618 where: short stacking energy: -139.899 Base-Backbone interact. energy: 0.028 local terms energy: -318.574547 where: bonds (distance) C4'-P energy: -113.176 bonds (distance) P-C4' energy: -121.515 flat angles C4'-P-C4' energy: -86.673 flat angles P-C4'-P energy: -37.312 tors. eta vs tors. theta energy: 40.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2172.709567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.709567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.709567 (E_RNA) where: Base-Base interactions energy: -1522.834 where: short stacking energy: -625.241 Base-Backbone interact. energy: -1.726 local terms energy: -648.149383 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -124.066 flat angles C4'-P-C4' energy: -140.551 flat angles P-C4'-P energy: -81.076 tors. eta vs tors. theta energy: -178.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2087.371841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.371841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.371841 (E_RNA) where: Base-Base interactions energy: -1426.819 where: short stacking energy: -613.614 Base-Backbone interact. energy: 2.390 local terms energy: -662.942756 where: bonds (distance) C4'-P energy: -122.867 bonds (distance) P-C4' energy: -123.802 flat angles C4'-P-C4' energy: -135.560 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -179.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1955.813179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.813179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.813179 (E_RNA) where: Base-Base interactions energy: -1355.615 where: short stacking energy: -567.299 Base-Backbone interact. energy: -1.241 local terms energy: -598.956704 where: bonds (distance) C4'-P energy: -108.489 bonds (distance) P-C4' energy: -127.368 flat angles C4'-P-C4' energy: -130.208 flat angles P-C4'-P energy: -94.599 tors. eta vs tors. theta energy: -138.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1870.182524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.182524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.182524 (E_RNA) where: Base-Base interactions energy: -1250.397 where: short stacking energy: -569.668 Base-Backbone interact. energy: -5.276 local terms energy: -614.509254 where: bonds (distance) C4'-P energy: -120.604 bonds (distance) P-C4' energy: -118.314 flat angles C4'-P-C4' energy: -136.728 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -165.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1679.973309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.973309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.973309 (E_RNA) where: Base-Base interactions energy: -1096.788 where: short stacking energy: -492.153 Base-Backbone interact. energy: -0.684 local terms energy: -582.501774 where: bonds (distance) C4'-P energy: -117.855 bonds (distance) P-C4' energy: -120.552 flat angles C4'-P-C4' energy: -117.847 flat angles P-C4'-P energy: -94.179 tors. eta vs tors. theta energy: -132.070 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: 181 Temperature: 1.150000 Total energy: -1533.179370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.179370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.179370 (E_RNA) where: Base-Base interactions energy: -992.372 where: short stacking energy: -432.003 Base-Backbone interact. energy: -1.597 local terms energy: -539.210983 where: bonds (distance) C4'-P energy: -104.537 bonds (distance) P-C4' energy: -125.588 flat angles C4'-P-C4' energy: -121.283 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -115.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1246.133451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.133451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.133451 (E_RNA) where: Base-Base interactions energy: -780.637 where: short stacking energy: -351.052 Base-Backbone interact. energy: -2.235 local terms energy: -463.261607 where: bonds (distance) C4'-P energy: -94.897 bonds (distance) P-C4' energy: -120.666 flat angles C4'-P-C4' energy: -111.445 flat angles P-C4'-P energy: -57.234 tors. eta vs tors. theta energy: -79.019 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: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -902.633434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.633434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.633434 (E_RNA) where: Base-Base interactions energy: -514.025 where: short stacking energy: -265.588 Base-Backbone interact. energy: 7.113 local terms energy: -395.721643 where: bonds (distance) C4'-P energy: -98.948 bonds (distance) P-C4' energy: -116.473 flat angles C4'-P-C4' energy: -93.621 flat angles P-C4'-P energy: -61.725 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: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -664.199439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.199439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.199439 (E_RNA) where: Base-Base interactions energy: -330.147 where: short stacking energy: -201.976 Base-Backbone interact. energy: -2.962 local terms energy: -331.090567 where: bonds (distance) C4'-P energy: -88.305 bonds (distance) P-C4' energy: -90.557 flat angles C4'-P-C4' energy: -104.437 flat angles P-C4'-P energy: -44.934 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -479.229134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.229134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.229134 (E_RNA) where: Base-Base interactions energy: -157.792 where: short stacking energy: -118.439 Base-Backbone interact. energy: -0.343 local terms energy: -321.093350 where: bonds (distance) C4'-P energy: -111.953 bonds (distance) P-C4' energy: -106.230 flat angles C4'-P-C4' energy: -85.977 flat angles P-C4'-P energy: -35.590 tors. eta vs tors. theta energy: 18.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2159.736026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.736026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.736026 (E_RNA) where: Base-Base interactions energy: -1479.693 where: short stacking energy: -625.896 Base-Backbone interact. energy: -3.498 local terms energy: -676.544790 where: bonds (distance) C4'-P energy: -114.491 bonds (distance) P-C4' energy: -130.590 flat angles C4'-P-C4' energy: -154.135 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -179.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2090.219785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.219785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.219785 (E_RNA) where: Base-Base interactions energy: -1459.345 where: short stacking energy: -612.113 Base-Backbone interact. energy: -3.654 local terms energy: -627.221068 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -119.804 flat angles C4'-P-C4' energy: -128.697 flat angles P-C4'-P energy: -87.594 tors. eta vs tors. theta energy: -168.714 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: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1986.129018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.129018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.129018 (E_RNA) where: Base-Base interactions energy: -1368.381 where: short stacking energy: -574.208 Base-Backbone interact. energy: -0.309 local terms energy: -617.438629 where: bonds (distance) C4'-P energy: -108.262 bonds (distance) P-C4' energy: -132.707 flat angles C4'-P-C4' energy: -145.364 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -143.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1818.596032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.596032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.596032 (E_RNA) where: Base-Base interactions energy: -1202.418 where: short stacking energy: -542.528 Base-Backbone interact. energy: -4.389 local terms energy: -611.789837 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -116.113 flat angles C4'-P-C4' energy: -127.767 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -160.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1659.959275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.959275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.959275 (E_RNA) where: Base-Base interactions energy: -1106.471 where: short stacking energy: -490.848 Base-Backbone interact. energy: 4.706 local terms energy: -558.193663 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -106.547 flat angles C4'-P-C4' energy: -125.397 flat angles P-C4'-P energy: -82.442 tors. eta vs tors. theta energy: -131.770 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: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1561.661456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.661456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.661456 (E_RNA) where: Base-Base interactions energy: -1045.193 where: short stacking energy: -470.854 Base-Backbone interact. energy: 3.407 local terms energy: -519.875656 where: bonds (distance) C4'-P energy: -100.202 bonds (distance) P-C4' energy: -98.487 flat angles C4'-P-C4' energy: -120.066 flat angles P-C4'-P energy: -84.082 tors. eta vs tors. theta energy: -117.038 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: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1208.245008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.245008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.245008 (E_RNA) where: Base-Base interactions energy: -757.151 where: short stacking energy: -359.315 Base-Backbone interact. energy: -3.289 local terms energy: -447.804118 where: bonds (distance) C4'-P energy: -88.674 bonds (distance) P-C4' energy: -114.218 flat angles C4'-P-C4' energy: -102.903 flat angles P-C4'-P energy: -57.685 tors. eta vs tors. theta energy: -84.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -915.865960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.865960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.865960 (E_RNA) where: Base-Base interactions energy: -503.990 where: short stacking energy: -264.801 Base-Backbone interact. energy: -1.006 local terms energy: -410.869788 where: bonds (distance) C4'-P energy: -123.590 bonds (distance) P-C4' energy: -102.038 flat angles C4'-P-C4' energy: -102.069 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -35.491 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: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -741.953940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.953940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.953940 (E_RNA) where: Base-Base interactions energy: -396.213 where: short stacking energy: -216.498 Base-Backbone interact. energy: 9.009 local terms energy: -354.750044 where: bonds (distance) C4'-P energy: -91.776 bonds (distance) P-C4' energy: -103.928 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -502.693070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.693070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.693070 (E_RNA) where: Base-Base interactions energy: -172.015 where: short stacking energy: -147.672 Base-Backbone interact. energy: 7.761 local terms energy: -338.438422 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -105.055 flat angles C4'-P-C4' energy: -91.043 flat angles P-C4'-P energy: -43.008 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2161.080251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.080251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.080251 (E_RNA) where: Base-Base interactions energy: -1514.334 where: short stacking energy: -621.999 Base-Backbone interact. energy: -3.151 local terms energy: -643.596162 where: bonds (distance) C4'-P energy: -123.638 bonds (distance) P-C4' energy: -114.760 flat angles C4'-P-C4' energy: -146.362 flat angles P-C4'-P energy: -91.153 tors. eta vs tors. theta energy: -167.683 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: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2116.154818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.154818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.154818 (E_RNA) where: Base-Base interactions energy: -1443.195 where: short stacking energy: -629.018 Base-Backbone interact. energy: -6.542 local terms energy: -666.417883 where: bonds (distance) C4'-P energy: -115.283 bonds (distance) P-C4' energy: -133.466 flat angles C4'-P-C4' energy: -141.414 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -182.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1974.104977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.104977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.104977 (E_RNA) where: Base-Base interactions energy: -1347.715 where: short stacking energy: -538.090 Base-Backbone interact. energy: -1.657 local terms energy: -624.732538 where: bonds (distance) C4'-P energy: -120.222 bonds (distance) P-C4' energy: -117.929 flat angles C4'-P-C4' energy: -141.519 flat angles P-C4'-P energy: -89.469 tors. eta vs tors. theta energy: -155.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1795.012131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.012131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.012131 (E_RNA) where: Base-Base interactions energy: -1200.231 where: short stacking energy: -527.779 Base-Backbone interact. energy: -3.245 local terms energy: -591.535779 where: bonds (distance) C4'-P energy: -102.390 bonds (distance) P-C4' energy: -111.814 flat angles C4'-P-C4' energy: -141.113 flat angles P-C4'-P energy: -94.110 tors. eta vs tors. theta energy: -142.109 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: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1685.667074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.667074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.667074 (E_RNA) where: Base-Base interactions energy: -1121.561 where: short stacking energy: -485.737 Base-Backbone interact. energy: -1.731 local terms energy: -562.375290 where: bonds (distance) C4'-P energy: -87.536 bonds (distance) P-C4' energy: -113.741 flat angles C4'-P-C4' energy: -130.404 flat angles P-C4'-P energy: -88.213 tors. eta vs tors. theta energy: -142.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1568.702433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.702433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.702433 (E_RNA) where: Base-Base interactions energy: -1036.935 where: short stacking energy: -422.013 Base-Backbone interact. energy: -2.985 local terms energy: -528.783015 where: bonds (distance) C4'-P energy: -106.073 bonds (distance) P-C4' energy: -107.806 flat angles C4'-P-C4' energy: -126.902 flat angles P-C4'-P energy: -70.308 tors. eta vs tors. theta energy: -117.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1156.758238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.758238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.758238 (E_RNA) where: Base-Base interactions energy: -713.307 where: short stacking energy: -361.697 Base-Backbone interact. energy: 0.704 local terms energy: -444.154419 where: bonds (distance) C4'-P energy: -110.816 bonds (distance) P-C4' energy: -102.039 flat angles C4'-P-C4' energy: -99.682 flat angles P-C4'-P energy: -73.517 tors. eta vs tors. theta energy: -58.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -925.977260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.977260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.977260 (E_RNA) where: Base-Base interactions energy: -523.168 where: short stacking energy: -260.276 Base-Backbone interact. energy: 0.103 local terms energy: -402.912173 where: bonds (distance) C4'-P energy: -95.530 bonds (distance) P-C4' energy: -105.145 flat angles C4'-P-C4' energy: -93.294 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -35.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -751.376870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.376870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.376870 (E_RNA) where: Base-Base interactions energy: -388.833 where: short stacking energy: -211.595 Base-Backbone interact. energy: -1.154 local terms energy: -361.389556 where: bonds (distance) C4'-P energy: -94.314 bonds (distance) P-C4' energy: -109.478 flat angles C4'-P-C4' energy: -97.442 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -503.515434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.515434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.515434 (E_RNA) where: Base-Base interactions energy: -171.632 where: short stacking energy: -148.947 Base-Backbone interact. energy: -0.899 local terms energy: -330.983875 where: bonds (distance) C4'-P energy: -89.914 bonds (distance) P-C4' energy: -112.544 flat angles C4'-P-C4' energy: -98.133 flat angles P-C4'-P energy: -43.454 tors. eta vs tors. theta energy: 13.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2141.458521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.458521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.458521 (E_RNA) where: Base-Base interactions energy: -1489.239 where: short stacking energy: -618.449 Base-Backbone interact. energy: -2.182 local terms energy: -650.038211 where: bonds (distance) C4'-P energy: -122.068 bonds (distance) P-C4' energy: -124.368 flat angles C4'-P-C4' energy: -149.037 flat angles P-C4'-P energy: -83.693 tors. eta vs tors. theta energy: -170.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2121.276498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.276498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.276498 (E_RNA) where: Base-Base interactions energy: -1449.855 where: short stacking energy: -624.976 Base-Backbone interact. energy: -1.955 local terms energy: -669.466622 where: bonds (distance) C4'-P energy: -122.674 bonds (distance) P-C4' energy: -135.599 flat angles C4'-P-C4' energy: -137.158 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -176.172 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: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1956.585467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.585467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.585467 (E_RNA) where: Base-Base interactions energy: -1348.309 where: short stacking energy: -585.048 Base-Backbone interact. energy: 0.671 local terms energy: -608.947191 where: bonds (distance) C4'-P energy: -117.242 bonds (distance) P-C4' energy: -130.569 flat angles C4'-P-C4' energy: -129.901 flat angles P-C4'-P energy: -80.388 tors. eta vs tors. theta energy: -150.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1773.104946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.104946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.104946 (E_RNA) where: Base-Base interactions energy: -1198.394 where: short stacking energy: -492.475 Base-Backbone interact. energy: -4.655 local terms energy: -570.055841 where: bonds (distance) C4'-P energy: -119.188 bonds (distance) P-C4' energy: -126.552 flat angles C4'-P-C4' energy: -118.899 flat angles P-C4'-P energy: -74.777 tors. eta vs tors. theta energy: -130.639 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: 184 Temperature: 1.100000 Total energy: -1634.193225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.193225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.193225 (E_RNA) where: Base-Base interactions energy: -1087.053 where: short stacking energy: -497.865 Base-Backbone interact. energy: -3.313 local terms energy: -543.827092 where: bonds (distance) C4'-P energy: -115.551 bonds (distance) P-C4' energy: -121.932 flat angles C4'-P-C4' energy: -114.439 flat angles P-C4'-P energy: -73.207 tors. eta vs tors. theta energy: -118.697 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: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1597.850640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.850640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.850640 (E_RNA) where: Base-Base interactions energy: -1047.163 where: short stacking energy: -446.332 Base-Backbone interact. energy: -0.985 local terms energy: -549.702246 where: bonds (distance) C4'-P energy: -100.928 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -127.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1166.154722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.154722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.154722 (E_RNA) where: Base-Base interactions energy: -731.119 where: short stacking energy: -365.467 Base-Backbone interact. energy: 1.283 local terms energy: -436.318481 where: bonds (distance) C4'-P energy: -89.983 bonds (distance) P-C4' energy: -122.029 flat angles C4'-P-C4' energy: -112.835 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -51.427 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: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -854.457724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.457724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.457724 (E_RNA) where: Base-Base interactions energy: -494.364 where: short stacking energy: -250.919 Base-Backbone interact. energy: 1.289 local terms energy: -361.382925 where: bonds (distance) C4'-P energy: -109.290 bonds (distance) P-C4' energy: -107.490 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -57.978 tors. eta vs tors. theta energy: -8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -775.598916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.598916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.598916 (E_RNA) where: Base-Base interactions energy: -414.188 where: short stacking energy: -233.376 Base-Backbone interact. energy: 1.166 local terms energy: -362.576377 where: bonds (distance) C4'-P energy: -112.036 bonds (distance) P-C4' energy: -106.448 flat angles C4'-P-C4' energy: -90.817 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -493.655982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.655982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.655982 (E_RNA) where: Base-Base interactions energy: -169.244 where: short stacking energy: -131.837 Base-Backbone interact. energy: 2.557 local terms energy: -326.969366 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -95.433 flat angles P-C4'-P energy: -45.724 tors. eta vs tors. theta energy: 36.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2134.523920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.523920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.523920 (E_RNA) where: Base-Base interactions energy: -1492.636 where: short stacking energy: -614.426 Base-Backbone interact. energy: 0.675 local terms energy: -642.563338 where: bonds (distance) C4'-P energy: -124.218 bonds (distance) P-C4' energy: -123.659 flat angles C4'-P-C4' energy: -139.714 flat angles P-C4'-P energy: -80.109 tors. eta vs tors. theta energy: -174.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2126.462052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.462052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.462052 (E_RNA) where: Base-Base interactions energy: -1460.108 where: short stacking energy: -630.066 Base-Backbone interact. energy: -3.176 local terms energy: -663.178582 where: bonds (distance) C4'-P energy: -128.517 bonds (distance) P-C4' energy: -123.991 flat angles C4'-P-C4' energy: -148.325 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -173.488 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: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1949.060910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.060910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.060910 (E_RNA) where: Base-Base interactions energy: -1366.805 where: short stacking energy: -546.031 Base-Backbone interact. energy: -4.201 local terms energy: -578.055053 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -125.001 flat angles C4'-P-C4' energy: -122.627 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -140.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1761.008749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.008749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.008749 (E_RNA) where: Base-Base interactions energy: -1186.220 where: short stacking energy: -502.721 Base-Backbone interact. energy: -3.800 local terms energy: -570.989561 where: bonds (distance) C4'-P energy: -105.428 bonds (distance) P-C4' energy: -119.185 flat angles C4'-P-C4' energy: -129.054 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -140.838 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: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1671.527545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.527545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.527545 (E_RNA) where: Base-Base interactions energy: -1119.495 where: short stacking energy: -519.447 Base-Backbone interact. energy: -2.264 local terms energy: -549.768054 where: bonds (distance) C4'-P energy: -117.070 bonds (distance) P-C4' energy: -96.181 flat angles C4'-P-C4' energy: -133.348 flat angles P-C4'-P energy: -69.731 tors. eta vs tors. theta energy: -133.438 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: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1582.873145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.873145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.873145 (E_RNA) where: Base-Base interactions energy: -1079.875 where: short stacking energy: -438.942 Base-Backbone interact. energy: -2.322 local terms energy: -500.676442 where: bonds (distance) C4'-P energy: -100.119 bonds (distance) P-C4' energy: -122.969 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -93.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1195.060805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.060805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.060805 (E_RNA) where: Base-Base interactions energy: -746.677 where: short stacking energy: -392.136 Base-Backbone interact. energy: -2.339 local terms energy: -446.044110 where: bonds (distance) C4'-P energy: -88.483 bonds (distance) P-C4' energy: -100.060 flat angles C4'-P-C4' energy: -104.703 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: -89.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -812.032524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.032524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.032524 (E_RNA) where: Base-Base interactions energy: -457.418 where: short stacking energy: -228.264 Base-Backbone interact. energy: -0.362 local terms energy: -354.251596 where: bonds (distance) C4'-P energy: -82.385 bonds (distance) P-C4' energy: -111.396 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: 4.665 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: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -763.331174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.331174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.331174 (E_RNA) where: Base-Base interactions energy: -353.591 where: short stacking energy: -189.878 Base-Backbone interact. energy: -3.284 local terms energy: -406.456566 where: bonds (distance) C4'-P energy: -113.363 bonds (distance) P-C4' energy: -112.210 flat angles C4'-P-C4' energy: -117.427 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -11.868 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: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -515.902110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.902110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.902110 (E_RNA) where: Base-Base interactions energy: -184.487 where: short stacking energy: -150.938 Base-Backbone interact. energy: 0.609 local terms energy: -332.024626 where: bonds (distance) C4'-P energy: -122.084 bonds (distance) P-C4' energy: -100.018 flat angles C4'-P-C4' energy: -81.740 flat angles P-C4'-P energy: -53.311 tors. eta vs tors. theta energy: 25.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2187.440989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.440989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.440989 (E_RNA) where: Base-Base interactions energy: -1498.532 where: short stacking energy: -635.483 Base-Backbone interact. energy: -3.078 local terms energy: -685.831072 where: bonds (distance) C4'-P energy: -137.868 bonds (distance) P-C4' energy: -134.505 flat angles C4'-P-C4' energy: -145.943 flat angles P-C4'-P energy: -83.800 tors. eta vs tors. theta energy: -183.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2075.971722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.971722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.971722 (E_RNA) where: Base-Base interactions energy: -1429.634 where: short stacking energy: -617.732 Base-Backbone interact. energy: 5.091 local terms energy: -651.428548 where: bonds (distance) C4'-P energy: -126.306 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -135.824 flat angles P-C4'-P energy: -84.487 tors. eta vs tors. theta energy: -181.564 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: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1957.106373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.106373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.106373 (E_RNA) where: Base-Base interactions energy: -1364.812 where: short stacking energy: -551.332 Base-Backbone interact. energy: -2.863 local terms energy: -589.430640 where: bonds (distance) C4'-P energy: -107.569 bonds (distance) P-C4' energy: -116.703 flat angles C4'-P-C4' energy: -133.906 flat angles P-C4'-P energy: -83.685 tors. eta vs tors. theta energy: -147.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1781.039899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.039899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.039899 (E_RNA) where: Base-Base interactions energy: -1204.566 where: short stacking energy: -511.405 Base-Backbone interact. energy: -3.060 local terms energy: -573.413563 where: bonds (distance) C4'-P energy: -115.136 bonds (distance) P-C4' energy: -114.169 flat angles C4'-P-C4' energy: -120.776 flat angles P-C4'-P energy: -85.197 tors. eta vs tors. theta energy: -138.136 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: 5, replica: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1676.275443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.275443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.275443 (E_RNA) where: Base-Base interactions energy: -1153.830 where: short stacking energy: -475.518 Base-Backbone interact. energy: -3.597 local terms energy: -518.848957 where: bonds (distance) C4'-P energy: -96.692 bonds (distance) P-C4' energy: -109.263 flat angles C4'-P-C4' energy: -129.016 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -119.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1588.714636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.714636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.714636 (E_RNA) where: Base-Base interactions energy: -1049.092 where: short stacking energy: -483.209 Base-Backbone interact. energy: -1.874 local terms energy: -537.748338 where: bonds (distance) C4'-P energy: -113.886 bonds (distance) P-C4' energy: -109.463 flat angles C4'-P-C4' energy: -108.581 flat angles P-C4'-P energy: -91.010 tors. eta vs tors. theta energy: -114.808 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: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1161.410974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.410974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.410974 (E_RNA) where: Base-Base interactions energy: -712.117 where: short stacking energy: -371.303 Base-Backbone interact. energy: -0.883 local terms energy: -448.411763 where: bonds (distance) C4'-P energy: -113.996 bonds (distance) P-C4' energy: -108.312 flat angles C4'-P-C4' energy: -100.369 flat angles P-C4'-P energy: -65.960 tors. eta vs tors. theta energy: -59.776 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: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -835.790619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.790619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.790619 (E_RNA) where: Base-Base interactions energy: -441.227 where: short stacking energy: -241.518 Base-Backbone interact. energy: 6.883 local terms energy: -401.446461 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -121.704 flat angles C4'-P-C4' energy: -74.882 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -727.174112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.174112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.174112 (E_RNA) where: Base-Base interactions energy: -354.142 where: short stacking energy: -200.117 Base-Backbone interact. energy: -2.100 local terms energy: -370.931581 where: bonds (distance) C4'-P energy: -99.493 bonds (distance) P-C4' energy: -108.267 flat angles C4'-P-C4' energy: -105.979 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -509.561635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.561635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.561635 (E_RNA) where: Base-Base interactions energy: -177.994 where: short stacking energy: -134.019 Base-Backbone interact. energy: -1.586 local terms energy: -329.982165 where: bonds (distance) C4'-P energy: -96.809 bonds (distance) P-C4' energy: -104.523 flat angles C4'-P-C4' energy: -96.107 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: 16.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2177.866241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.866241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.866241 (E_RNA) where: Base-Base interactions energy: -1498.605 where: short stacking energy: -628.776 Base-Backbone interact. energy: -3.911 local terms energy: -675.351016 where: bonds (distance) C4'-P energy: -141.986 bonds (distance) P-C4' energy: -129.219 flat angles C4'-P-C4' energy: -134.659 flat angles P-C4'-P energy: -91.611 tors. eta vs tors. theta energy: -177.876 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: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2075.894531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.894531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.894531 (E_RNA) where: Base-Base interactions energy: -1416.925 where: short stacking energy: -581.135 Base-Backbone interact. energy: -2.270 local terms energy: -656.699315 where: bonds (distance) C4'-P energy: -125.958 bonds (distance) P-C4' energy: -134.718 flat angles C4'-P-C4' energy: -140.262 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -160.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2006.689247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.689247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.689247 (E_RNA) where: Base-Base interactions energy: -1386.831 where: short stacking energy: -546.689 Base-Backbone interact. energy: -0.351 local terms energy: -619.506926 where: bonds (distance) C4'-P energy: -120.006 bonds (distance) P-C4' energy: -135.306 flat angles C4'-P-C4' energy: -129.565 flat angles P-C4'-P energy: -90.411 tors. eta vs tors. theta energy: -144.219 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: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1721.235440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.235440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.235440 (E_RNA) where: Base-Base interactions energy: -1145.615 where: short stacking energy: -497.629 Base-Backbone interact. energy: -3.185 local terms energy: -572.435713 where: bonds (distance) C4'-P energy: -108.763 bonds (distance) P-C4' energy: -121.214 flat angles C4'-P-C4' energy: -129.164 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -137.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1719.065583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.065583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.065583 (E_RNA) where: Base-Base interactions energy: -1136.535 where: short stacking energy: -517.674 Base-Backbone interact. energy: -0.556 local terms energy: -581.974670 where: bonds (distance) C4'-P energy: -103.662 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -133.839 flat angles P-C4'-P energy: -70.061 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: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1561.570706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.570706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.570706 (E_RNA) where: Base-Base interactions energy: -1035.505 where: short stacking energy: -450.077 Base-Backbone interact. energy: -2.295 local terms energy: -523.770378 where: bonds (distance) C4'-P energy: -97.780 bonds (distance) P-C4' energy: -110.622 flat angles C4'-P-C4' energy: -122.172 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -117.830 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: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1095.080365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.080365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.080365 (E_RNA) where: Base-Base interactions energy: -627.324 where: short stacking energy: -288.653 Base-Backbone interact. energy: -1.985 local terms energy: -465.771628 where: bonds (distance) C4'-P energy: -117.320 bonds (distance) P-C4' energy: -120.792 flat angles C4'-P-C4' energy: -109.625 flat angles P-C4'-P energy: -86.376 tors. eta vs tors. theta energy: -31.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -813.811021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.811021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.811021 (E_RNA) where: Base-Base interactions energy: -452.276 where: short stacking energy: -245.363 Base-Backbone interact. energy: 0.436 local terms energy: -361.970865 where: bonds (distance) C4'-P energy: -84.610 bonds (distance) P-C4' energy: -118.952 flat angles C4'-P-C4' energy: -98.171 flat angles P-C4'-P energy: -48.606 tors. eta vs tors. theta energy: -11.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -714.310347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.310347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.310347 (E_RNA) where: Base-Base interactions energy: -363.401 where: short stacking energy: -206.399 Base-Backbone interact. energy: 1.401 local terms energy: -352.310407 where: bonds (distance) C4'-P energy: -96.487 bonds (distance) P-C4' energy: -97.094 flat angles C4'-P-C4' energy: -90.651 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -494.787695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.787695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.787695 (E_RNA) where: Base-Base interactions energy: -180.708 where: short stacking energy: -155.133 Base-Backbone interact. energy: 1.570 local terms energy: -315.650068 where: bonds (distance) C4'-P energy: -116.249 bonds (distance) P-C4' energy: -113.850 flat angles C4'-P-C4' energy: -70.599 flat angles P-C4'-P energy: -34.680 tors. eta vs tors. theta energy: 19.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2200.789802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.789802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.789802 (E_RNA) where: Base-Base interactions energy: -1516.783 where: short stacking energy: -650.681 Base-Backbone interact. energy: -2.476 local terms energy: -681.531183 where: bonds (distance) C4'-P energy: -132.751 bonds (distance) P-C4' energy: -130.305 flat angles C4'-P-C4' energy: -144.990 flat angles P-C4'-P energy: -89.125 tors. eta vs tors. theta energy: -184.360 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: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2072.913666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.913666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.913666 (E_RNA) where: Base-Base interactions energy: -1423.978 where: short stacking energy: -589.991 Base-Backbone interact. energy: -1.713 local terms energy: -647.222927 where: bonds (distance) C4'-P energy: -110.835 bonds (distance) P-C4' energy: -131.298 flat angles C4'-P-C4' energy: -146.359 flat angles P-C4'-P energy: -95.515 tors. eta vs tors. theta energy: -163.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1970.662549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.662549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.662549 (E_RNA) where: Base-Base interactions energy: -1389.188 where: short stacking energy: -560.740 Base-Backbone interact. energy: -3.916 local terms energy: -577.559153 where: bonds (distance) C4'-P energy: -110.002 bonds (distance) P-C4' energy: -116.058 flat angles C4'-P-C4' energy: -124.034 flat angles P-C4'-P energy: -75.202 tors. eta vs tors. theta energy: -152.263 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: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1725.963162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.963162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.963162 (E_RNA) where: Base-Base interactions energy: -1152.315 where: short stacking energy: -503.398 Base-Backbone interact. energy: -0.148 local terms energy: -573.500205 where: bonds (distance) C4'-P energy: -111.654 bonds (distance) P-C4' energy: -122.640 flat angles C4'-P-C4' energy: -125.812 flat angles P-C4'-P energy: -83.237 tors. eta vs tors. theta energy: -130.157 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: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1676.544901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.544901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.544901 (E_RNA) where: Base-Base interactions energy: -1127.153 where: short stacking energy: -485.102 Base-Backbone interact. energy: -4.974 local terms energy: -544.417851 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -116.263 flat angles C4'-P-C4' energy: -141.485 flat angles P-C4'-P energy: -58.933 tors. eta vs tors. theta energy: -119.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1603.986848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.986848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.986848 (E_RNA) where: Base-Base interactions energy: -1065.957 where: short stacking energy: -489.505 Base-Backbone interact. energy: -0.802 local terms energy: -537.228156 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -112.957 flat angles C4'-P-C4' energy: -112.686 flat angles P-C4'-P energy: -85.866 tors. eta vs tors. theta energy: -130.752 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: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1088.854937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.854937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.854937 (E_RNA) where: Base-Base interactions energy: -641.030 where: short stacking energy: -316.685 Base-Backbone interact. energy: -1.404 local terms energy: -446.420082 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -116.743 flat angles C4'-P-C4' energy: -111.708 flat angles P-C4'-P energy: -62.996 tors. eta vs tors. theta energy: -40.583 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: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -851.490741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.490741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.490741 (E_RNA) where: Base-Base interactions energy: -448.771 where: short stacking energy: -241.524 Base-Backbone interact. energy: -1.302 local terms energy: -401.417478 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -123.123 flat angles C4'-P-C4' energy: -108.250 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -26.303 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: 9, replica: 8 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -798.483910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.483910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.483910 (E_RNA) where: Base-Base interactions energy: -425.592 where: short stacking energy: -199.805 Base-Backbone interact. energy: 1.679 local terms energy: -374.570931 where: bonds (distance) C4'-P energy: -101.431 bonds (distance) P-C4' energy: -92.545 flat angles C4'-P-C4' energy: -101.036 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -13.224 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -526.352339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.352339 (E_RNA) where: Base-Base interactions energy: -211.136 where: short stacking energy: -190.891 Base-Backbone interact. energy: -0.479 local terms energy: -314.737337 where: bonds (distance) C4'-P energy: -84.441 bonds (distance) P-C4' energy: -119.714 flat angles C4'-P-C4' energy: -93.765 flat angles P-C4'-P energy: -32.416 tors. eta vs tors. theta energy: 15.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2201.130176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.130176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.130176 (E_RNA) where: Base-Base interactions energy: -1532.275 where: short stacking energy: -655.000 Base-Backbone interact. energy: -2.192 local terms energy: -666.663171 where: bonds (distance) C4'-P energy: -115.045 bonds (distance) P-C4' energy: -120.173 flat angles C4'-P-C4' energy: -144.281 flat angles P-C4'-P energy: -105.137 tors. eta vs tors. theta energy: -182.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2074.175343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.175343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.175343 (E_RNA) where: Base-Base interactions energy: -1411.266 where: short stacking energy: -614.731 Base-Backbone interact. energy: -4.814 local terms energy: -658.095068 where: bonds (distance) C4'-P energy: -120.452 bonds (distance) P-C4' energy: -125.485 flat angles C4'-P-C4' energy: -155.068 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -174.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1975.119217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.119217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.119217 (E_RNA) where: Base-Base interactions energy: -1375.264 where: short stacking energy: -557.097 Base-Backbone interact. energy: -2.492 local terms energy: -597.363547 where: bonds (distance) C4'-P energy: -121.608 bonds (distance) P-C4' energy: -119.640 flat angles C4'-P-C4' energy: -135.251 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -137.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1758.972130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.972130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.972130 (E_RNA) where: Base-Base interactions energy: -1191.862 where: short stacking energy: -514.861 Base-Backbone interact. energy: -1.555 local terms energy: -565.555157 where: bonds (distance) C4'-P energy: -117.773 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -126.039 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -120.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1668.861012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.861012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.861012 (E_RNA) where: Base-Base interactions energy: -1118.869 where: short stacking energy: -505.244 Base-Backbone interact. energy: -2.408 local terms energy: -547.584661 where: bonds (distance) C4'-P energy: -96.027 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -119.895 flat angles P-C4'-P energy: -88.794 tors. eta vs tors. theta energy: -140.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1587.714161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.714161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.714161 (E_RNA) where: Base-Base interactions energy: -1047.574 where: short stacking energy: -464.836 Base-Backbone interact. energy: -3.439 local terms energy: -536.701376 where: bonds (distance) C4'-P energy: -96.420 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -72.331 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: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1104.584955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.584955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.584955 (E_RNA) where: Base-Base interactions energy: -653.348 where: short stacking energy: -318.493 Base-Backbone interact. energy: -3.361 local terms energy: -447.876228 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -106.447 flat angles C4'-P-C4' energy: -126.312 flat angles P-C4'-P energy: -71.754 tors. eta vs tors. theta energy: -53.877 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: 189 Temperature: 1.250000 Total energy: -828.133644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.133644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.133644 (E_RNA) where: Base-Base interactions energy: -452.459 where: short stacking energy: -202.896 Base-Backbone interact. energy: -3.214 local terms energy: -372.460119 where: bonds (distance) C4'-P energy: -111.364 bonds (distance) P-C4' energy: -110.637 flat angles C4'-P-C4' energy: -87.881 flat angles P-C4'-P energy: -61.544 tors. eta vs tors. theta energy: -1.034 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: 9, replica: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -787.880168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.880168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.880168 (E_RNA) where: Base-Base interactions energy: -408.665 where: short stacking energy: -202.385 Base-Backbone interact. energy: -3.783 local terms energy: -375.432255 where: bonds (distance) C4'-P energy: -106.024 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -86.290 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -18.356 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: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -519.302324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.302324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.302324 (E_RNA) where: Base-Base interactions energy: -206.995 where: short stacking energy: -144.956 Base-Backbone interact. energy: 7.906 local terms energy: -320.214049 where: bonds (distance) C4'-P energy: -90.963 bonds (distance) P-C4' energy: -88.241 flat angles C4'-P-C4' energy: -82.147 flat angles P-C4'-P energy: -73.003 tors. eta vs tors. theta energy: 14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2183.351900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.351900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.351900 (E_RNA) where: Base-Base interactions energy: -1514.739 where: short stacking energy: -645.176 Base-Backbone interact. energy: -4.200 local terms energy: -664.412658 where: bonds (distance) C4'-P energy: -128.731 bonds (distance) P-C4' energy: -117.709 flat angles C4'-P-C4' energy: -135.119 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -184.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2096.873991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.873991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.873991 (E_RNA) where: Base-Base interactions energy: -1446.068 where: short stacking energy: -600.880 Base-Backbone interact. energy: -6.379 local terms energy: -644.426646 where: bonds (distance) C4'-P energy: -120.937 bonds (distance) P-C4' energy: -120.369 flat angles C4'-P-C4' energy: -136.160 flat angles P-C4'-P energy: -91.639 tors. eta vs tors. theta energy: -175.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1931.892878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.892878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.892878 (E_RNA) where: Base-Base interactions energy: -1338.662 where: short stacking energy: -550.637 Base-Backbone interact. energy: 0.645 local terms energy: -593.875809 where: bonds (distance) C4'-P energy: -101.333 bonds (distance) P-C4' energy: -117.530 flat angles C4'-P-C4' energy: -151.345 flat angles P-C4'-P energy: -75.745 tors. eta vs tors. theta energy: -147.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1777.293331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.293331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.293331 (E_RNA) where: Base-Base interactions energy: -1202.460 where: short stacking energy: -523.171 Base-Backbone interact. energy: -3.680 local terms energy: -571.153292 where: bonds (distance) C4'-P energy: -109.347 bonds (distance) P-C4' energy: -118.555 flat angles C4'-P-C4' energy: -132.539 flat angles P-C4'-P energy: -71.801 tors. eta vs tors. theta energy: -138.912 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: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1711.296524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.296524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.296524 (E_RNA) where: Base-Base interactions energy: -1140.521 where: short stacking energy: -508.158 Base-Backbone interact. energy: -2.403 local terms energy: -568.372833 where: bonds (distance) C4'-P energy: -113.219 bonds (distance) P-C4' energy: -101.647 flat angles C4'-P-C4' energy: -134.021 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -138.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1597.171626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.171626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.171626 (E_RNA) where: Base-Base interactions energy: -1067.709 where: short stacking energy: -488.036 Base-Backbone interact. energy: -0.256 local terms energy: -529.206986 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -110.589 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -75.498 tors. eta vs tors. theta energy: -141.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1149.278669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.278669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.278669 (E_RNA) where: Base-Base interactions energy: -689.814 where: short stacking energy: -336.837 Base-Backbone interact. energy: -1.172 local terms energy: -458.292488 where: bonds (distance) C4'-P energy: -111.082 bonds (distance) P-C4' energy: -108.804 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -71.732 tors. eta vs tors. theta energy: -53.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -965.992233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.992233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.992233 (E_RNA) where: Base-Base interactions energy: -581.308 where: short stacking energy: -289.821 Base-Backbone interact. energy: 1.072 local terms energy: -385.755647 where: bonds (distance) C4'-P energy: -111.747 bonds (distance) P-C4' energy: -108.012 flat angles C4'-P-C4' energy: -87.709 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -36.887 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: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -820.910577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.910577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.910577 (E_RNA) where: Base-Base interactions energy: -454.602 where: short stacking energy: -256.756 Base-Backbone interact. energy: -0.097 local terms energy: -366.211901 where: bonds (distance) C4'-P energy: -108.083 bonds (distance) P-C4' energy: -93.835 flat angles C4'-P-C4' energy: -80.331 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: -24.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -506.451811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.451811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.451811 (E_RNA) where: Base-Base interactions energy: -198.156 where: short stacking energy: -149.713 Base-Backbone interact. energy: 8.423 local terms energy: -316.719490 where: bonds (distance) C4'-P energy: -90.713 bonds (distance) P-C4' energy: -98.539 flat angles C4'-P-C4' energy: -93.158 flat angles P-C4'-P energy: -58.689 tors. eta vs tors. theta energy: 24.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2187.766759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.766759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.766759 (E_RNA) where: Base-Base interactions energy: -1500.975 where: short stacking energy: -644.964 Base-Backbone interact. energy: 1.666 local terms energy: -688.458017 where: bonds (distance) C4'-P energy: -122.613 bonds (distance) P-C4' energy: -126.793 flat angles C4'-P-C4' energy: -153.724 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -193.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2079.598618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.598618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.598618 (E_RNA) where: Base-Base interactions energy: -1421.668 where: short stacking energy: -598.717 Base-Backbone interact. energy: -4.819 local terms energy: -653.111597 where: bonds (distance) C4'-P energy: -115.965 bonds (distance) P-C4' energy: -129.080 flat angles C4'-P-C4' energy: -137.322 flat angles P-C4'-P energy: -100.369 tors. eta vs tors. theta energy: -170.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1967.902801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.902801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.902801 (E_RNA) where: Base-Base interactions energy: -1352.138 where: short stacking energy: -570.631 Base-Backbone interact. energy: 4.777 local terms energy: -620.542439 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -91.965 tors. eta vs tors. theta energy: -148.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1798.454246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.454246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.454246 (E_RNA) where: Base-Base interactions energy: -1212.744 where: short stacking energy: -519.531 Base-Backbone interact. energy: -3.970 local terms energy: -581.740658 where: bonds (distance) C4'-P energy: -108.975 bonds (distance) P-C4' energy: -104.258 flat angles C4'-P-C4' energy: -139.885 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -135.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1698.662705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.662705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.662705 (E_RNA) where: Base-Base interactions energy: -1138.262 where: short stacking energy: -480.201 Base-Backbone interact. energy: 0.392 local terms energy: -560.792747 where: bonds (distance) C4'-P energy: -109.914 bonds (distance) P-C4' energy: -104.294 flat angles C4'-P-C4' energy: -120.644 flat angles P-C4'-P energy: -91.084 tors. eta vs tors. theta energy: -134.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1617.842698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.842698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.842698 (E_RNA) where: Base-Base interactions energy: -1084.313 where: short stacking energy: -487.421 Base-Backbone interact. energy: -1.257 local terms energy: -532.273275 where: bonds (distance) C4'-P energy: -98.362 bonds (distance) P-C4' energy: -106.656 flat angles C4'-P-C4' energy: -129.108 flat angles P-C4'-P energy: -77.042 tors. eta vs tors. theta energy: -121.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1197.381998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.381998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.381998 (E_RNA) where: Base-Base interactions energy: -735.821 where: short stacking energy: -372.721 Base-Backbone interact. energy: -0.201 local terms energy: -461.360612 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -114.643 flat angles C4'-P-C4' energy: -111.157 flat angles P-C4'-P energy: -62.075 tors. eta vs tors. theta energy: -79.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -925.699478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.699478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.699478 (E_RNA) where: Base-Base interactions energy: -512.969 where: short stacking energy: -270.387 Base-Backbone interact. energy: 1.489 local terms energy: -414.219407 where: bonds (distance) C4'-P energy: -96.441 bonds (distance) P-C4' energy: -111.682 flat angles C4'-P-C4' energy: -92.787 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -37.999 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: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -813.225573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.225573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.225573 (E_RNA) where: Base-Base interactions energy: -436.613 where: short stacking energy: -222.875 Base-Backbone interact. energy: -0.676 local terms energy: -375.936213 where: bonds (distance) C4'-P energy: -98.408 bonds (distance) P-C4' energy: -108.763 flat angles C4'-P-C4' energy: -85.394 flat angles P-C4'-P energy: -58.069 tors. eta vs tors. theta energy: -25.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -512.256825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.256825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.256825 (E_RNA) where: Base-Base interactions energy: -197.283 where: short stacking energy: -127.632 Base-Backbone interact. energy: -0.739 local terms energy: -314.234263 where: bonds (distance) C4'-P energy: -103.684 bonds (distance) P-C4' energy: -116.928 flat angles C4'-P-C4' energy: -75.601 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: 39.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2205.154865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.154865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.154865 (E_RNA) where: Base-Base interactions energy: -1522.664 where: short stacking energy: -650.627 Base-Backbone interact. energy: 0.544 local terms energy: -683.034262 where: bonds (distance) C4'-P energy: -120.308 bonds (distance) P-C4' energy: -127.368 flat angles C4'-P-C4' energy: -155.848 flat angles P-C4'-P energy: -94.297 tors. eta vs tors. theta energy: -185.213 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: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2072.636357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.636357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.636357 (E_RNA) where: Base-Base interactions energy: -1450.368 where: short stacking energy: -595.071 Base-Backbone interact. energy: 3.792 local terms energy: -626.060131 where: bonds (distance) C4'-P energy: -114.720 bonds (distance) P-C4' energy: -117.213 flat angles C4'-P-C4' energy: -131.505 flat angles P-C4'-P energy: -93.990 tors. eta vs tors. theta energy: -168.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1951.365302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.365302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.365302 (E_RNA) where: Base-Base interactions energy: -1352.590 where: short stacking energy: -574.942 Base-Backbone interact. energy: 0.254 local terms energy: -599.029284 where: bonds (distance) C4'-P energy: -110.548 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -129.160 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: -151.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1810.560522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.560522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.560522 (E_RNA) where: Base-Base interactions energy: -1215.140 where: short stacking energy: -502.764 Base-Backbone interact. energy: -2.832 local terms energy: -592.588337 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -120.067 flat angles C4'-P-C4' energy: -121.682 flat angles P-C4'-P energy: -100.402 tors. eta vs tors. theta energy: -133.300 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: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1722.601831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.601831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.601831 (E_RNA) where: Base-Base interactions energy: -1183.525 where: short stacking energy: -496.325 Base-Backbone interact. energy: -2.067 local terms energy: -537.010024 where: bonds (distance) C4'-P energy: -102.573 bonds (distance) P-C4' energy: -111.317 flat angles C4'-P-C4' energy: -114.428 flat angles P-C4'-P energy: -79.677 tors. eta vs tors. theta energy: -129.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1628.971875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.971875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.971875 (E_RNA) where: Base-Base interactions energy: -1068.299 where: short stacking energy: -484.255 Base-Backbone interact. energy: -2.590 local terms energy: -558.082479 where: bonds (distance) C4'-P energy: -105.746 bonds (distance) P-C4' energy: -123.599 flat angles C4'-P-C4' energy: -125.631 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -138.931 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: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1206.044260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.044260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.044260 (E_RNA) where: Base-Base interactions energy: -713.724 where: short stacking energy: -346.906 Base-Backbone interact. energy: 0.013 local terms energy: -492.332809 where: bonds (distance) C4'-P energy: -99.933 bonds (distance) P-C4' energy: -115.275 flat angles C4'-P-C4' energy: -123.611 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -87.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -863.209862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.209862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.209862 (E_RNA) where: Base-Base interactions energy: -457.414 where: short stacking energy: -264.813 Base-Backbone interact. energy: -1.283 local terms energy: -404.512461 where: bonds (distance) C4'-P energy: -103.578 bonds (distance) P-C4' energy: -109.543 flat angles C4'-P-C4' energy: -97.388 flat angles P-C4'-P energy: -66.645 tors. eta vs tors. theta energy: -27.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -880.732968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.732968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.732968 (E_RNA) where: Base-Base interactions energy: -486.015 where: short stacking energy: -245.417 Base-Backbone interact. energy: -0.438 local terms energy: -394.279946 where: bonds (distance) C4'-P energy: -100.454 bonds (distance) P-C4' energy: -94.796 flat angles C4'-P-C4' energy: -96.145 flat angles P-C4'-P energy: -74.364 tors. eta vs tors. theta energy: -28.521 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: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -517.578001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.578001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.578001 (E_RNA) where: Base-Base interactions energy: -207.418 where: short stacking energy: -144.354 Base-Backbone interact. energy: 5.145 local terms energy: -315.304470 where: bonds (distance) C4'-P energy: -96.391 bonds (distance) P-C4' energy: -104.486 flat angles C4'-P-C4' energy: -83.802 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: 17.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2197.810168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.810168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.810168 (E_RNA) where: Base-Base interactions energy: -1506.356 where: short stacking energy: -633.859 Base-Backbone interact. energy: -1.147 local terms energy: -690.307120 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -139.107 flat angles C4'-P-C4' energy: -145.367 flat angles P-C4'-P energy: -92.583 tors. eta vs tors. theta energy: -188.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2040.149505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.149505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.149505 (E_RNA) where: Base-Base interactions energy: -1406.278 where: short stacking energy: -574.886 Base-Backbone interact. energy: -3.811 local terms energy: -630.060115 where: bonds (distance) C4'-P energy: -113.531 bonds (distance) P-C4' energy: -123.051 flat angles C4'-P-C4' energy: -140.629 flat angles P-C4'-P energy: -91.291 tors. eta vs tors. theta energy: -161.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2011.843227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.843227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.843227 (E_RNA) where: Base-Base interactions energy: -1415.463 where: short stacking energy: -578.436 Base-Backbone interact. energy: 2.299 local terms energy: -598.679784 where: bonds (distance) C4'-P energy: -101.786 bonds (distance) P-C4' energy: -121.357 flat angles C4'-P-C4' energy: -141.113 flat angles P-C4'-P energy: -85.177 tors. eta vs tors. theta energy: -149.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1862.802605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.802605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.802605 (E_RNA) where: Base-Base interactions energy: -1257.380 where: short stacking energy: -540.725 Base-Backbone interact. energy: -5.759 local terms energy: -599.663398 where: bonds (distance) C4'-P energy: -105.877 bonds (distance) P-C4' energy: -131.942 flat angles C4'-P-C4' energy: -138.887 flat angles P-C4'-P energy: -80.671 tors. eta vs tors. theta energy: -142.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1737.816529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.816529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.816529 (E_RNA) where: Base-Base interactions energy: -1198.009 where: short stacking energy: -503.896 Base-Backbone interact. energy: 1.284 local terms energy: -541.092319 where: bonds (distance) C4'-P energy: -107.287 bonds (distance) P-C4' energy: -101.292 flat angles C4'-P-C4' energy: -129.452 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -140.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1629.649756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.649756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.649756 (E_RNA) where: Base-Base interactions energy: -1051.578 where: short stacking energy: -449.958 Base-Backbone interact. energy: -1.269 local terms energy: -576.802984 where: bonds (distance) C4'-P energy: -108.299 bonds (distance) P-C4' energy: -112.658 flat angles C4'-P-C4' energy: -139.131 flat angles P-C4'-P energy: -85.069 tors. eta vs tors. theta energy: -131.646 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: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1149.579756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.579756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.579756 (E_RNA) where: Base-Base interactions energy: -668.196 where: short stacking energy: -332.926 Base-Backbone interact. energy: 0.717 local terms energy: -482.100725 where: bonds (distance) C4'-P energy: -116.858 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -115.156 flat angles P-C4'-P energy: -73.226 tors. eta vs tors. theta energy: -74.356 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: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -958.525882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.525882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.525882 (E_RNA) where: Base-Base interactions energy: -573.844 where: short stacking energy: -307.349 Base-Backbone interact. energy: -4.217 local terms energy: -380.464835 where: bonds (distance) C4'-P energy: -74.401 bonds (distance) P-C4' energy: -111.565 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -58.508 tors. eta vs tors. theta energy: -38.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -811.744055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.744055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.744055 (E_RNA) where: Base-Base interactions energy: -444.285 where: short stacking energy: -225.494 Base-Backbone interact. energy: -3.556 local terms energy: -363.903246 where: bonds (distance) C4'-P energy: -105.877 bonds (distance) P-C4' energy: -112.880 flat angles C4'-P-C4' energy: -80.536 flat angles P-C4'-P energy: -60.910 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -519.845810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.845810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.845810 (E_RNA) where: Base-Base interactions energy: -170.200 where: short stacking energy: -125.137 Base-Backbone interact. energy: 0.231 local terms energy: -349.876250 where: bonds (distance) C4'-P energy: -108.164 bonds (distance) P-C4' energy: -94.466 flat angles C4'-P-C4' energy: -94.940 flat angles P-C4'-P energy: -70.250 tors. eta vs tors. theta energy: 17.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2170.252768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.252768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.252768 (E_RNA) where: Base-Base interactions energy: -1524.065 where: short stacking energy: -632.782 Base-Backbone interact. energy: -0.202 local terms energy: -645.986037 where: bonds (distance) C4'-P energy: -114.330 bonds (distance) P-C4' energy: -125.450 flat angles C4'-P-C4' energy: -125.385 flat angles P-C4'-P energy: -92.355 tors. eta vs tors. theta energy: -188.466 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2029.174289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.174289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.174289 (E_RNA) where: Base-Base interactions energy: -1383.839 where: short stacking energy: -565.929 Base-Backbone interact. energy: -4.597 local terms energy: -640.737671 where: bonds (distance) C4'-P energy: -131.427 bonds (distance) P-C4' energy: -124.101 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -95.281 tors. eta vs tors. theta energy: -154.530 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: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1996.508149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.508149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.508149 (E_RNA) where: Base-Base interactions energy: -1364.317 where: short stacking energy: -585.612 Base-Backbone interact. energy: -0.532 local terms energy: -631.659557 where: bonds (distance) C4'-P energy: -123.997 bonds (distance) P-C4' energy: -113.004 flat angles C4'-P-C4' energy: -133.735 flat angles P-C4'-P energy: -93.436 tors. eta vs tors. theta energy: -167.487 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: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1906.858710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.858710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.858710 (E_RNA) where: Base-Base interactions energy: -1327.050 where: short stacking energy: -541.336 Base-Backbone interact. energy: -3.162 local terms energy: -576.647126 where: bonds (distance) C4'-P energy: -116.736 bonds (distance) P-C4' energy: -111.824 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -64.622 tors. eta vs tors. theta energy: -154.849 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: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1742.917100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.917100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.917100 (E_RNA) where: Base-Base interactions energy: -1171.063 where: short stacking energy: -532.143 Base-Backbone interact. energy: -4.361 local terms energy: -567.493169 where: bonds (distance) C4'-P energy: -116.929 bonds (distance) P-C4' energy: -101.801 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -80.895 tors. eta vs tors. theta energy: -145.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1648.042044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.042044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.042044 (E_RNA) where: Base-Base interactions energy: -1132.677 where: short stacking energy: -480.288 Base-Backbone interact. energy: -6.894 local terms energy: -508.470245 where: bonds (distance) C4'-P energy: -101.054 bonds (distance) P-C4' energy: -99.647 flat angles C4'-P-C4' energy: -117.141 flat angles P-C4'-P energy: -75.772 tors. eta vs tors. theta energy: -114.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1221.857104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.857104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.857104 (E_RNA) where: Base-Base interactions energy: -752.135 where: short stacking energy: -355.254 Base-Backbone interact. energy: -4.165 local terms energy: -465.557055 where: bonds (distance) C4'-P energy: -112.992 bonds (distance) P-C4' energy: -106.498 flat angles C4'-P-C4' energy: -103.299 flat angles P-C4'-P energy: -67.427 tors. eta vs tors. theta energy: -75.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1002.747178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.747178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.747178 (E_RNA) where: Base-Base interactions energy: -590.597 where: short stacking energy: -285.272 Base-Backbone interact. energy: -0.328 local terms energy: -411.821828 where: bonds (distance) C4'-P energy: -111.207 bonds (distance) P-C4' energy: -96.398 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -64.970 tors. eta vs tors. theta energy: -48.441 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: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -783.489303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.489303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.489303 (E_RNA) where: Base-Base interactions energy: -391.065 where: short stacking energy: -221.666 Base-Backbone interact. energy: -1.793 local terms energy: -390.630884 where: bonds (distance) C4'-P energy: -96.087 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -91.302 flat angles P-C4'-P energy: -69.979 tors. eta vs tors. theta energy: -22.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -547.102368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.102368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.102368 (E_RNA) where: Base-Base interactions energy: -221.833 where: short stacking energy: -165.827 Base-Backbone interact. energy: -1.465 local terms energy: -323.805044 where: bonds (distance) C4'-P energy: -90.540 bonds (distance) P-C4' energy: -120.480 flat angles C4'-P-C4' energy: -83.837 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: 17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2188.679903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.679903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.679903 (E_RNA) where: Base-Base interactions energy: -1508.814 where: short stacking energy: -632.552 Base-Backbone interact. energy: -3.047 local terms energy: -676.818672 where: bonds (distance) C4'-P energy: -120.592 bonds (distance) P-C4' energy: -127.576 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -96.165 tors. eta vs tors. theta energy: -190.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2030.403830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.403830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.403830 (E_RNA) where: Base-Base interactions energy: -1403.858 where: short stacking energy: -559.219 Base-Backbone interact. energy: 3.015 local terms energy: -629.561170 where: bonds (distance) C4'-P energy: -133.763 bonds (distance) P-C4' energy: -122.542 flat angles C4'-P-C4' energy: -132.079 flat angles P-C4'-P energy: -87.078 tors. eta vs tors. theta energy: -154.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2030.134794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.134794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.134794 (E_RNA) where: Base-Base interactions energy: -1440.438 where: short stacking energy: -588.243 Base-Backbone interact. energy: 6.881 local terms energy: -596.577291 where: bonds (distance) C4'-P energy: -107.346 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -137.435 flat angles P-C4'-P energy: -77.265 tors. eta vs tors. theta energy: -156.345 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: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1909.313633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.313633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.313633 (E_RNA) where: Base-Base interactions energy: -1332.452 where: short stacking energy: -551.188 Base-Backbone interact. energy: -3.674 local terms energy: -573.187572 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -105.328 flat angles C4'-P-C4' energy: -133.651 flat angles P-C4'-P energy: -81.485 tors. eta vs tors. theta energy: -150.619 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: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1729.416940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.416940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.416940 (E_RNA) where: Base-Base interactions energy: -1133.086 where: short stacking energy: -489.791 Base-Backbone interact. energy: -5.245 local terms energy: -591.085846 where: bonds (distance) C4'-P energy: -115.301 bonds (distance) P-C4' energy: -116.697 flat angles C4'-P-C4' energy: -129.046 flat angles P-C4'-P energy: -88.512 tors. eta vs tors. theta energy: -141.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1659.704540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.704540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.704540 (E_RNA) where: Base-Base interactions energy: -1118.655 where: short stacking energy: -502.598 Base-Backbone interact. energy: 4.345 local terms energy: -545.394300 where: bonds (distance) C4'-P energy: -93.549 bonds (distance) P-C4' energy: -102.272 flat angles C4'-P-C4' energy: -128.797 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: -137.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1258.541619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.541619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.541619 (E_RNA) where: Base-Base interactions energy: -792.912 where: short stacking energy: -383.335 Base-Backbone interact. energy: 0.982 local terms energy: -466.611692 where: bonds (distance) C4'-P energy: -93.059 bonds (distance) P-C4' energy: -98.693 flat angles C4'-P-C4' energy: -118.907 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -89.380 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: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -945.822934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.822934 (E_RNA) where: Base-Base interactions energy: -554.019 where: short stacking energy: -275.099 Base-Backbone interact. energy: -2.971 local terms energy: -388.832559 where: bonds (distance) C4'-P energy: -103.507 bonds (distance) P-C4' energy: -97.324 flat angles C4'-P-C4' energy: -104.313 flat angles P-C4'-P energy: -57.525 tors. eta vs tors. theta energy: -26.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -733.738534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.738534 (E_RNA) where: Base-Base interactions energy: -364.618 where: short stacking energy: -194.250 Base-Backbone interact. energy: -0.218 local terms energy: -368.902584 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -104.868 flat angles C4'-P-C4' energy: -95.646 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -23.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -495.144393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.144393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.144393 (E_RNA) where: Base-Base interactions energy: -180.558 where: short stacking energy: -151.750 Base-Backbone interact. energy: 0.437 local terms energy: -315.023775 where: bonds (distance) C4'-P energy: -85.049 bonds (distance) P-C4' energy: -123.453 flat angles C4'-P-C4' energy: -85.482 flat angles P-C4'-P energy: -42.023 tors. eta vs tors. theta energy: 20.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2163.375276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.375276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.375276 (E_RNA) where: Base-Base interactions energy: -1499.134 where: short stacking energy: -651.700 Base-Backbone interact. energy: -2.591 local terms energy: -661.650506 where: bonds (distance) C4'-P energy: -106.885 bonds (distance) P-C4' energy: -132.524 flat angles C4'-P-C4' energy: -143.004 flat angles P-C4'-P energy: -92.051 tors. eta vs tors. theta energy: -187.187 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: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2088.802488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.802488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.802488 (E_RNA) where: Base-Base interactions energy: -1439.063 where: short stacking energy: -598.736 Base-Backbone interact. energy: -1.058 local terms energy: -648.682276 where: bonds (distance) C4'-P energy: -121.328 bonds (distance) P-C4' energy: -124.294 flat angles C4'-P-C4' energy: -142.541 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -162.423 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: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1968.237278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.237278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.237278 (E_RNA) where: Base-Base interactions energy: -1365.649 where: short stacking energy: -581.307 Base-Backbone interact. energy: 0.600 local terms energy: -603.188186 where: bonds (distance) C4'-P energy: -108.023 bonds (distance) P-C4' energy: -128.944 flat angles C4'-P-C4' energy: -122.198 flat angles P-C4'-P energy: -84.486 tors. eta vs tors. theta energy: -159.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1896.913858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.913858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.913858 (E_RNA) where: Base-Base interactions energy: -1279.397 where: short stacking energy: -554.646 Base-Backbone interact. energy: 1.002 local terms energy: -618.519532 where: bonds (distance) C4'-P energy: -131.030 bonds (distance) P-C4' energy: -109.067 flat angles C4'-P-C4' energy: -137.599 flat angles P-C4'-P energy: -87.240 tors. eta vs tors. theta energy: -153.584 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1675.174401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.174401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.174401 (E_RNA) where: Base-Base interactions energy: -1103.993 where: short stacking energy: -480.389 Base-Backbone interact. energy: -4.144 local terms energy: -567.037706 where: bonds (distance) C4'-P energy: -109.838 bonds (distance) P-C4' energy: -119.443 flat angles C4'-P-C4' energy: -115.601 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -138.576 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: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1614.364020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.364020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.364020 (E_RNA) where: Base-Base interactions energy: -1077.152 where: short stacking energy: -455.530 Base-Backbone interact. energy: 0.125 local terms energy: -537.337522 where: bonds (distance) C4'-P energy: -112.380 bonds (distance) P-C4' energy: -109.627 flat angles C4'-P-C4' energy: -123.670 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -131.776 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: 10 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1389.580989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.580989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.580989 (E_RNA) where: Base-Base interactions energy: -893.878 where: short stacking energy: -425.403 Base-Backbone interact. energy: -0.112 local terms energy: -495.590959 where: bonds (distance) C4'-P energy: -91.183 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -104.889 flat angles P-C4'-P energy: -82.602 tors. eta vs tors. theta energy: -98.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -968.329622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.329622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.329622 (E_RNA) where: Base-Base interactions energy: -585.580 where: short stacking energy: -295.069 Base-Backbone interact. energy: 2.661 local terms energy: -385.410778 where: bonds (distance) C4'-P energy: -85.160 bonds (distance) P-C4' energy: -114.739 flat angles C4'-P-C4' energy: -112.357 flat angles P-C4'-P energy: -49.183 tors. eta vs tors. theta energy: -23.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -724.911737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.911737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.911737 (E_RNA) where: Base-Base interactions energy: -374.425 where: short stacking energy: -237.297 Base-Backbone interact. energy: -2.908 local terms energy: -347.577978 where: bonds (distance) C4'-P energy: -82.198 bonds (distance) P-C4' energy: -128.971 flat angles C4'-P-C4' energy: -85.384 flat angles P-C4'-P energy: -43.295 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: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -544.160768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.160768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.160768 (E_RNA) where: Base-Base interactions energy: -221.886 where: short stacking energy: -158.060 Base-Backbone interact. energy: 0.409 local terms energy: -322.683776 where: bonds (distance) C4'-P energy: -106.748 bonds (distance) P-C4' energy: -104.972 flat angles C4'-P-C4' energy: -90.137 flat angles P-C4'-P energy: -40.122 tors. eta vs tors. theta energy: 19.295 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: 197 Temperature: 0.900000 Total energy: -2180.573115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.573115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.573115 (E_RNA) where: Base-Base interactions energy: -1513.750 where: short stacking energy: -648.895 Base-Backbone interact. energy: -0.998 local terms energy: -665.825008 where: bonds (distance) C4'-P energy: -127.120 bonds (distance) P-C4' energy: -112.117 flat angles C4'-P-C4' energy: -146.323 flat angles P-C4'-P energy: -99.178 tors. eta vs tors. theta energy: -181.087 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: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2090.318072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.318072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.318072 (E_RNA) where: Base-Base interactions energy: -1474.772 where: short stacking energy: -591.331 Base-Backbone interact. energy: -6.048 local terms energy: -609.498190 where: bonds (distance) C4'-P energy: -125.887 bonds (distance) P-C4' energy: -115.346 flat angles C4'-P-C4' energy: -128.809 flat angles P-C4'-P energy: -83.165 tors. eta vs tors. theta energy: -156.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2003.249603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.249603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.249603 (E_RNA) where: Base-Base interactions energy: -1380.243 where: short stacking energy: -554.072 Base-Backbone interact. energy: 1.522 local terms energy: -624.528772 where: bonds (distance) C4'-P energy: -118.127 bonds (distance) P-C4' energy: -127.046 flat angles C4'-P-C4' energy: -131.929 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -166.056 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: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1853.008527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.008527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.008527 (E_RNA) where: Base-Base interactions energy: -1277.693 where: short stacking energy: -555.463 Base-Backbone interact. energy: -1.700 local terms energy: -573.615549 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -104.925 flat angles C4'-P-C4' energy: -114.156 flat angles P-C4'-P energy: -87.439 tors. eta vs tors. theta energy: -151.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1726.235725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.235725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.235725 (E_RNA) where: Base-Base interactions energy: -1148.152 where: short stacking energy: -501.153 Base-Backbone interact. energy: -2.888 local terms energy: -575.196351 where: bonds (distance) C4'-P energy: -117.055 bonds (distance) P-C4' energy: -115.266 flat angles C4'-P-C4' energy: -125.962 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -139.434 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: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1635.999673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.999673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.999673 (E_RNA) where: Base-Base interactions energy: -1092.393 where: short stacking energy: -520.622 Base-Backbone interact. energy: -1.237 local terms energy: -542.369092 where: bonds (distance) C4'-P energy: -113.712 bonds (distance) P-C4' energy: -97.730 flat angles C4'-P-C4' energy: -108.661 flat angles P-C4'-P energy: -83.813 tors. eta vs tors. theta energy: -138.454 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: 10 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1342.153609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.153609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.153609 (E_RNA) where: Base-Base interactions energy: -863.767 where: short stacking energy: -389.080 Base-Backbone interact. energy: -2.264 local terms energy: -476.122777 where: bonds (distance) C4'-P energy: -110.226 bonds (distance) P-C4' energy: -107.630 flat angles C4'-P-C4' energy: -115.221 flat angles P-C4'-P energy: -67.093 tors. eta vs tors. theta energy: -75.952 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: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -981.110670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.110670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.110670 (E_RNA) where: Base-Base interactions energy: -569.636 where: short stacking energy: -269.867 Base-Backbone interact. energy: 4.409 local terms energy: -415.883722 where: bonds (distance) C4'-P energy: -110.800 bonds (distance) P-C4' energy: -107.890 flat angles C4'-P-C4' energy: -99.522 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: -36.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -739.640458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.640458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.640458 (E_RNA) where: Base-Base interactions energy: -384.381 where: short stacking energy: -209.650 Base-Backbone interact. energy: 3.117 local terms energy: -358.376769 where: bonds (distance) C4'-P energy: -127.001 bonds (distance) P-C4' energy: -114.172 flat angles C4'-P-C4' energy: -82.380 flat angles P-C4'-P energy: -36.042 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -527.305592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.305592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.305592 (E_RNA) where: Base-Base interactions energy: -186.044 where: short stacking energy: -136.401 Base-Backbone interact. energy: 3.310 local terms energy: -344.571751 where: bonds (distance) C4'-P energy: -111.774 bonds (distance) P-C4' energy: -107.544 flat angles C4'-P-C4' energy: -94.143 flat angles P-C4'-P energy: -55.183 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: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2198.429158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.429158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.429158 (E_RNA) where: Base-Base interactions energy: -1521.055 where: short stacking energy: -654.521 Base-Backbone interact. energy: 0.984 local terms energy: -678.358144 where: bonds (distance) C4'-P energy: -120.058 bonds (distance) P-C4' energy: -129.878 flat angles C4'-P-C4' energy: -145.580 flat angles P-C4'-P energy: -97.162 tors. eta vs tors. theta energy: -185.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2095.002938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.002938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.002938 (E_RNA) where: Base-Base interactions energy: -1481.779 where: short stacking energy: -630.764 Base-Backbone interact. energy: -2.572 local terms energy: -610.652015 where: bonds (distance) C4'-P energy: -111.328 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -135.984 flat angles P-C4'-P energy: -85.811 tors. eta vs tors. theta energy: -160.887 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: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1973.188082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.188082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.188082 (E_RNA) where: Base-Base interactions energy: -1371.068 where: short stacking energy: -558.839 Base-Backbone interact. energy: 0.114 local terms energy: -602.233263 where: bonds (distance) C4'-P energy: -112.949 bonds (distance) P-C4' energy: -115.494 flat angles C4'-P-C4' energy: -133.157 flat angles P-C4'-P energy: -82.377 tors. eta vs tors. theta energy: -158.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1855.063485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.063485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.063485 (E_RNA) where: Base-Base interactions energy: -1265.826 where: short stacking energy: -545.289 Base-Backbone interact. energy: -2.762 local terms energy: -586.475401 where: bonds (distance) C4'-P energy: -110.279 bonds (distance) P-C4' energy: -123.176 flat angles C4'-P-C4' energy: -116.048 flat angles P-C4'-P energy: -85.634 tors. eta vs tors. theta energy: -151.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1704.047242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.047242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.047242 (E_RNA) where: Base-Base interactions energy: -1125.842 where: short stacking energy: -512.245 Base-Backbone interact. energy: -2.144 local terms energy: -576.061136 where: bonds (distance) C4'-P energy: -101.535 bonds (distance) P-C4' energy: -122.381 flat angles C4'-P-C4' energy: -128.429 flat angles P-C4'-P energy: -84.210 tors. eta vs tors. theta energy: -139.507 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: 198 Temperature: 1.150000 Total energy: -1616.018643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.018643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.018643 (E_RNA) where: Base-Base interactions energy: -1073.731 where: short stacking energy: -484.571 Base-Backbone interact. energy: -0.579 local terms energy: -541.708756 where: bonds (distance) C4'-P energy: -114.166 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -119.679 flat angles P-C4'-P energy: -74.403 tors. eta vs tors. theta energy: -119.787 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: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1381.081248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.081248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.081248 (E_RNA) where: Base-Base interactions energy: -933.964 where: short stacking energy: -412.112 Base-Backbone interact. energy: 0.754 local terms energy: -447.871567 where: bonds (distance) C4'-P energy: -91.399 bonds (distance) P-C4' energy: -93.127 flat angles C4'-P-C4' energy: -118.528 flat angles P-C4'-P energy: -62.394 tors. eta vs tors. theta energy: -82.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -998.126995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.126995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.126995 (E_RNA) where: Base-Base interactions energy: -598.188 where: short stacking energy: -290.486 Base-Backbone interact. energy: -3.575 local terms energy: -396.363096 where: bonds (distance) C4'-P energy: -98.464 bonds (distance) P-C4' energy: -112.696 flat angles C4'-P-C4' energy: -102.009 flat angles P-C4'-P energy: -59.791 tors. eta vs tors. theta energy: -23.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -707.489498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.489498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.489498 (E_RNA) where: Base-Base interactions energy: -345.064 where: short stacking energy: -203.829 Base-Backbone interact. energy: -0.968 local terms energy: -361.457767 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -108.289 flat angles C4'-P-C4' energy: -90.320 flat angles P-C4'-P energy: -63.265 tors. eta vs tors. theta energy: 2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -500.071739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.071739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.071739 (E_RNA) where: Base-Base interactions energy: -146.776 where: short stacking energy: -124.492 Base-Backbone interact. energy: 9.189 local terms energy: -362.484639 where: bonds (distance) C4'-P energy: -104.197 bonds (distance) P-C4' energy: -122.040 flat angles C4'-P-C4' energy: -104.533 flat angles P-C4'-P energy: -55.629 tors. eta vs tors. theta energy: 23.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2166.395709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.395709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.395709 (E_RNA) where: Base-Base interactions energy: -1481.445 where: short stacking energy: -620.743 Base-Backbone interact. energy: -4.071 local terms energy: -680.879570 where: bonds (distance) C4'-P energy: -121.691 bonds (distance) P-C4' energy: -134.166 flat angles C4'-P-C4' energy: -144.690 flat angles P-C4'-P energy: -97.407 tors. eta vs tors. theta energy: -182.926 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: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2083.442391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.442391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.442391 (E_RNA) where: Base-Base interactions energy: -1464.098 where: short stacking energy: -622.369 Base-Backbone interact. energy: -2.298 local terms energy: -617.046359 where: bonds (distance) C4'-P energy: -113.547 bonds (distance) P-C4' energy: -121.470 flat angles C4'-P-C4' energy: -132.595 flat angles P-C4'-P energy: -90.033 tors. eta vs tors. theta energy: -159.402 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: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1965.746184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.746184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.746184 (E_RNA) where: Base-Base interactions energy: -1338.888 where: short stacking energy: -543.991 Base-Backbone interact. energy: -3.416 local terms energy: -623.442280 where: bonds (distance) C4'-P energy: -121.826 bonds (distance) P-C4' energy: -121.553 flat angles C4'-P-C4' energy: -137.131 flat angles P-C4'-P energy: -93.797 tors. eta vs tors. theta energy: -149.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1845.482788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.482788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.482788 (E_RNA) where: Base-Base interactions energy: -1236.158 where: short stacking energy: -547.731 Base-Backbone interact. energy: -4.127 local terms energy: -605.197706 where: bonds (distance) C4'-P energy: -104.816 bonds (distance) P-C4' energy: -119.633 flat angles C4'-P-C4' energy: -128.714 flat angles P-C4'-P energy: -97.794 tors. eta vs tors. theta energy: -154.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1719.663311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.663311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.663311 (E_RNA) where: Base-Base interactions energy: -1122.717 where: short stacking energy: -484.462 Base-Backbone interact. energy: -2.405 local terms energy: -594.541598 where: bonds (distance) C4'-P energy: -121.557 bonds (distance) P-C4' energy: -116.502 flat angles C4'-P-C4' energy: -127.964 flat angles P-C4'-P energy: -90.357 tors. eta vs tors. theta energy: -138.162 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: 199 Temperature: 1.150000 Total energy: -1618.299815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.299815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.299815 (E_RNA) where: Base-Base interactions energy: -1096.225 where: short stacking energy: -495.780 Base-Backbone interact. energy: -1.890 local terms energy: -520.185202 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -99.669 flat angles C4'-P-C4' energy: -121.007 flat angles P-C4'-P energy: -80.783 tors. eta vs tors. theta energy: -116.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1405.676960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.676960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.676960 (E_RNA) where: Base-Base interactions energy: -911.330 where: short stacking energy: -405.395 Base-Backbone interact. energy: -3.034 local terms energy: -491.312780 where: bonds (distance) C4'-P energy: -96.863 bonds (distance) P-C4' energy: -94.373 flat angles C4'-P-C4' energy: -121.703 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -98.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -977.503156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.503156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.503156 (E_RNA) where: Base-Base interactions energy: -560.458 where: short stacking energy: -312.423 Base-Backbone interact. energy: -0.628 local terms energy: -416.417378 where: bonds (distance) C4'-P energy: -91.015 bonds (distance) P-C4' energy: -96.465 flat angles C4'-P-C4' energy: -101.231 flat angles P-C4'-P energy: -64.746 tors. eta vs tors. theta energy: -62.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -733.547254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.547254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.547254 (E_RNA) where: Base-Base interactions energy: -367.824 where: short stacking energy: -224.743 Base-Backbone interact. energy: -1.921 local terms energy: -363.802152 where: bonds (distance) C4'-P energy: -99.844 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -105.528 flat angles P-C4'-P energy: -62.840 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -531.988841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.988841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.988841 (E_RNA) where: Base-Base interactions energy: -182.225 where: short stacking energy: -144.678 Base-Backbone interact. energy: 3.059 local terms energy: -352.822567 where: bonds (distance) C4'-P energy: -115.596 bonds (distance) P-C4' energy: -113.044 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -52.539 tors. eta vs tors. theta energy: 11.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2144.600488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.600488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.600488 (E_RNA) where: Base-Base interactions energy: -1488.575 where: short stacking energy: -633.975 Base-Backbone interact. energy: -6.213 local terms energy: -649.812772 where: bonds (distance) C4'-P energy: -122.845 bonds (distance) P-C4' energy: -128.224 flat angles C4'-P-C4' energy: -123.583 flat angles P-C4'-P energy: -88.550 tors. eta vs tors. theta energy: -186.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2109.863218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.863218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.863218 (E_RNA) where: Base-Base interactions energy: -1479.146 where: short stacking energy: -623.446 Base-Backbone interact. energy: -2.334 local terms energy: -628.382948 where: bonds (distance) C4'-P energy: -119.740 bonds (distance) P-C4' energy: -118.421 flat angles C4'-P-C4' energy: -138.706 flat angles P-C4'-P energy: -95.313 tors. eta vs tors. theta energy: -156.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1988.917489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.917489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.917489 (E_RNA) where: Base-Base interactions energy: -1384.312 where: short stacking energy: -556.842 Base-Backbone interact. energy: -1.419 local terms energy: -603.186993 where: bonds (distance) C4'-P energy: -110.827 bonds (distance) P-C4' energy: -116.772 flat angles C4'-P-C4' energy: -132.277 flat angles P-C4'-P energy: -82.345 tors. eta vs tors. theta energy: -160.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1833.415315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.415315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.415315 (E_RNA) where: Base-Base interactions energy: -1257.352 where: short stacking energy: -556.177 Base-Backbone interact. energy: -5.594 local terms energy: -570.468465 where: bonds (distance) C4'-P energy: -98.965 bonds (distance) P-C4' energy: -114.455 flat angles C4'-P-C4' energy: -132.012 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -145.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1701.035888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.035888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.035888 (E_RNA) where: Base-Base interactions energy: -1148.732 where: short stacking energy: -486.443 Base-Backbone interact. energy: -0.270 local terms energy: -552.033494 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -109.158 flat angles C4'-P-C4' energy: -115.496 flat angles P-C4'-P energy: -80.147 tors. eta vs tors. theta energy: -132.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1541.884150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.884150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.884150 (E_RNA) where: Base-Base interactions energy: -1021.829 where: short stacking energy: -431.397 Base-Backbone interact. energy: -1.755 local terms energy: -518.299478 where: bonds (distance) C4'-P energy: -112.819 bonds (distance) P-C4' energy: -99.879 flat angles C4'-P-C4' energy: -122.691 flat angles P-C4'-P energy: -65.362 tors. eta vs tors. theta energy: -117.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1462.327666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.327666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.327666 (E_RNA) where: Base-Base interactions energy: -952.549 where: short stacking energy: -445.271 Base-Backbone interact. energy: -3.316 local terms energy: -506.463132 where: bonds (distance) C4'-P energy: -102.621 bonds (distance) P-C4' energy: -113.191 flat angles C4'-P-C4' energy: -115.907 flat angles P-C4'-P energy: -68.324 tors. eta vs tors. theta energy: -106.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -936.148083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.148083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.148083 (E_RNA) where: Base-Base interactions energy: -539.243 where: short stacking energy: -254.403 Base-Backbone interact. energy: 0.164 local terms energy: -397.068802 where: bonds (distance) C4'-P energy: -105.738 bonds (distance) P-C4' energy: -122.545 flat angles C4'-P-C4' energy: -106.788 flat angles P-C4'-P energy: -35.482 tors. eta vs tors. theta energy: -26.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -747.222739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.222739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.222739 (E_RNA) where: Base-Base interactions energy: -379.266 where: short stacking energy: -197.958 Base-Backbone interact. energy: -3.714 local terms energy: -364.243187 where: bonds (distance) C4'-P energy: -107.677 bonds (distance) P-C4' energy: -116.064 flat angles C4'-P-C4' energy: -87.415 flat angles P-C4'-P energy: -50.643 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -482.312064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.312064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.312064 (E_RNA) where: Base-Base interactions energy: -168.183 where: short stacking energy: -135.341 Base-Backbone interact. energy: 9.096 local terms energy: -323.224248 where: bonds (distance) C4'-P energy: -104.365 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -102.247 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: 43.399 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: 201 Temperature: 0.900000 Total energy: -2147.513776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.513776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.513776 (E_RNA) where: Base-Base interactions energy: -1453.393 where: short stacking energy: -621.896 Base-Backbone interact. energy: -5.265 local terms energy: -688.855779 where: bonds (distance) C4'-P energy: -132.657 bonds (distance) P-C4' energy: -132.331 flat angles C4'-P-C4' energy: -150.652 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -176.989 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: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2101.572657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.572657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.572657 (E_RNA) where: Base-Base interactions energy: -1475.519 where: short stacking energy: -596.002 Base-Backbone interact. energy: -2.190 local terms energy: -623.863405 where: bonds (distance) C4'-P energy: -108.313 bonds (distance) P-C4' energy: -112.686 flat angles C4'-P-C4' energy: -147.460 flat angles P-C4'-P energy: -97.599 tors. eta vs tors. theta energy: -157.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1997.232831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.232831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.232831 (E_RNA) where: Base-Base interactions energy: -1380.559 where: short stacking energy: -590.209 Base-Backbone interact. energy: -2.443 local terms energy: -614.230604 where: bonds (distance) C4'-P energy: -122.355 bonds (distance) P-C4' energy: -117.105 flat angles C4'-P-C4' energy: -124.376 flat angles P-C4'-P energy: -97.461 tors. eta vs tors. theta energy: -152.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1892.876563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.876563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.876563 (E_RNA) where: Base-Base interactions energy: -1292.880 where: short stacking energy: -555.692 Base-Backbone interact. energy: -0.581 local terms energy: -599.415594 where: bonds (distance) C4'-P energy: -112.117 bonds (distance) P-C4' energy: -119.782 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -84.595 tors. eta vs tors. theta energy: -150.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1729.547815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.547815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.547815 (E_RNA) where: Base-Base interactions energy: -1139.734 where: short stacking energy: -491.592 Base-Backbone interact. energy: -0.604 local terms energy: -589.209690 where: bonds (distance) C4'-P energy: -109.429 bonds (distance) P-C4' energy: -123.595 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -145.065 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: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1588.389861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.389861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.389861 (E_RNA) where: Base-Base interactions energy: -1029.344 where: short stacking energy: -456.928 Base-Backbone interact. energy: -3.505 local terms energy: -555.540820 where: bonds (distance) C4'-P energy: -101.459 bonds (distance) P-C4' energy: -131.141 flat angles C4'-P-C4' energy: -118.014 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -120.805 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: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1481.802031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.802031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.802031 (E_RNA) where: Base-Base interactions energy: -957.614 where: short stacking energy: -435.962 Base-Backbone interact. energy: -1.316 local terms energy: -522.872055 where: bonds (distance) C4'-P energy: -110.804 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -117.320 flat angles P-C4'-P energy: -75.880 tors. eta vs tors. theta energy: -107.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -919.220919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.220919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.220919 (E_RNA) where: Base-Base interactions energy: -500.612 where: short stacking energy: -268.190 Base-Backbone interact. energy: 0.261 local terms energy: -418.870097 where: bonds (distance) C4'-P energy: -104.373 bonds (distance) P-C4' energy: -113.695 flat angles C4'-P-C4' energy: -109.492 flat angles P-C4'-P energy: -50.678 tors. eta vs tors. theta energy: -40.631 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: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -743.008237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.008237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.008237 (E_RNA) where: Base-Base interactions energy: -364.840 where: short stacking energy: -215.467 Base-Backbone interact. energy: -0.633 local terms energy: -377.535353 where: bonds (distance) C4'-P energy: -106.697 bonds (distance) P-C4' energy: -110.581 flat angles C4'-P-C4' energy: -89.233 flat angles P-C4'-P energy: -62.804 tors. eta vs tors. theta energy: -8.220 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: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -502.302282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.302282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.302282 (E_RNA) where: Base-Base interactions energy: -164.053 where: short stacking energy: -143.930 Base-Backbone interact. energy: 0.197 local terms energy: -338.446827 where: bonds (distance) C4'-P energy: -97.029 bonds (distance) P-C4' energy: -106.202 flat angles C4'-P-C4' energy: -83.926 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: 5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2179.340743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.340743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.340743 (E_RNA) where: Base-Base interactions energy: -1530.107 where: short stacking energy: -640.124 Base-Backbone interact. energy: 0.014 local terms energy: -649.247887 where: bonds (distance) C4'-P energy: -116.143 bonds (distance) P-C4' energy: -123.624 flat angles C4'-P-C4' energy: -142.005 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -191.111 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: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2075.647702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.647702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.647702 (E_RNA) where: Base-Base interactions energy: -1463.050 where: short stacking energy: -578.022 Base-Backbone interact. energy: -5.190 local terms energy: -607.407592 where: bonds (distance) C4'-P energy: -117.959 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -85.436 tors. eta vs tors. theta energy: -145.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2030.122550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.122550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.122550 (E_RNA) where: Base-Base interactions energy: -1410.963 where: short stacking energy: -585.682 Base-Backbone interact. energy: 3.521 local terms energy: -622.680576 where: bonds (distance) C4'-P energy: -130.134 bonds (distance) P-C4' energy: -108.246 flat angles C4'-P-C4' energy: -130.036 flat angles P-C4'-P energy: -90.511 tors. eta vs tors. theta energy: -163.754 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: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1893.897839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.897839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.897839 (E_RNA) where: Base-Base interactions energy: -1311.724 where: short stacking energy: -561.420 Base-Backbone interact. energy: -1.775 local terms energy: -580.398846 where: bonds (distance) C4'-P energy: -115.603 bonds (distance) P-C4' energy: -100.527 flat angles C4'-P-C4' energy: -122.539 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -148.345 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: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1726.433011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.433011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.433011 (E_RNA) where: Base-Base interactions energy: -1148.681 where: short stacking energy: -516.214 Base-Backbone interact. energy: -4.126 local terms energy: -573.625881 where: bonds (distance) C4'-P energy: -113.466 bonds (distance) P-C4' energy: -112.576 flat angles C4'-P-C4' energy: -137.857 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -143.884 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: 202 Temperature: 1.150000 Total energy: -1617.993678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.993678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.993678 (E_RNA) where: Base-Base interactions energy: -1106.812 where: short stacking energy: -470.945 Base-Backbone interact. energy: -3.304 local terms energy: -507.877858 where: bonds (distance) C4'-P energy: -102.157 bonds (distance) P-C4' energy: -102.868 flat angles C4'-P-C4' energy: -116.201 flat angles P-C4'-P energy: -67.251 tors. eta vs tors. theta energy: -119.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1427.715171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.715171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.715171 (E_RNA) where: Base-Base interactions energy: -924.950 where: short stacking energy: -410.563 Base-Backbone interact. energy: -3.796 local terms energy: -498.969652 where: bonds (distance) C4'-P energy: -105.450 bonds (distance) P-C4' energy: -91.938 flat angles C4'-P-C4' energy: -120.268 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -113.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -898.207949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.207949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.207949 (E_RNA) where: Base-Base interactions energy: -483.583 where: short stacking energy: -278.362 Base-Backbone interact. energy: -2.379 local terms energy: -412.245316 where: bonds (distance) C4'-P energy: -96.006 bonds (distance) P-C4' energy: -111.272 flat angles C4'-P-C4' energy: -117.464 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: -40.286 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: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -712.751171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.751171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.751171 (E_RNA) where: Base-Base interactions energy: -352.024 where: short stacking energy: -221.950 Base-Backbone interact. energy: 3.689 local terms energy: -364.416616 where: bonds (distance) C4'-P energy: -101.784 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -110.240 flat angles P-C4'-P energy: -34.716 tors. eta vs tors. theta energy: -12.967 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: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -549.052455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.052455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.052455 (E_RNA) where: Base-Base interactions energy: -189.821 where: short stacking energy: -141.282 Base-Backbone interact. energy: 0.601 local terms energy: -359.832653 where: bonds (distance) C4'-P energy: -94.408 bonds (distance) P-C4' energy: -117.351 flat angles C4'-P-C4' energy: -91.552 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: 6.692 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: 203 Temperature: 0.900000 Total energy: -2182.449688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.449688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.449688 (E_RNA) where: Base-Base interactions energy: -1475.684 where: short stacking energy: -623.397 Base-Backbone interact. energy: -3.811 local terms energy: -702.954951 where: bonds (distance) C4'-P energy: -123.171 bonds (distance) P-C4' energy: -141.759 flat angles C4'-P-C4' energy: -148.089 flat angles P-C4'-P energy: -98.645 tors. eta vs tors. theta energy: -191.290 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: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2083.472459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.472459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.472459 (E_RNA) where: Base-Base interactions energy: -1469.349 where: short stacking energy: -573.760 Base-Backbone interact. energy: -4.411 local terms energy: -609.713265 where: bonds (distance) C4'-P energy: -116.986 bonds (distance) P-C4' energy: -111.987 flat angles C4'-P-C4' energy: -139.946 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -160.424 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: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2025.070724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.070724 (E_RNA) where: Base-Base interactions energy: -1413.418 where: short stacking energy: -573.941 Base-Backbone interact. energy: -4.457 local terms energy: -607.195071 where: bonds (distance) C4'-P energy: -118.651 bonds (distance) P-C4' energy: -107.971 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -82.872 tors. eta vs tors. theta energy: -160.638 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: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1895.772736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.772736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.772736 (E_RNA) where: Base-Base interactions energy: -1294.008 where: short stacking energy: -574.111 Base-Backbone interact. energy: -1.182 local terms energy: -600.582622 where: bonds (distance) C4'-P energy: -113.215 bonds (distance) P-C4' energy: -121.837 flat angles C4'-P-C4' energy: -134.937 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -152.622 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: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1717.644986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.644986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.644986 (E_RNA) where: Base-Base interactions energy: -1132.502 where: short stacking energy: -495.600 Base-Backbone interact. energy: -0.645 local terms energy: -584.497919 where: bonds (distance) C4'-P energy: -120.874 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -115.361 flat angles P-C4'-P energy: -84.927 tors. eta vs tors. theta energy: -144.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1611.618780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.618780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.618780 (E_RNA) where: Base-Base interactions energy: -1082.770 where: short stacking energy: -484.292 Base-Backbone interact. energy: -3.525 local terms energy: -525.323686 where: bonds (distance) C4'-P energy: -108.167 bonds (distance) P-C4' energy: -101.154 flat angles C4'-P-C4' energy: -119.321 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: -121.290 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: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1383.235590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.235590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.235590 (E_RNA) where: Base-Base interactions energy: -924.509 where: short stacking energy: -396.335 Base-Backbone interact. energy: -2.475 local terms energy: -456.251783 where: bonds (distance) C4'-P energy: -90.418 bonds (distance) P-C4' energy: -116.720 flat angles C4'-P-C4' energy: -106.981 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -77.519 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: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -936.343660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.343660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.343660 (E_RNA) where: Base-Base interactions energy: -523.362 where: short stacking energy: -279.409 Base-Backbone interact. energy: -0.646 local terms energy: -412.335627 where: bonds (distance) C4'-P energy: -97.744 bonds (distance) P-C4' energy: -97.499 flat angles C4'-P-C4' energy: -109.650 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -38.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -704.444604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.444604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.444604 (E_RNA) where: Base-Base interactions energy: -352.901 where: short stacking energy: -204.086 Base-Backbone interact. energy: 0.303 local terms energy: -351.846610 where: bonds (distance) C4'-P energy: -99.321 bonds (distance) P-C4' energy: -105.399 flat angles C4'-P-C4' energy: -97.895 flat angles P-C4'-P energy: -59.809 tors. eta vs tors. theta energy: 10.578 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: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -493.574668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.574668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.574668 (E_RNA) where: Base-Base interactions energy: -160.819 where: short stacking energy: -129.192 Base-Backbone interact. energy: 0.385 local terms energy: -333.140338 where: bonds (distance) C4'-P energy: -110.433 bonds (distance) P-C4' energy: -114.848 flat angles C4'-P-C4' energy: -103.542 flat angles P-C4'-P energy: -29.932 tors. eta vs tors. theta energy: 25.616 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: 204 Temperature: 0.900000 Total energy: -2175.162983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.162983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.162983 (E_RNA) where: Base-Base interactions energy: -1486.721 where: short stacking energy: -632.448 Base-Backbone interact. energy: -3.410 local terms energy: -685.031932 where: bonds (distance) C4'-P energy: -113.556 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -144.646 flat angles P-C4'-P energy: -108.053 tors. eta vs tors. theta energy: -181.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2075.861755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.861755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.861755 (E_RNA) where: Base-Base interactions energy: -1456.382 where: short stacking energy: -593.115 Base-Backbone interact. energy: -5.634 local terms energy: -613.845796 where: bonds (distance) C4'-P energy: -107.190 bonds (distance) P-C4' energy: -130.303 flat angles C4'-P-C4' energy: -132.890 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -157.383 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: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2014.417469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.417469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.417469 (E_RNA) where: Base-Base interactions energy: -1402.381 where: short stacking energy: -579.284 Base-Backbone interact. energy: -0.900 local terms energy: -611.136094 where: bonds (distance) C4'-P energy: -108.252 bonds (distance) P-C4' energy: -116.538 flat angles C4'-P-C4' energy: -134.606 flat angles P-C4'-P energy: -91.477 tors. eta vs tors. theta energy: -160.263 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: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1878.663569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.663569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.663569 (E_RNA) where: Base-Base interactions energy: -1273.616 where: short stacking energy: -551.584 Base-Backbone interact. energy: -2.268 local terms energy: -602.780278 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -92.019 tors. eta vs tors. theta energy: -151.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1709.114862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.114862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.114862 (E_RNA) where: Base-Base interactions energy: -1146.028 where: short stacking energy: -523.605 Base-Backbone interact. energy: -2.606 local terms energy: -560.480606 where: bonds (distance) C4'-P energy: -119.339 bonds (distance) P-C4' energy: -115.478 flat angles C4'-P-C4' energy: -121.378 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -146.956 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: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1635.556323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.556323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.556323 (E_RNA) where: Base-Base interactions energy: -1087.388 where: short stacking energy: -481.381 Base-Backbone interact. energy: -1.760 local terms energy: -546.407348 where: bonds (distance) C4'-P energy: -111.096 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -119.574 flat angles P-C4'-P energy: -77.904 tors. eta vs tors. theta energy: -124.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1406.737452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.737452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.737452 (E_RNA) where: Base-Base interactions energy: -895.569 where: short stacking energy: -402.918 Base-Backbone interact. energy: -0.386 local terms energy: -510.782138 where: bonds (distance) C4'-P energy: -123.682 bonds (distance) P-C4' energy: -117.162 flat angles C4'-P-C4' energy: -107.621 flat angles P-C4'-P energy: -71.802 tors. eta vs tors. theta energy: -90.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -949.764881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.764881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.764881 (E_RNA) where: Base-Base interactions energy: -555.258 where: short stacking energy: -286.817 Base-Backbone interact. energy: 3.753 local terms energy: -398.259990 where: bonds (distance) C4'-P energy: -110.200 bonds (distance) P-C4' energy: -103.677 flat angles C4'-P-C4' energy: -96.822 flat angles P-C4'-P energy: -62.018 tors. eta vs tors. theta energy: -25.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -718.312080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.312080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.312080 (E_RNA) where: Base-Base interactions energy: -356.862 where: short stacking energy: -201.115 Base-Backbone interact. energy: 2.418 local terms energy: -363.868301 where: bonds (distance) C4'-P energy: -108.829 bonds (distance) P-C4' energy: -124.720 flat angles C4'-P-C4' energy: -82.867 flat angles P-C4'-P energy: -55.453 tors. eta vs tors. theta energy: 8.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -469.681694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.681694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.681694 (E_RNA) where: Base-Base interactions energy: -145.437 where: short stacking energy: -130.061 Base-Backbone interact. energy: 0.629 local terms energy: -324.873754 where: bonds (distance) C4'-P energy: -101.391 bonds (distance) P-C4' energy: -115.152 flat angles C4'-P-C4' energy: -88.612 flat angles P-C4'-P energy: -54.275 tors. eta vs tors. theta energy: 34.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2171.970856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.970856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.970856 (E_RNA) where: Base-Base interactions energy: -1505.458 where: short stacking energy: -633.504 Base-Backbone interact. energy: -4.378 local terms energy: -662.134109 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -118.086 flat angles C4'-P-C4' energy: -138.622 flat angles P-C4'-P energy: -93.023 tors. eta vs tors. theta energy: -181.190 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: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2043.978352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.978352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.978352 (E_RNA) where: Base-Base interactions energy: -1411.292 where: short stacking energy: -562.139 Base-Backbone interact. energy: -1.807 local terms energy: -630.879344 where: bonds (distance) C4'-P energy: -110.087 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -143.690 flat angles P-C4'-P energy: -98.467 tors. eta vs tors. theta energy: -145.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2029.040466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.040466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.040466 (E_RNA) where: Base-Base interactions energy: -1422.797 where: short stacking energy: -577.806 Base-Backbone interact. energy: -1.047 local terms energy: -605.195890 where: bonds (distance) C4'-P energy: -95.222 bonds (distance) P-C4' energy: -119.846 flat angles C4'-P-C4' energy: -124.992 flat angles P-C4'-P energy: -99.122 tors. eta vs tors. theta energy: -166.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1876.134508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.134508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.134508 (E_RNA) where: Base-Base interactions energy: -1301.078 where: short stacking energy: -537.767 Base-Backbone interact. energy: -3.204 local terms energy: -571.852398 where: bonds (distance) C4'-P energy: -117.113 bonds (distance) P-C4' energy: -111.537 flat angles C4'-P-C4' energy: -118.817 flat angles P-C4'-P energy: -80.482 tors. eta vs tors. theta energy: -143.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1697.026949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.026949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.026949 (E_RNA) where: Base-Base interactions energy: -1157.485 where: short stacking energy: -518.259 Base-Backbone interact. energy: -1.802 local terms energy: -537.740318 where: bonds (distance) C4'-P energy: -98.728 bonds (distance) P-C4' energy: -105.413 flat angles C4'-P-C4' energy: -110.383 flat angles P-C4'-P energy: -89.625 tors. eta vs tors. theta energy: -133.592 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: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1585.973088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.973088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.973088 (E_RNA) where: Base-Base interactions energy: -1032.910 where: short stacking energy: -465.951 Base-Backbone interact. energy: -1.130 local terms energy: -551.933802 where: bonds (distance) C4'-P energy: -116.224 bonds (distance) P-C4' energy: -112.439 flat angles C4'-P-C4' energy: -123.036 flat angles P-C4'-P energy: -79.767 tors. eta vs tors. theta energy: -120.468 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: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1376.779457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.779457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.779457 (E_RNA) where: Base-Base interactions energy: -903.569 where: short stacking energy: -408.243 Base-Backbone interact. energy: -2.803 local terms energy: -470.407779 where: bonds (distance) C4'-P energy: -85.889 bonds (distance) P-C4' energy: -109.225 flat angles C4'-P-C4' energy: -106.537 flat angles P-C4'-P energy: -66.517 tors. eta vs tors. theta energy: -102.239 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: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -920.909939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.909939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.909939 (E_RNA) where: Base-Base interactions energy: -503.699 where: short stacking energy: -291.767 Base-Backbone interact. energy: -0.503 local terms energy: -416.708581 where: bonds (distance) C4'-P energy: -98.677 bonds (distance) P-C4' energy: -127.918 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -60.790 tors. eta vs tors. theta energy: -34.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -745.451221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.451221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.451221 (E_RNA) where: Base-Base interactions energy: -372.587 where: short stacking energy: -191.744 Base-Backbone interact. energy: 0.806 local terms energy: -373.670171 where: bonds (distance) C4'-P energy: -112.924 bonds (distance) P-C4' energy: -110.120 flat angles C4'-P-C4' energy: -86.200 flat angles P-C4'-P energy: -66.353 tors. eta vs tors. theta energy: 1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -507.504671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.504671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.504671 (E_RNA) where: Base-Base interactions energy: -185.246 where: short stacking energy: -141.737 Base-Backbone interact. energy: -0.251 local terms energy: -322.007238 where: bonds (distance) C4'-P energy: -85.442 bonds (distance) P-C4' energy: -118.837 flat angles C4'-P-C4' energy: -94.216 flat angles P-C4'-P energy: -39.822 tors. eta vs tors. theta energy: 16.311 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: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2184.519979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.519979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.519979 (E_RNA) where: Base-Base interactions energy: -1496.414 where: short stacking energy: -644.971 Base-Backbone interact. energy: -1.706 local terms energy: -686.399447 where: bonds (distance) C4'-P energy: -115.908 bonds (distance) P-C4' energy: -129.196 flat angles C4'-P-C4' energy: -149.319 flat angles P-C4'-P energy: -97.411 tors. eta vs tors. theta energy: -194.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2054.196541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.196541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.196541 (E_RNA) where: Base-Base interactions energy: -1409.829 where: short stacking energy: -572.841 Base-Backbone interact. energy: -3.365 local terms energy: -641.002448 where: bonds (distance) C4'-P energy: -131.534 bonds (distance) P-C4' energy: -121.062 flat angles C4'-P-C4' energy: -139.027 flat angles P-C4'-P energy: -90.770 tors. eta vs tors. theta energy: -158.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2032.332293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.332293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.332293 (E_RNA) where: Base-Base interactions energy: -1422.187 where: short stacking energy: -583.036 Base-Backbone interact. energy: -4.238 local terms energy: -605.907287 where: bonds (distance) C4'-P energy: -111.321 bonds (distance) P-C4' energy: -115.952 flat angles C4'-P-C4' energy: -133.281 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -163.968 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: 206 Temperature: 1.050000 Total energy: -1858.915026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.915026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.915026 (E_RNA) where: Base-Base interactions energy: -1269.836 where: short stacking energy: -533.685 Base-Backbone interact. energy: -4.631 local terms energy: -584.447383 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -106.129 flat angles C4'-P-C4' energy: -130.035 flat angles P-C4'-P energy: -84.746 tors. eta vs tors. theta energy: -138.934 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1726.571490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.571490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.571490 (E_RNA) where: Base-Base interactions energy: -1137.774 where: short stacking energy: -502.364 Base-Backbone interact. energy: -3.236 local terms energy: -585.561864 where: bonds (distance) C4'-P energy: -97.572 bonds (distance) P-C4' energy: -116.534 flat angles C4'-P-C4' energy: -136.560 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -138.213 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: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1642.597821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.597821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.597821 (E_RNA) where: Base-Base interactions energy: -1096.178 where: short stacking energy: -485.886 Base-Backbone interact. energy: -1.011 local terms energy: -545.409765 where: bonds (distance) C4'-P energy: -107.069 bonds (distance) P-C4' energy: -108.087 flat angles C4'-P-C4' energy: -128.370 flat angles P-C4'-P energy: -76.749 tors. eta vs tors. theta energy: -125.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1356.933641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.933641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.933641 (E_RNA) where: Base-Base interactions energy: -890.792 where: short stacking energy: -410.665 Base-Backbone interact. energy: 0.432 local terms energy: -466.573737 where: bonds (distance) C4'-P energy: -81.488 bonds (distance) P-C4' energy: -96.164 flat angles C4'-P-C4' energy: -108.495 flat angles P-C4'-P energy: -85.946 tors. eta vs tors. theta energy: -94.480 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: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -990.215218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.215218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.215218 (E_RNA) where: Base-Base interactions energy: -585.067 where: short stacking energy: -276.334 Base-Backbone interact. energy: -2.538 local terms energy: -402.611127 where: bonds (distance) C4'-P energy: -93.737 bonds (distance) P-C4' energy: -114.790 flat angles C4'-P-C4' energy: -94.482 flat angles P-C4'-P energy: -75.018 tors. eta vs tors. theta energy: -24.584 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: 9, replica: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -676.329141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.329141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.329141 (E_RNA) where: Base-Base interactions energy: -325.277 where: short stacking energy: -174.209 Base-Backbone interact. energy: 3.875 local terms energy: -354.926952 where: bonds (distance) C4'-P energy: -110.522 bonds (distance) P-C4' energy: -108.226 flat angles C4'-P-C4' energy: -75.555 flat angles P-C4'-P energy: -71.598 tors. eta vs tors. theta energy: 10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -476.898771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.898771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.898771 (E_RNA) where: Base-Base interactions energy: -149.280 where: short stacking energy: -134.067 Base-Backbone interact. energy: -3.565 local terms energy: -324.054063 where: bonds (distance) C4'-P energy: -97.820 bonds (distance) P-C4' energy: -109.693 flat angles C4'-P-C4' energy: -76.964 flat angles P-C4'-P energy: -57.393 tors. eta vs tors. theta energy: 17.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2205.530876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.530876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.530876 (E_RNA) where: Base-Base interactions energy: -1510.617 where: short stacking energy: -667.285 Base-Backbone interact. energy: -4.753 local terms energy: -690.160242 where: bonds (distance) C4'-P energy: -128.048 bonds (distance) P-C4' energy: -122.334 flat angles C4'-P-C4' energy: -146.312 flat angles P-C4'-P energy: -99.729 tors. eta vs tors. theta energy: -193.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2101.323111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.323111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.323111 (E_RNA) where: Base-Base interactions energy: -1486.437 where: short stacking energy: -593.213 Base-Backbone interact. energy: -0.992 local terms energy: -613.894266 where: bonds (distance) C4'-P energy: -103.036 bonds (distance) P-C4' energy: -128.838 flat angles C4'-P-C4' energy: -132.528 flat angles P-C4'-P energy: -80.756 tors. eta vs tors. theta energy: -168.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2007.159028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.159028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.159028 (E_RNA) where: Base-Base interactions energy: -1384.581 where: short stacking energy: -569.440 Base-Backbone interact. energy: -3.349 local terms energy: -619.228789 where: bonds (distance) C4'-P energy: -109.817 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -159.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1885.353247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.353247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.353247 (E_RNA) where: Base-Base interactions energy: -1282.765 where: short stacking energy: -542.587 Base-Backbone interact. energy: -1.306 local terms energy: -601.282503 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -107.769 flat angles C4'-P-C4' energy: -141.662 flat angles P-C4'-P energy: -89.504 tors. eta vs tors. theta energy: -144.859 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: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1689.754205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.754205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.754205 (E_RNA) where: Base-Base interactions energy: -1137.726 where: short stacking energy: -482.555 Base-Backbone interact. energy: -0.839 local terms energy: -551.189596 where: bonds (distance) C4'-P energy: -99.226 bonds (distance) P-C4' energy: -112.463 flat angles C4'-P-C4' energy: -128.016 flat angles P-C4'-P energy: -75.088 tors. eta vs tors. theta energy: -136.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1594.724026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.724026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.724026 (E_RNA) where: Base-Base interactions energy: -1054.730 where: short stacking energy: -467.426 Base-Backbone interact. energy: 0.244 local terms energy: -540.238149 where: bonds (distance) C4'-P energy: -105.356 bonds (distance) P-C4' energy: -111.528 flat angles C4'-P-C4' energy: -111.739 flat angles P-C4'-P energy: -82.319 tors. eta vs tors. theta energy: -129.297 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: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1412.295945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.295945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.295945 (E_RNA) where: Base-Base interactions energy: -898.178 where: short stacking energy: -426.014 Base-Backbone interact. energy: -4.502 local terms energy: -509.615936 where: bonds (distance) C4'-P energy: -101.194 bonds (distance) P-C4' energy: -118.013 flat angles C4'-P-C4' energy: -116.614 flat angles P-C4'-P energy: -73.261 tors. eta vs tors. theta energy: -100.534 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: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -970.751458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.751458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.751458 (E_RNA) where: Base-Base interactions energy: -570.063 where: short stacking energy: -286.691 Base-Backbone interact. energy: 3.637 local terms energy: -404.325723 where: bonds (distance) C4'-P energy: -103.630 bonds (distance) P-C4' energy: -89.823 flat angles C4'-P-C4' energy: -126.217 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -32.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -681.755531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.755531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.755531 (E_RNA) where: Base-Base interactions energy: -336.149 where: short stacking energy: -200.561 Base-Backbone interact. energy: -3.731 local terms energy: -341.875424 where: bonds (distance) C4'-P energy: -107.068 bonds (distance) P-C4' energy: -102.131 flat angles C4'-P-C4' energy: -86.794 flat angles P-C4'-P energy: -41.973 tors. eta vs tors. theta energy: -3.909 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: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -483.430399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.430399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.430399 (E_RNA) where: Base-Base interactions energy: -180.332 where: short stacking energy: -141.345 Base-Backbone interact. energy: 7.080 local terms energy: -310.178109 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -113.393 flat angles C4'-P-C4' energy: -81.282 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: 26.751 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: 208 Temperature: 0.900000 Total energy: -2178.883898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.883898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.883898 (E_RNA) where: Base-Base interactions energy: -1505.053 where: short stacking energy: -629.965 Base-Backbone interact. energy: -3.904 local terms energy: -669.926867 where: bonds (distance) C4'-P energy: -116.605 bonds (distance) P-C4' energy: -123.599 flat angles C4'-P-C4' energy: -149.953 flat angles P-C4'-P energy: -94.660 tors. eta vs tors. theta energy: -185.110 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: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2094.585640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.585640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.585640 (E_RNA) where: Base-Base interactions energy: -1463.555 where: short stacking energy: -561.436 Base-Backbone interact. energy: -6.816 local terms energy: -624.214676 where: bonds (distance) C4'-P energy: -114.329 bonds (distance) P-C4' energy: -108.431 flat angles C4'-P-C4' energy: -141.377 flat angles P-C4'-P energy: -94.555 tors. eta vs tors. theta energy: -165.522 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: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1965.725550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.725550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.725550 (E_RNA) where: Base-Base interactions energy: -1352.946 where: short stacking energy: -578.562 Base-Backbone interact. energy: 0.330 local terms energy: -613.108923 where: bonds (distance) C4'-P energy: -125.045 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -137.088 flat angles P-C4'-P energy: -90.644 tors. eta vs tors. theta energy: -145.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1934.776345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.776345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.776345 (E_RNA) where: Base-Base interactions energy: -1325.811 where: short stacking energy: -573.387 Base-Backbone interact. energy: 0.624 local terms energy: -609.589995 where: bonds (distance) C4'-P energy: -124.729 bonds (distance) P-C4' energy: -117.844 flat angles C4'-P-C4' energy: -125.914 flat angles P-C4'-P energy: -86.851 tors. eta vs tors. theta energy: -154.252 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: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1698.844603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.844603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.844603 (E_RNA) where: Base-Base interactions energy: -1157.547 where: short stacking energy: -503.490 Base-Backbone interact. energy: 0.043 local terms energy: -541.341055 where: bonds (distance) C4'-P energy: -112.995 bonds (distance) P-C4' energy: -119.720 flat angles C4'-P-C4' energy: -118.487 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -118.715 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: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1617.858153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.858153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.858153 (E_RNA) where: Base-Base interactions energy: -1062.344 where: short stacking energy: -484.171 Base-Backbone interact. energy: -5.138 local terms energy: -550.376148 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -112.155 flat angles C4'-P-C4' energy: -126.629 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -130.745 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: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1342.962544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.962544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.962544 (E_RNA) where: Base-Base interactions energy: -875.992 where: short stacking energy: -393.091 Base-Backbone interact. energy: 6.455 local terms energy: -473.425928 where: bonds (distance) C4'-P energy: -108.060 bonds (distance) P-C4' energy: -102.210 flat angles C4'-P-C4' energy: -123.475 flat angles P-C4'-P energy: -56.265 tors. eta vs tors. theta energy: -83.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -947.577177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.577177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.577177 (E_RNA) where: Base-Base interactions energy: -536.422 where: short stacking energy: -295.250 Base-Backbone interact. energy: -3.152 local terms energy: -408.003705 where: bonds (distance) C4'-P energy: -106.065 bonds (distance) P-C4' energy: -103.606 flat angles C4'-P-C4' energy: -109.805 flat angles P-C4'-P energy: -52.592 tors. eta vs tors. theta energy: -35.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -672.449125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.449125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.449125 (E_RNA) where: Base-Base interactions energy: -341.386 where: short stacking energy: -212.001 Base-Backbone interact. energy: 4.164 local terms energy: -335.227119 where: bonds (distance) C4'-P energy: -91.301 bonds (distance) P-C4' energy: -120.271 flat angles C4'-P-C4' energy: -79.720 flat angles P-C4'-P energy: -49.462 tors. eta vs tors. theta energy: 5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -470.127734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.127734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.127734 (E_RNA) where: Base-Base interactions energy: -155.923 where: short stacking energy: -121.434 Base-Backbone interact. energy: 0.099 local terms energy: -314.303214 where: bonds (distance) C4'-P energy: -109.043 bonds (distance) P-C4' energy: -100.477 flat angles C4'-P-C4' energy: -73.625 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: 27.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2214.181633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.181633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.181633 (E_RNA) where: Base-Base interactions energy: -1535.344 where: short stacking energy: -629.662 Base-Backbone interact. energy: -0.377 local terms energy: -678.461434 where: bonds (distance) C4'-P energy: -126.316 bonds (distance) P-C4' energy: -133.848 flat angles C4'-P-C4' energy: -137.749 flat angles P-C4'-P energy: -95.290 tors. eta vs tors. theta energy: -185.259 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: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2113.085775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.085775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.085775 (E_RNA) where: Base-Base interactions energy: -1478.727 where: short stacking energy: -592.919 Base-Backbone interact. energy: -1.686 local terms energy: -632.672476 where: bonds (distance) C4'-P energy: -122.141 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -124.376 flat angles P-C4'-P energy: -72.129 tors. eta vs tors. theta energy: -178.262 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: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1941.107054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.107054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.107054 (E_RNA) where: Base-Base interactions energy: -1351.749 where: short stacking energy: -548.835 Base-Backbone interact. energy: 1.351 local terms energy: -590.708763 where: bonds (distance) C4'-P energy: -125.954 bonds (distance) P-C4' energy: -126.029 flat angles C4'-P-C4' energy: -112.290 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -136.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1871.326045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.326045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.326045 (E_RNA) where: Base-Base interactions energy: -1261.676 where: short stacking energy: -550.004 Base-Backbone interact. energy: -0.639 local terms energy: -609.010823 where: bonds (distance) C4'-P energy: -113.084 bonds (distance) P-C4' energy: -126.490 flat angles C4'-P-C4' energy: -123.037 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -150.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1676.111844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.111844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.111844 (E_RNA) where: Base-Base interactions energy: -1085.433 where: short stacking energy: -474.027 Base-Backbone interact. energy: -6.459 local terms energy: -584.219481 where: bonds (distance) C4'-P energy: -120.024 bonds (distance) P-C4' energy: -135.324 flat angles C4'-P-C4' energy: -125.107 flat angles P-C4'-P energy: -62.774 tors. eta vs tors. theta energy: -140.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1544.970525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.970525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.970525 (E_RNA) where: Base-Base interactions energy: -1010.765 where: short stacking energy: -439.083 Base-Backbone interact. energy: -3.204 local terms energy: -531.002012 where: bonds (distance) C4'-P energy: -104.121 bonds (distance) P-C4' energy: -118.369 flat angles C4'-P-C4' energy: -117.148 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -120.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1312.429840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.429840 (E_RNA) where: Base-Base interactions energy: -826.141 where: short stacking energy: -365.654 Base-Backbone interact. energy: 1.973 local terms energy: -488.261675 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -117.794 flat angles P-C4'-P energy: -73.603 tors. eta vs tors. theta energy: -78.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -962.779685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.779685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.779685 (E_RNA) where: Base-Base interactions energy: -522.696 where: short stacking energy: -277.860 Base-Backbone interact. energy: -3.512 local terms energy: -436.571218 where: bonds (distance) C4'-P energy: -117.079 bonds (distance) P-C4' energy: -111.110 flat angles C4'-P-C4' energy: -110.552 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -43.071 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: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -678.099956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.099956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.099956 (E_RNA) where: Base-Base interactions energy: -340.017 where: short stacking energy: -211.432 Base-Backbone interact. energy: -0.332 local terms energy: -337.751018 where: bonds (distance) C4'-P energy: -98.720 bonds (distance) P-C4' energy: -108.739 flat angles C4'-P-C4' energy: -105.203 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: 16.154 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: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -524.016417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.016417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.016417 (E_RNA) where: Base-Base interactions energy: -172.881 where: short stacking energy: -155.471 Base-Backbone interact. energy: 0.323 local terms energy: -351.458359 where: bonds (distance) C4'-P energy: -93.446 bonds (distance) P-C4' energy: -114.550 flat angles C4'-P-C4' energy: -95.024 flat angles P-C4'-P energy: -53.861 tors. eta vs tors. theta energy: 5.421 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: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2217.639168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.639168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.639168 (E_RNA) where: Base-Base interactions energy: -1510.833 where: short stacking energy: -645.420 Base-Backbone interact. energy: -2.148 local terms energy: -704.658287 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -130.956 flat angles C4'-P-C4' energy: -149.693 flat angles P-C4'-P energy: -107.327 tors. eta vs tors. theta energy: -190.110 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: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2103.279829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.279829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.279829 (E_RNA) where: Base-Base interactions energy: -1463.797 where: short stacking energy: -591.857 Base-Backbone interact. energy: -3.821 local terms energy: -635.662234 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -135.863 flat angles P-C4'-P energy: -85.601 tors. eta vs tors. theta energy: -167.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1942.103529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.103529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.103529 (E_RNA) where: Base-Base interactions energy: -1342.932 where: short stacking energy: -543.909 Base-Backbone interact. energy: -1.107 local terms energy: -598.063940 where: bonds (distance) C4'-P energy: -121.021 bonds (distance) P-C4' energy: -123.468 flat angles C4'-P-C4' energy: -126.721 flat angles P-C4'-P energy: -85.019 tors. eta vs tors. theta energy: -141.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1837.843295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.843295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.843295 (E_RNA) where: Base-Base interactions energy: -1226.868 where: short stacking energy: -529.547 Base-Backbone interact. energy: -2.488 local terms energy: -608.487650 where: bonds (distance) C4'-P energy: -105.900 bonds (distance) P-C4' energy: -114.011 flat angles C4'-P-C4' energy: -141.006 flat angles P-C4'-P energy: -96.275 tors. eta vs tors. theta energy: -151.295 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: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1673.956055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.956055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.956055 (E_RNA) where: Base-Base interactions energy: -1087.206 where: short stacking energy: -478.877 Base-Backbone interact. energy: -2.610 local terms energy: -584.139521 where: bonds (distance) C4'-P energy: -119.738 bonds (distance) P-C4' energy: -119.492 flat angles C4'-P-C4' energy: -132.588 flat angles P-C4'-P energy: -84.326 tors. eta vs tors. theta energy: -127.996 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: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1611.349244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.349244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.349244 (E_RNA) where: Base-Base interactions energy: -1089.089 where: short stacking energy: -482.951 Base-Backbone interact. energy: -0.262 local terms energy: -521.997660 where: bonds (distance) C4'-P energy: -105.558 bonds (distance) P-C4' energy: -108.181 flat angles C4'-P-C4' energy: -129.546 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: -107.282 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: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1348.633207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.633207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.633207 (E_RNA) where: Base-Base interactions energy: -875.415 where: short stacking energy: -399.958 Base-Backbone interact. energy: -3.494 local terms energy: -469.724788 where: bonds (distance) C4'-P energy: -95.900 bonds (distance) P-C4' energy: -104.196 flat angles C4'-P-C4' energy: -97.113 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -84.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -953.800919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.800919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.800919 (E_RNA) where: Base-Base interactions energy: -558.208 where: short stacking energy: -270.207 Base-Backbone interact. energy: 0.607 local terms energy: -396.199381 where: bonds (distance) C4'-P energy: -105.234 bonds (distance) P-C4' energy: -111.259 flat angles C4'-P-C4' energy: -111.935 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: -15.911 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: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -737.034440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.034440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.034440 (E_RNA) where: Base-Base interactions energy: -376.669 where: short stacking energy: -216.295 Base-Backbone interact. energy: -0.614 local terms energy: -359.751205 where: bonds (distance) C4'-P energy: -113.104 bonds (distance) P-C4' energy: -93.191 flat angles C4'-P-C4' energy: -102.716 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: 8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -507.078518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.078518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.078518 (E_RNA) where: Base-Base interactions energy: -179.962 where: short stacking energy: -154.555 Base-Backbone interact. energy: -2.703 local terms energy: -324.413565 where: bonds (distance) C4'-P energy: -118.990 bonds (distance) P-C4' energy: -101.797 flat angles C4'-P-C4' energy: -83.244 flat angles P-C4'-P energy: -43.225 tors. eta vs tors. theta energy: 22.842 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: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2190.244127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.244127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.244127 (E_RNA) where: Base-Base interactions energy: -1509.199 where: short stacking energy: -634.759 Base-Backbone interact. energy: -3.958 local terms energy: -677.086870 where: bonds (distance) C4'-P energy: -124.905 bonds (distance) P-C4' energy: -131.000 flat angles C4'-P-C4' energy: -145.861 flat angles P-C4'-P energy: -105.385 tors. eta vs tors. theta energy: -169.936 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: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2071.289864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.289864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.289864 (E_RNA) where: Base-Base interactions energy: -1435.611 where: short stacking energy: -581.936 Base-Backbone interact. energy: -7.582 local terms energy: -628.097480 where: bonds (distance) C4'-P energy: -122.689 bonds (distance) P-C4' energy: -124.228 flat angles C4'-P-C4' energy: -140.243 flat angles P-C4'-P energy: -85.658 tors. eta vs tors. theta energy: -155.279 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: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1959.561295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.561295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.561295 (E_RNA) where: Base-Base interactions energy: -1355.064 where: short stacking energy: -554.367 Base-Backbone interact. energy: -1.776 local terms energy: -602.720970 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -123.746 flat angles C4'-P-C4' energy: -124.363 flat angles P-C4'-P energy: -87.003 tors. eta vs tors. theta energy: -148.291 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: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1870.402375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.402375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.402375 (E_RNA) where: Base-Base interactions energy: -1313.070 where: short stacking energy: -525.648 Base-Backbone interact. energy: -3.481 local terms energy: -553.852182 where: bonds (distance) C4'-P energy: -88.723 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -120.094 flat angles P-C4'-P energy: -96.148 tors. eta vs tors. theta energy: -137.179 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: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1634.613129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.613129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.613129 (E_RNA) where: Base-Base interactions energy: -1085.606 where: short stacking energy: -495.855 Base-Backbone interact. energy: -1.165 local terms energy: -547.842160 where: bonds (distance) C4'-P energy: -113.799 bonds (distance) P-C4' energy: -115.374 flat angles C4'-P-C4' energy: -123.926 flat angles P-C4'-P energy: -72.004 tors. eta vs tors. theta energy: -122.740 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: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1613.284930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.284930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.284930 (E_RNA) where: Base-Base interactions energy: -1065.266 where: short stacking energy: -497.951 Base-Backbone interact. energy: 1.458 local terms energy: -549.477597 where: bonds (distance) C4'-P energy: -104.016 bonds (distance) P-C4' energy: -116.723 flat angles C4'-P-C4' energy: -129.048 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -126.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1356.887146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.887146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.887146 (E_RNA) where: Base-Base interactions energy: -886.395 where: short stacking energy: -403.923 Base-Backbone interact. energy: 3.038 local terms energy: -473.530086 where: bonds (distance) C4'-P energy: -84.575 bonds (distance) P-C4' energy: -110.219 flat angles C4'-P-C4' energy: -122.572 flat angles P-C4'-P energy: -63.070 tors. eta vs tors. theta energy: -93.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -987.107713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.107713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.107713 (E_RNA) where: Base-Base interactions energy: -578.720 where: short stacking energy: -302.485 Base-Backbone interact. energy: 2.029 local terms energy: -410.416650 where: bonds (distance) C4'-P energy: -96.360 bonds (distance) P-C4' energy: -107.555 flat angles C4'-P-C4' energy: -96.740 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: -26.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -762.507848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.507848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.507848 (E_RNA) where: Base-Base interactions energy: -414.813 where: short stacking energy: -219.282 Base-Backbone interact. energy: -4.230 local terms energy: -343.464321 where: bonds (distance) C4'-P energy: -106.663 bonds (distance) P-C4' energy: -95.679 flat angles C4'-P-C4' energy: -86.586 flat angles P-C4'-P energy: -40.538 tors. eta vs tors. theta energy: -13.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -485.543568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.543568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.543568 (E_RNA) where: Base-Base interactions energy: -153.967 where: short stacking energy: -129.983 Base-Backbone interact. energy: -0.215 local terms energy: -331.361767 where: bonds (distance) C4'-P energy: -107.988 bonds (distance) P-C4' energy: -122.112 flat angles C4'-P-C4' energy: -81.056 flat angles P-C4'-P energy: -54.342 tors. eta vs tors. theta energy: 34.137 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: 212 Temperature: 0.900000 Total energy: -2202.598337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.598337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.598337 (E_RNA) where: Base-Base interactions energy: -1517.141 where: short stacking energy: -662.826 Base-Backbone interact. energy: -5.012 local terms energy: -680.445330 where: bonds (distance) C4'-P energy: -123.688 bonds (distance) P-C4' energy: -127.762 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -104.140 tors. eta vs tors. theta energy: -181.663 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: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2102.184280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.184280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.184280 (E_RNA) where: Base-Base interactions energy: -1451.011 where: short stacking energy: -601.629 Base-Backbone interact. energy: -1.003 local terms energy: -650.169747 where: bonds (distance) C4'-P energy: -128.981 bonds (distance) P-C4' energy: -137.173 flat angles C4'-P-C4' energy: -135.551 flat angles P-C4'-P energy: -78.924 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: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1998.346872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.346872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.346872 (E_RNA) where: Base-Base interactions energy: -1387.776 where: short stacking energy: -576.287 Base-Backbone interact. energy: -3.213 local terms energy: -607.357180 where: bonds (distance) C4'-P energy: -113.516 bonds (distance) P-C4' energy: -116.405 flat angles C4'-P-C4' energy: -131.432 flat angles P-C4'-P energy: -90.855 tors. eta vs tors. theta energy: -155.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1871.974378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.974378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.974378 (E_RNA) where: Base-Base interactions energy: -1293.956 where: short stacking energy: -544.717 Base-Backbone interact. energy: 4.265 local terms energy: -582.283556 where: bonds (distance) C4'-P energy: -108.274 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -140.852 flat angles P-C4'-P energy: -68.118 tors. eta vs tors. theta energy: -150.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1622.138055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.138055 (E_RNA) where: Base-Base interactions energy: -1061.471 where: short stacking energy: -487.968 Base-Backbone interact. energy: -1.898 local terms energy: -558.769672 where: bonds (distance) C4'-P energy: -109.036 bonds (distance) P-C4' energy: -115.331 flat angles C4'-P-C4' energy: -125.619 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: -135.973 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: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1635.382378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.382378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.382378 (E_RNA) where: Base-Base interactions energy: -1076.548 where: short stacking energy: -484.252 Base-Backbone interact. energy: -4.109 local terms energy: -554.725277 where: bonds (distance) C4'-P energy: -114.434 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -124.251 flat angles P-C4'-P energy: -77.926 tors. eta vs tors. theta energy: -119.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1376.186543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.186543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.186543 (E_RNA) where: Base-Base interactions energy: -909.787 where: short stacking energy: -395.469 Base-Backbone interact. energy: -2.706 local terms energy: -463.693080 where: bonds (distance) C4'-P energy: -101.696 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -130.065 flat angles P-C4'-P energy: -58.976 tors. eta vs tors. theta energy: -91.908 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: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -940.270902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.270902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.270902 (E_RNA) where: Base-Base interactions energy: -521.797 where: short stacking energy: -284.099 Base-Backbone interact. energy: -1.062 local terms energy: -417.411971 where: bonds (distance) C4'-P energy: -106.722 bonds (distance) P-C4' energy: -119.200 flat angles C4'-P-C4' energy: -108.747 flat angles P-C4'-P energy: -61.523 tors. eta vs tors. theta energy: -21.219 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: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -781.578692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.578692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.578692 (E_RNA) where: Base-Base interactions energy: -433.919 where: short stacking energy: -233.669 Base-Backbone interact. energy: -1.490 local terms energy: -346.169007 where: bonds (distance) C4'-P energy: -80.852 bonds (distance) P-C4' energy: -103.303 flat angles C4'-P-C4' energy: -83.685 flat angles P-C4'-P energy: -61.488 tors. eta vs tors. theta energy: -16.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -479.956175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.956175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.956175 (E_RNA) where: Base-Base interactions energy: -182.612 where: short stacking energy: -144.484 Base-Backbone interact. energy: 1.735 local terms energy: -299.078868 where: bonds (distance) C4'-P energy: -88.556 bonds (distance) P-C4' energy: -115.667 flat angles C4'-P-C4' energy: -79.067 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: 30.480 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: 213 Temperature: 0.900000 Total energy: -2194.312604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.312604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.312604 (E_RNA) where: Base-Base interactions energy: -1509.691 where: short stacking energy: -632.838 Base-Backbone interact. energy: -2.860 local terms energy: -681.761957 where: bonds (distance) C4'-P energy: -136.584 bonds (distance) P-C4' energy: -133.299 flat angles C4'-P-C4' energy: -139.504 flat angles P-C4'-P energy: -89.598 tors. eta vs tors. theta energy: -182.778 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: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2104.515619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.515619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.515619 (E_RNA) where: Base-Base interactions energy: -1453.507 where: short stacking energy: -616.129 Base-Backbone interact. energy: -1.422 local terms energy: -649.587130 where: bonds (distance) C4'-P energy: -122.876 bonds (distance) P-C4' energy: -131.764 flat angles C4'-P-C4' energy: -135.187 flat angles P-C4'-P energy: -81.806 tors. eta vs tors. theta energy: -177.955 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: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1998.977792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.977792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.977792 (E_RNA) where: Base-Base interactions energy: -1406.236 where: short stacking energy: -573.306 Base-Backbone interact. energy: -1.808 local terms energy: -590.933815 where: bonds (distance) C4'-P energy: -99.167 bonds (distance) P-C4' energy: -126.344 flat angles C4'-P-C4' energy: -129.078 flat angles P-C4'-P energy: -88.207 tors. eta vs tors. theta energy: -148.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1846.008992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.008992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.008992 (E_RNA) where: Base-Base interactions energy: -1270.620 where: short stacking energy: -518.676 Base-Backbone interact. energy: -2.815 local terms energy: -572.574049 where: bonds (distance) C4'-P energy: -114.696 bonds (distance) P-C4' energy: -110.763 flat angles C4'-P-C4' energy: -136.724 flat angles P-C4'-P energy: -76.854 tors. eta vs tors. theta energy: -133.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1639.871535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.871535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.871535 (E_RNA) where: Base-Base interactions energy: -1097.255 where: short stacking energy: -504.615 Base-Backbone interact. energy: 1.830 local terms energy: -544.446230 where: bonds (distance) C4'-P energy: -104.442 bonds (distance) P-C4' energy: -104.126 flat angles C4'-P-C4' energy: -110.831 flat angles P-C4'-P energy: -81.399 tors. eta vs tors. theta energy: -143.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1616.405343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.405343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.405343 (E_RNA) where: Base-Base interactions energy: -1082.487 where: short stacking energy: -470.175 Base-Backbone interact. energy: -0.997 local terms energy: -532.921766 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -103.611 flat angles C4'-P-C4' energy: -118.937 flat angles P-C4'-P energy: -77.105 tors. eta vs tors. theta energy: -122.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1343.926660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.926660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.926660 (E_RNA) where: Base-Base interactions energy: -847.634 where: short stacking energy: -391.885 Base-Backbone interact. energy: -0.991 local terms energy: -495.301332 where: bonds (distance) C4'-P energy: -98.509 bonds (distance) P-C4' energy: -113.080 flat angles C4'-P-C4' energy: -105.893 flat angles P-C4'-P energy: -88.190 tors. eta vs tors. theta energy: -89.630 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -913.149302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.149302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.149302 (E_RNA) where: Base-Base interactions energy: -517.724 where: short stacking energy: -264.756 Base-Backbone interact. energy: -0.754 local terms energy: -394.671202 where: bonds (distance) C4'-P energy: -114.033 bonds (distance) P-C4' energy: -113.565 flat angles C4'-P-C4' energy: -80.611 flat angles P-C4'-P energy: -69.730 tors. eta vs tors. theta energy: -16.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -794.187009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.187009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.187009 (E_RNA) where: Base-Base interactions energy: -429.638 where: short stacking energy: -209.166 Base-Backbone interact. energy: 2.006 local terms energy: -366.555476 where: bonds (distance) C4'-P energy: -110.717 bonds (distance) P-C4' energy: -100.221 flat angles C4'-P-C4' energy: -97.641 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -473.854006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.854006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.854006 (E_RNA) where: Base-Base interactions energy: -137.593 where: short stacking energy: -118.192 Base-Backbone interact. energy: 2.771 local terms energy: -339.031694 where: bonds (distance) C4'-P energy: -96.602 bonds (distance) P-C4' energy: -116.062 flat angles C4'-P-C4' energy: -79.711 flat angles P-C4'-P energy: -51.075 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: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2168.307135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.307135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.307135 (E_RNA) where: Base-Base interactions energy: -1520.096 where: short stacking energy: -629.252 Base-Backbone interact. energy: -0.456 local terms energy: -647.754953 where: bonds (distance) C4'-P energy: -114.543 bonds (distance) P-C4' energy: -119.979 flat angles C4'-P-C4' energy: -137.266 flat angles P-C4'-P energy: -96.755 tors. eta vs tors. theta energy: -179.212 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: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2102.340560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.340560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.340560 (E_RNA) where: Base-Base interactions energy: -1468.574 where: short stacking energy: -613.266 Base-Backbone interact. energy: -6.137 local terms energy: -627.628944 where: bonds (distance) C4'-P energy: -114.238 bonds (distance) P-C4' energy: -116.928 flat angles C4'-P-C4' energy: -136.508 flat angles P-C4'-P energy: -88.378 tors. eta vs tors. theta energy: -171.578 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: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2015.497195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.497195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.497195 (E_RNA) where: Base-Base interactions energy: -1399.408 where: short stacking energy: -594.630 Base-Backbone interact. energy: -2.628 local terms energy: -613.462076 where: bonds (distance) C4'-P energy: -119.982 bonds (distance) P-C4' energy: -126.447 flat angles C4'-P-C4' energy: -136.362 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -148.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1919.701554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.701554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.701554 (E_RNA) where: Base-Base interactions energy: -1302.168 where: short stacking energy: -535.713 Base-Backbone interact. energy: -2.989 local terms energy: -614.544310 where: bonds (distance) C4'-P energy: -127.178 bonds (distance) P-C4' energy: -123.586 flat angles C4'-P-C4' energy: -129.830 flat angles P-C4'-P energy: -92.411 tors. eta vs tors. theta energy: -141.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1672.181759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.181759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.181759 (E_RNA) where: Base-Base interactions energy: -1092.812 where: short stacking energy: -489.802 Base-Backbone interact. energy: -4.891 local terms energy: -574.479135 where: bonds (distance) C4'-P energy: -107.820 bonds (distance) P-C4' energy: -119.874 flat angles C4'-P-C4' energy: -130.182 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -135.051 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: 214 Temperature: 1.150000 Total energy: -1705.178479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.178479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.178479 (E_RNA) where: Base-Base interactions energy: -1138.513 where: short stacking energy: -510.752 Base-Backbone interact. energy: -1.657 local terms energy: -565.008077 where: bonds (distance) C4'-P energy: -108.788 bonds (distance) P-C4' energy: -106.961 flat angles C4'-P-C4' energy: -128.687 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -143.586 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: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1323.878779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.878779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.878779 (E_RNA) where: Base-Base interactions energy: -854.281 where: short stacking energy: -378.699 Base-Backbone interact. energy: -3.628 local terms energy: -465.970150 where: bonds (distance) C4'-P energy: -107.673 bonds (distance) P-C4' energy: -109.194 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -43.695 tors. eta vs tors. theta energy: -85.561 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: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -892.614098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.614098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.614098 (E_RNA) where: Base-Base interactions energy: -476.489 where: short stacking energy: -261.131 Base-Backbone interact. energy: -2.252 local terms energy: -413.872820 where: bonds (distance) C4'-P energy: -107.132 bonds (distance) P-C4' energy: -114.543 flat angles C4'-P-C4' energy: -98.838 flat angles P-C4'-P energy: -79.556 tors. eta vs tors. theta energy: -13.803 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: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -804.691098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.691098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.691098 (E_RNA) where: Base-Base interactions energy: -427.565 where: short stacking energy: -209.647 Base-Backbone interact. energy: 0.905 local terms energy: -378.031780 where: bonds (distance) C4'-P energy: -107.365 bonds (distance) P-C4' energy: -111.860 flat angles C4'-P-C4' energy: -100.351 flat angles P-C4'-P energy: -56.464 tors. eta vs tors. theta energy: -1.992 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: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -471.175978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.175978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.175978 (E_RNA) where: Base-Base interactions energy: -175.649 where: short stacking energy: -126.833 Base-Backbone interact. energy: -0.959 local terms energy: -294.568087 where: bonds (distance) C4'-P energy: -88.470 bonds (distance) P-C4' energy: -103.265 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -38.017 tors. eta vs tors. theta energy: 37.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2190.286094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.286094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.286094 (E_RNA) where: Base-Base interactions energy: -1504.405 where: short stacking energy: -636.065 Base-Backbone interact. energy: -2.512 local terms energy: -683.369902 where: bonds (distance) C4'-P energy: -133.252 bonds (distance) P-C4' energy: -136.188 flat angles C4'-P-C4' energy: -138.311 flat angles P-C4'-P energy: -91.170 tors. eta vs tors. theta energy: -184.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2111.927325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.927325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.927325 (E_RNA) where: Base-Base interactions energy: -1484.860 where: short stacking energy: -627.924 Base-Backbone interact. energy: -4.429 local terms energy: -622.638570 where: bonds (distance) C4'-P energy: -108.914 bonds (distance) P-C4' energy: -112.700 flat angles C4'-P-C4' energy: -141.105 flat angles P-C4'-P energy: -86.309 tors. eta vs tors. theta energy: -173.611 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: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1994.702236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.702236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.702236 (E_RNA) where: Base-Base interactions energy: -1364.841 where: short stacking energy: -565.638 Base-Backbone interact. energy: 1.063 local terms energy: -630.924864 where: bonds (distance) C4'-P energy: -115.580 bonds (distance) P-C4' energy: -128.339 flat angles C4'-P-C4' energy: -129.901 flat angles P-C4'-P energy: -92.696 tors. eta vs tors. theta energy: -164.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1874.322324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.322324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.322324 (E_RNA) where: Base-Base interactions energy: -1291.214 where: short stacking energy: -537.156 Base-Backbone interact. energy: 0.583 local terms energy: -583.692152 where: bonds (distance) C4'-P energy: -111.016 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -129.501 flat angles P-C4'-P energy: -68.762 tors. eta vs tors. theta energy: -147.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1666.649976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.649976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.649976 (E_RNA) where: Base-Base interactions energy: -1112.913 where: short stacking energy: -494.988 Base-Backbone interact. energy: 1.178 local terms energy: -554.915356 where: bonds (distance) C4'-P energy: -113.517 bonds (distance) P-C4' energy: -99.742 flat angles C4'-P-C4' energy: -132.987 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: -124.876 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: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1723.807282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.807282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.807282 (E_RNA) where: Base-Base interactions energy: -1168.386 where: short stacking energy: -493.180 Base-Backbone interact. energy: -2.589 local terms energy: -552.831994 where: bonds (distance) C4'-P energy: -120.428 bonds (distance) P-C4' energy: -95.989 flat angles C4'-P-C4' energy: -114.537 flat angles P-C4'-P energy: -77.794 tors. eta vs tors. theta energy: -144.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1350.053249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.053249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.053249 (E_RNA) where: Base-Base interactions energy: -880.841 where: short stacking energy: -399.201 Base-Backbone interact. energy: 0.545 local terms energy: -469.757148 where: bonds (distance) C4'-P energy: -101.929 bonds (distance) P-C4' energy: -94.393 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: -84.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -840.738866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.738866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.738866 (E_RNA) where: Base-Base interactions energy: -442.575 where: short stacking energy: -251.739 Base-Backbone interact. energy: -2.917 local terms energy: -395.246527 where: bonds (distance) C4'-P energy: -106.592 bonds (distance) P-C4' energy: -106.688 flat angles C4'-P-C4' energy: -90.438 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -22.520 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: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -710.255220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.255220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.255220 (E_RNA) where: Base-Base interactions energy: -381.835 where: short stacking energy: -237.260 Base-Backbone interact. energy: 8.851 local terms energy: -337.270630 where: bonds (distance) C4'-P energy: -82.975 bonds (distance) P-C4' energy: -108.419 flat angles C4'-P-C4' energy: -87.221 flat angles P-C4'-P energy: -57.073 tors. eta vs tors. theta energy: -1.583 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: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -472.585244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.585244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.585244 (E_RNA) where: Base-Base interactions energy: -163.757 where: short stacking energy: -134.081 Base-Backbone interact. energy: -0.758 local terms energy: -308.070318 where: bonds (distance) C4'-P energy: -89.138 bonds (distance) P-C4' energy: -124.387 flat angles C4'-P-C4' energy: -83.076 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: 31.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2203.349864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.349864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.349864 (E_RNA) where: Base-Base interactions energy: -1533.495 where: short stacking energy: -676.919 Base-Backbone interact. energy: -4.297 local terms energy: -665.557368 where: bonds (distance) C4'-P energy: -122.947 bonds (distance) P-C4' energy: -128.192 flat angles C4'-P-C4' energy: -138.894 flat angles P-C4'-P energy: -83.630 tors. eta vs tors. theta energy: -191.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2109.873733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.873733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.873733 (E_RNA) where: Base-Base interactions energy: -1492.017 where: short stacking energy: -611.499 Base-Backbone interact. energy: -2.987 local terms energy: -614.869713 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -121.656 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -161.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1980.319555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.319555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.319555 (E_RNA) where: Base-Base interactions energy: -1371.215 where: short stacking energy: -577.257 Base-Backbone interact. energy: -5.301 local terms energy: -603.803286 where: bonds (distance) C4'-P energy: -104.902 bonds (distance) P-C4' energy: -123.283 flat angles C4'-P-C4' energy: -138.456 flat angles P-C4'-P energy: -88.084 tors. eta vs tors. theta energy: -149.079 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: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1878.842301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.842301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.842301 (E_RNA) where: Base-Base interactions energy: -1287.708 where: short stacking energy: -554.062 Base-Backbone interact. energy: -5.835 local terms energy: -585.299104 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -113.909 flat angles C4'-P-C4' energy: -135.207 flat angles P-C4'-P energy: -74.890 tors. eta vs tors. theta energy: -152.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1624.632244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.632244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.632244 (E_RNA) where: Base-Base interactions energy: -1070.313 where: short stacking energy: -472.896 Base-Backbone interact. energy: -2.819 local terms energy: -551.499557 where: bonds (distance) C4'-P energy: -124.866 bonds (distance) P-C4' energy: -111.835 flat angles C4'-P-C4' energy: -119.248 flat angles P-C4'-P energy: -66.779 tors. eta vs tors. theta energy: -128.772 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: 216 Temperature: 1.150000 Total energy: -1629.672003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.672003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.672003 (E_RNA) where: Base-Base interactions energy: -1082.114 where: short stacking energy: -499.682 Base-Backbone interact. energy: -1.480 local terms energy: -546.077681 where: bonds (distance) C4'-P energy: -116.891 bonds (distance) P-C4' energy: -102.366 flat angles C4'-P-C4' energy: -133.071 flat angles P-C4'-P energy: -68.602 tors. eta vs tors. theta energy: -125.148 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: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1368.793664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.793664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.793664 (E_RNA) where: Base-Base interactions energy: -885.793 where: short stacking energy: -398.082 Base-Backbone interact. energy: -3.286 local terms energy: -479.714069 where: bonds (distance) C4'-P energy: -112.189 bonds (distance) P-C4' energy: -116.087 flat angles C4'-P-C4' energy: -100.555 flat angles P-C4'-P energy: -72.070 tors. eta vs tors. theta energy: -78.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -917.610717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.610717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.610717 (E_RNA) where: Base-Base interactions energy: -516.578 where: short stacking energy: -284.134 Base-Backbone interact. energy: -0.928 local terms energy: -400.105212 where: bonds (distance) C4'-P energy: -103.800 bonds (distance) P-C4' energy: -112.302 flat angles C4'-P-C4' energy: -111.297 flat angles P-C4'-P energy: -55.094 tors. eta vs tors. theta energy: -17.612 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: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -719.746376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.746376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.746376 (E_RNA) where: Base-Base interactions energy: -361.790 where: short stacking energy: -200.494 Base-Backbone interact. energy: 1.504 local terms energy: -359.460652 where: bonds (distance) C4'-P energy: -89.011 bonds (distance) P-C4' energy: -106.364 flat angles C4'-P-C4' energy: -99.761 flat angles P-C4'-P energy: -63.019 tors. eta vs tors. theta energy: -1.305 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: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -498.835746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.835746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.835746 (E_RNA) where: Base-Base interactions energy: -162.534 where: short stacking energy: -147.099 Base-Backbone interact. energy: 6.618 local terms energy: -342.919843 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -119.721 flat angles C4'-P-C4' energy: -89.186 flat angles P-C4'-P energy: -70.601 tors. eta vs tors. theta energy: 32.522 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: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2172.931441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.931441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.931441 (E_RNA) where: Base-Base interactions energy: -1497.523 where: short stacking energy: -656.701 Base-Backbone interact. energy: -5.609 local terms energy: -669.799981 where: bonds (distance) C4'-P energy: -126.031 bonds (distance) P-C4' energy: -119.271 flat angles C4'-P-C4' energy: -140.713 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -188.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2065.915519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.915519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.915519 (E_RNA) where: Base-Base interactions energy: -1407.806 where: short stacking energy: -613.325 Base-Backbone interact. energy: -1.987 local terms energy: -656.122346 where: bonds (distance) C4'-P energy: -119.912 bonds (distance) P-C4' energy: -122.606 flat angles C4'-P-C4' energy: -141.824 flat angles P-C4'-P energy: -101.010 tors. eta vs tors. theta energy: -170.771 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: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2001.470864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.470864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.470864 (E_RNA) where: Base-Base interactions energy: -1380.435 where: short stacking energy: -547.872 Base-Backbone interact. energy: -3.335 local terms energy: -617.700762 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -126.531 flat angles C4'-P-C4' energy: -134.320 flat angles P-C4'-P energy: -86.320 tors. eta vs tors. theta energy: -146.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1877.435885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.435885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.435885 (E_RNA) where: Base-Base interactions energy: -1290.718 where: short stacking energy: -541.114 Base-Backbone interact. energy: -3.773 local terms energy: -582.944616 where: bonds (distance) C4'-P energy: -109.204 bonds (distance) P-C4' energy: -108.559 flat angles C4'-P-C4' energy: -141.652 flat angles P-C4'-P energy: -70.501 tors. eta vs tors. theta energy: -153.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1637.927949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.927949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.927949 (E_RNA) where: Base-Base interactions energy: -1099.753 where: short stacking energy: -470.660 Base-Backbone interact. energy: -0.596 local terms energy: -537.578323 where: bonds (distance) C4'-P energy: -109.272 bonds (distance) P-C4' energy: -100.285 flat angles C4'-P-C4' energy: -124.849 flat angles P-C4'-P energy: -77.721 tors. eta vs tors. theta energy: -125.451 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: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1710.226369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.226369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.226369 (E_RNA) where: Base-Base interactions energy: -1153.160 where: short stacking energy: -508.729 Base-Backbone interact. energy: 0.737 local terms energy: -557.803512 where: bonds (distance) C4'-P energy: -106.789 bonds (distance) P-C4' energy: -114.143 flat angles C4'-P-C4' energy: -124.650 flat angles P-C4'-P energy: -78.871 tors. eta vs tors. theta energy: -133.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1252.516321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.516321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.516321 (E_RNA) where: Base-Base interactions energy: -786.297 where: short stacking energy: -359.806 Base-Backbone interact. energy: -2.601 local terms energy: -463.618310 where: bonds (distance) C4'-P energy: -115.012 bonds (distance) P-C4' energy: -118.051 flat angles C4'-P-C4' energy: -101.728 flat angles P-C4'-P energy: -64.549 tors. eta vs tors. theta energy: -64.279 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: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -787.739683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.739683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.739683 (E_RNA) where: Base-Base interactions energy: -410.200 where: short stacking energy: -227.366 Base-Backbone interact. energy: -1.806 local terms energy: -375.732711 where: bonds (distance) C4'-P energy: -109.883 bonds (distance) P-C4' energy: -113.779 flat angles C4'-P-C4' energy: -85.257 flat angles P-C4'-P energy: -53.850 tors. eta vs tors. theta energy: -12.965 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: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -845.373467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.373467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.373467 (E_RNA) where: Base-Base interactions energy: -485.835 where: short stacking energy: -223.321 Base-Backbone interact. energy: -5.302 local terms energy: -354.236955 where: bonds (distance) C4'-P energy: -97.762 bonds (distance) P-C4' energy: -115.880 flat angles C4'-P-C4' energy: -81.049 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: 5.590 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: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -534.908886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.908886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.908886 (E_RNA) where: Base-Base interactions energy: -196.299 where: short stacking energy: -164.796 Base-Backbone interact. energy: -0.156 local terms energy: -338.453776 where: bonds (distance) C4'-P energy: -105.103 bonds (distance) P-C4' energy: -100.520 flat angles C4'-P-C4' energy: -93.273 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: 9.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2226.347734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.347734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.347734 (E_RNA) where: Base-Base interactions energy: -1545.813 where: short stacking energy: -658.927 Base-Backbone interact. energy: -2.708 local terms energy: -677.826702 where: bonds (distance) C4'-P energy: -122.025 bonds (distance) P-C4' energy: -138.095 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -94.090 tors. eta vs tors. theta energy: -181.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2059.841831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.841831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.841831 (E_RNA) where: Base-Base interactions energy: -1428.075 where: short stacking energy: -577.124 Base-Backbone interact. energy: -3.695 local terms energy: -628.072165 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -123.179 flat angles C4'-P-C4' energy: -139.769 flat angles P-C4'-P energy: -84.174 tors. eta vs tors. theta energy: -163.621 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: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1904.762899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.762899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.762899 (E_RNA) where: Base-Base interactions energy: -1305.892 where: short stacking energy: -527.747 Base-Backbone interact. energy: 0.295 local terms energy: -599.166523 where: bonds (distance) C4'-P energy: -122.232 bonds (distance) P-C4' energy: -115.274 flat angles C4'-P-C4' energy: -124.463 flat angles P-C4'-P energy: -98.245 tors. eta vs tors. theta energy: -138.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1908.983828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.983828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.983828 (E_RNA) where: Base-Base interactions energy: -1303.346 where: short stacking energy: -543.438 Base-Backbone interact. energy: -4.045 local terms energy: -601.592754 where: bonds (distance) C4'-P energy: -115.910 bonds (distance) P-C4' energy: -129.406 flat angles C4'-P-C4' energy: -121.982 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -147.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1740.672236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.672236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.672236 (E_RNA) where: Base-Base interactions energy: -1173.434 where: short stacking energy: -505.382 Base-Backbone interact. energy: 0.406 local terms energy: -567.643723 where: bonds (distance) C4'-P energy: -104.589 bonds (distance) P-C4' energy: -122.310 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -67.028 tors. eta vs tors. theta energy: -139.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1591.659396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.659396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.659396 (E_RNA) where: Base-Base interactions energy: -1057.909 where: short stacking energy: -472.771 Base-Backbone interact. energy: -1.046 local terms energy: -532.704476 where: bonds (distance) C4'-P energy: -105.088 bonds (distance) P-C4' energy: -117.903 flat angles C4'-P-C4' energy: -116.136 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -118.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1259.940363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.940363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.940363 (E_RNA) where: Base-Base interactions energy: -787.641 where: short stacking energy: -380.134 Base-Backbone interact. energy: -2.128 local terms energy: -470.171524 where: bonds (distance) C4'-P energy: -102.501 bonds (distance) P-C4' energy: -116.380 flat angles C4'-P-C4' energy: -109.286 flat angles P-C4'-P energy: -62.569 tors. eta vs tors. theta energy: -79.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -818.428294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.428294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.428294 (E_RNA) where: Base-Base interactions energy: -413.258 where: short stacking energy: -237.553 Base-Backbone interact. energy: 2.066 local terms energy: -407.236693 where: bonds (distance) C4'-P energy: -120.237 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -90.906 flat angles P-C4'-P energy: -69.627 tors. eta vs tors. theta energy: -17.538 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: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -801.138415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.138415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.138415 (E_RNA) where: Base-Base interactions energy: -471.794 where: short stacking energy: -235.158 Base-Backbone interact. energy: 4.520 local terms energy: -333.864245 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -99.684 flat angles C4'-P-C4' energy: -90.029 flat angles P-C4'-P energy: -44.794 tors. eta vs tors. theta energy: 1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -510.353798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.353798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.353798 (E_RNA) where: Base-Base interactions energy: -217.090 where: short stacking energy: -156.364 Base-Backbone interact. energy: 5.461 local terms energy: -298.724698 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -93.241 flat angles C4'-P-C4' energy: -81.503 flat angles P-C4'-P energy: -47.291 tors. eta vs tors. theta energy: 15.167 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: 219 Temperature: 0.900000 Total energy: -2169.333466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.333466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.333466 (E_RNA) where: Base-Base interactions energy: -1480.829 where: short stacking energy: -612.437 Base-Backbone interact. energy: -3.452 local terms energy: -685.052100 where: bonds (distance) C4'-P energy: -130.441 bonds (distance) P-C4' energy: -132.821 flat angles C4'-P-C4' energy: -150.966 flat angles P-C4'-P energy: -92.663 tors. eta vs tors. theta energy: -178.161 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: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2091.899016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.899016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.899016 (E_RNA) where: Base-Base interactions energy: -1422.016 where: short stacking energy: -594.864 Base-Backbone interact. energy: -1.972 local terms energy: -667.911679 where: bonds (distance) C4'-P energy: -120.074 bonds (distance) P-C4' energy: -143.587 flat angles C4'-P-C4' energy: -133.823 flat angles P-C4'-P energy: -97.317 tors. eta vs tors. theta energy: -173.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1925.644987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.644987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.644987 (E_RNA) where: Base-Base interactions energy: -1357.866 where: short stacking energy: -567.234 Base-Backbone interact. energy: 0.689 local terms energy: -568.467857 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -112.266 flat angles C4'-P-C4' energy: -126.206 flat angles P-C4'-P energy: -82.373 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: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1839.908895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.908895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.908895 (E_RNA) where: Base-Base interactions energy: -1272.603 where: short stacking energy: -546.205 Base-Backbone interact. energy: -3.628 local terms energy: -563.678233 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -108.456 flat angles C4'-P-C4' energy: -129.817 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: -133.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1733.714073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.714073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.714073 (E_RNA) where: Base-Base interactions energy: -1182.732 where: short stacking energy: -497.442 Base-Backbone interact. energy: 0.190 local terms energy: -551.172544 where: bonds (distance) C4'-P energy: -90.957 bonds (distance) P-C4' energy: -124.471 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -78.653 tors. eta vs tors. theta energy: -135.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1560.577223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.577223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.577223 (E_RNA) where: Base-Base interactions energy: -1002.210 where: short stacking energy: -451.935 Base-Backbone interact. energy: -2.286 local terms energy: -556.081660 where: bonds (distance) C4'-P energy: -128.709 bonds (distance) P-C4' energy: -112.210 flat angles C4'-P-C4' energy: -128.450 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -106.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1230.769170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.769170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.769170 (E_RNA) where: Base-Base interactions energy: -771.710 where: short stacking energy: -340.503 Base-Backbone interact. energy: -2.218 local terms energy: -456.840660 where: bonds (distance) C4'-P energy: -97.968 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -127.794 flat angles P-C4'-P energy: -60.964 tors. eta vs tors. theta energy: -65.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -848.185068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.185068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.185068 (E_RNA) where: Base-Base interactions energy: -428.977 where: short stacking energy: -258.218 Base-Backbone interact. energy: -1.809 local terms energy: -417.398599 where: bonds (distance) C4'-P energy: -102.196 bonds (distance) P-C4' energy: -114.608 flat angles C4'-P-C4' energy: -114.684 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -28.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -796.912729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.912729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.912729 (E_RNA) where: Base-Base interactions energy: -418.409 where: short stacking energy: -226.177 Base-Backbone interact. energy: -3.119 local terms energy: -375.384731 where: bonds (distance) C4'-P energy: -107.072 bonds (distance) P-C4' energy: -96.964 flat angles C4'-P-C4' energy: -108.181 flat angles P-C4'-P energy: -53.280 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -486.868374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.868374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.868374 (E_RNA) where: Base-Base interactions energy: -169.801 where: short stacking energy: -142.633 Base-Backbone interact. energy: -2.414 local terms energy: -314.652855 where: bonds (distance) C4'-P energy: -102.030 bonds (distance) P-C4' energy: -107.974 flat angles C4'-P-C4' energy: -82.060 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: 21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2185.169739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.169739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.169739 (E_RNA) where: Base-Base interactions energy: -1526.467 where: short stacking energy: -643.756 Base-Backbone interact. energy: -1.609 local terms energy: -657.093861 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -120.141 flat angles C4'-P-C4' energy: -136.030 flat angles P-C4'-P energy: -89.332 tors. eta vs tors. theta energy: -185.493 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: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2099.641565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.641565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.641565 (E_RNA) where: Base-Base interactions energy: -1458.830 where: short stacking energy: -622.061 Base-Backbone interact. energy: -4.086 local terms energy: -636.725182 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -118.569 flat angles C4'-P-C4' energy: -132.111 flat angles P-C4'-P energy: -92.232 tors. eta vs tors. theta energy: -171.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2008.999481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.999481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.999481 (E_RNA) where: Base-Base interactions energy: -1389.992 where: short stacking energy: -562.806 Base-Backbone interact. energy: 0.564 local terms energy: -619.571553 where: bonds (distance) C4'-P energy: -113.287 bonds (distance) P-C4' energy: -130.044 flat angles C4'-P-C4' energy: -128.271 flat angles P-C4'-P energy: -95.551 tors. eta vs tors. theta energy: -152.419 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: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1907.318060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.318060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.318060 (E_RNA) where: Base-Base interactions energy: -1290.014 where: short stacking energy: -560.887 Base-Backbone interact. energy: 1.154 local terms energy: -618.457273 where: bonds (distance) C4'-P energy: -111.518 bonds (distance) P-C4' energy: -126.592 flat angles C4'-P-C4' energy: -137.836 flat angles P-C4'-P energy: -92.085 tors. eta vs tors. theta energy: -150.426 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: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1744.321634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.321634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.321634 (E_RNA) where: Base-Base interactions energy: -1178.852 where: short stacking energy: -500.056 Base-Backbone interact. energy: -1.875 local terms energy: -563.595130 where: bonds (distance) C4'-P energy: -100.430 bonds (distance) P-C4' energy: -115.381 flat angles C4'-P-C4' energy: -128.204 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -138.965 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: 220 Temperature: 1.150000 Total energy: -1572.661515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.661515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.661515 (E_RNA) where: Base-Base interactions energy: -1032.178 where: short stacking energy: -435.849 Base-Backbone interact. energy: -2.552 local terms energy: -537.931234 where: bonds (distance) C4'-P energy: -101.790 bonds (distance) P-C4' energy: -113.832 flat angles C4'-P-C4' energy: -138.181 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -109.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1225.183281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.183281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.183281 (E_RNA) where: Base-Base interactions energy: -745.343 where: short stacking energy: -347.347 Base-Backbone interact. energy: -0.549 local terms energy: -479.291457 where: bonds (distance) C4'-P energy: -113.577 bonds (distance) P-C4' energy: -108.785 flat angles C4'-P-C4' energy: -114.241 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -73.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -873.620985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.620985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.620985 (E_RNA) where: Base-Base interactions energy: -461.061 where: short stacking energy: -245.906 Base-Backbone interact. energy: 0.720 local terms energy: -413.280220 where: bonds (distance) C4'-P energy: -99.804 bonds (distance) P-C4' energy: -115.461 flat angles C4'-P-C4' energy: -103.411 flat angles P-C4'-P energy: -61.825 tors. eta vs tors. theta energy: -32.778 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: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -758.631839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.631839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.631839 (E_RNA) where: Base-Base interactions energy: -403.684 where: short stacking energy: -241.044 Base-Backbone interact. energy: 2.681 local terms energy: -357.628454 where: bonds (distance) C4'-P energy: -94.624 bonds (distance) P-C4' energy: -97.153 flat angles C4'-P-C4' energy: -101.846 flat angles P-C4'-P energy: -51.113 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: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -525.072746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.072746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.072746 (E_RNA) where: Base-Base interactions energy: -174.436 where: short stacking energy: -152.227 Base-Backbone interact. energy: 4.068 local terms energy: -354.704373 where: bonds (distance) C4'-P energy: -109.991 bonds (distance) P-C4' energy: -108.783 flat angles C4'-P-C4' energy: -94.332 flat angles P-C4'-P energy: -48.429 tors. eta vs tors. theta energy: 6.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2154.677361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.677361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.677361 (E_RNA) where: Base-Base interactions energy: -1474.888 where: short stacking energy: -637.656 Base-Backbone interact. energy: -4.466 local terms energy: -675.323532 where: bonds (distance) C4'-P energy: -109.957 bonds (distance) P-C4' energy: -141.614 flat angles C4'-P-C4' energy: -143.229 flat angles P-C4'-P energy: -95.168 tors. eta vs tors. theta energy: -185.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2079.757162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.757162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.757162 (E_RNA) where: Base-Base interactions energy: -1411.034 where: short stacking energy: -578.290 Base-Backbone interact. energy: -3.304 local terms energy: -665.419736 where: bonds (distance) C4'-P energy: -126.271 bonds (distance) P-C4' energy: -133.104 flat angles C4'-P-C4' energy: -144.626 flat angles P-C4'-P energy: -94.047 tors. eta vs tors. theta energy: -167.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1987.047527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.047527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.047527 (E_RNA) where: Base-Base interactions energy: -1373.866 where: short stacking energy: -577.918 Base-Backbone interact. energy: 1.449 local terms energy: -614.630197 where: bonds (distance) C4'-P energy: -116.889 bonds (distance) P-C4' energy: -119.169 flat angles C4'-P-C4' energy: -135.246 flat angles P-C4'-P energy: -87.817 tors. eta vs tors. theta energy: -155.510 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: 221 Temperature: 1.050000 Total energy: -1852.946603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.946603 (E_RNA) where: Base-Base interactions energy: -1267.799 where: short stacking energy: -534.641 Base-Backbone interact. energy: 1.990 local terms energy: -587.137480 where: bonds (distance) C4'-P energy: -110.227 bonds (distance) P-C4' energy: -111.178 flat angles C4'-P-C4' energy: -126.679 flat angles P-C4'-P energy: -100.294 tors. eta vs tors. theta energy: -138.760 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: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1762.618333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.618333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.618333 (E_RNA) where: Base-Base interactions energy: -1205.331 where: short stacking energy: -506.507 Base-Backbone interact. energy: 1.757 local terms energy: -559.043542 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -104.064 flat angles C4'-P-C4' energy: -126.879 flat angles P-C4'-P energy: -75.203 tors. eta vs tors. theta energy: -139.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1562.397461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.397461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.397461 (E_RNA) where: Base-Base interactions energy: -1011.463 where: short stacking energy: -484.060 Base-Backbone interact. energy: -1.881 local terms energy: -549.053984 where: bonds (distance) C4'-P energy: -108.266 bonds (distance) P-C4' energy: -115.227 flat angles C4'-P-C4' energy: -123.978 flat angles P-C4'-P energy: -74.222 tors. eta vs tors. theta energy: -127.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1232.942803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.942803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.942803 (E_RNA) where: Base-Base interactions energy: -755.249 where: short stacking energy: -337.447 Base-Backbone interact. energy: 1.915 local terms energy: -479.608632 where: bonds (distance) C4'-P energy: -116.260 bonds (distance) P-C4' energy: -111.998 flat angles C4'-P-C4' energy: -112.550 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -64.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -860.420954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.420954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.420954 (E_RNA) where: Base-Base interactions energy: -456.695 where: short stacking energy: -270.294 Base-Backbone interact. energy: 1.990 local terms energy: -405.716450 where: bonds (distance) C4'-P energy: -101.253 bonds (distance) P-C4' energy: -113.543 flat angles C4'-P-C4' energy: -95.305 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -39.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -762.703634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.703634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.703634 (E_RNA) where: Base-Base interactions energy: -405.070 where: short stacking energy: -237.689 Base-Backbone interact. energy: 3.036 local terms energy: -360.668721 where: bonds (distance) C4'-P energy: -106.154 bonds (distance) P-C4' energy: -101.654 flat angles C4'-P-C4' energy: -89.001 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -18.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -519.353589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.353589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.353589 (E_RNA) where: Base-Base interactions energy: -222.969 where: short stacking energy: -183.735 Base-Backbone interact. energy: 6.451 local terms energy: -302.835382 where: bonds (distance) C4'-P energy: -90.469 bonds (distance) P-C4' energy: -100.527 flat angles C4'-P-C4' energy: -66.770 flat angles P-C4'-P energy: -57.355 tors. eta vs tors. theta energy: 12.286 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: 222 Temperature: 0.900000 Total energy: -2175.576401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.576401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.576401 (E_RNA) where: Base-Base interactions energy: -1491.286 where: short stacking energy: -656.613 Base-Backbone interact. energy: -4.553 local terms energy: -679.737552 where: bonds (distance) C4'-P energy: -125.766 bonds (distance) P-C4' energy: -127.877 flat angles C4'-P-C4' energy: -139.816 flat angles P-C4'-P energy: -92.299 tors. eta vs tors. theta energy: -193.979 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: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2096.048113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.048113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.048113 (E_RNA) where: Base-Base interactions energy: -1459.522 where: short stacking energy: -613.694 Base-Backbone interact. energy: -3.725 local terms energy: -632.800875 where: bonds (distance) C4'-P energy: -107.090 bonds (distance) P-C4' energy: -108.816 flat angles C4'-P-C4' energy: -139.200 flat angles P-C4'-P energy: -105.749 tors. eta vs tors. theta energy: -171.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1984.706727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.706727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.706727 (E_RNA) where: Base-Base interactions energy: -1373.624 where: short stacking energy: -560.004 Base-Backbone interact. energy: 0.586 local terms energy: -611.668538 where: bonds (distance) C4'-P energy: -115.572 bonds (distance) P-C4' energy: -124.850 flat angles C4'-P-C4' energy: -131.769 flat angles P-C4'-P energy: -84.109 tors. eta vs tors. theta energy: -155.368 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: 222 Temperature: 1.050000 Total energy: -1881.719373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.719373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.719373 (E_RNA) where: Base-Base interactions energy: -1251.957 where: short stacking energy: -532.102 Base-Backbone interact. energy: -0.605 local terms energy: -629.157735 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -128.667 flat angles C4'-P-C4' energy: -144.015 flat angles P-C4'-P energy: -96.527 tors. eta vs tors. theta energy: -147.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1755.760563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.760563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.760563 (E_RNA) where: Base-Base interactions energy: -1205.098 where: short stacking energy: -499.996 Base-Backbone interact. energy: -1.084 local terms energy: -549.578639 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -106.897 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -95.117 tors. eta vs tors. theta energy: -129.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1608.287672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.287672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.287672 (E_RNA) where: Base-Base interactions energy: -1060.018 where: short stacking energy: -471.125 Base-Backbone interact. energy: -0.055 local terms energy: -548.213846 where: bonds (distance) C4'-P energy: -103.601 bonds (distance) P-C4' energy: -124.734 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -122.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1215.902195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.902195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.902195 (E_RNA) where: Base-Base interactions energy: -773.785 where: short stacking energy: -366.482 Base-Backbone interact. energy: -1.470 local terms energy: -440.647468 where: bonds (distance) C4'-P energy: -112.458 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -97.953 flat angles P-C4'-P energy: -65.571 tors. eta vs tors. theta energy: -72.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -827.317334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.317334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.317334 (E_RNA) where: Base-Base interactions energy: -433.506 where: short stacking energy: -230.434 Base-Backbone interact. energy: -0.570 local terms energy: -393.240796 where: bonds (distance) C4'-P energy: -105.150 bonds (distance) P-C4' energy: -94.013 flat angles C4'-P-C4' energy: -96.516 flat angles P-C4'-P energy: -82.793 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -810.751449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.751449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.751449 (E_RNA) where: Base-Base interactions energy: -425.932 where: short stacking energy: -245.781 Base-Backbone interact. energy: -0.134 local terms energy: -384.684915 where: bonds (distance) C4'-P energy: -110.493 bonds (distance) P-C4' energy: -111.662 flat angles C4'-P-C4' energy: -89.790 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -13.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -488.268697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.268697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.268697 (E_RNA) where: Base-Base interactions energy: -194.355 where: short stacking energy: -135.772 Base-Backbone interact. energy: 0.994 local terms energy: -294.907685 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -90.815 flat angles C4'-P-C4' energy: -94.450 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: 37.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2191.737137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.737137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.737137 (E_RNA) where: Base-Base interactions energy: -1497.050 where: short stacking energy: -632.218 Base-Backbone interact. energy: -3.876 local terms energy: -690.811981 where: bonds (distance) C4'-P energy: -120.634 bonds (distance) P-C4' energy: -131.717 flat angles C4'-P-C4' energy: -149.669 flat angles P-C4'-P energy: -95.752 tors. eta vs tors. theta energy: -193.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2071.738444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.738444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.738444 (E_RNA) where: Base-Base interactions energy: -1430.701 where: short stacking energy: -585.500 Base-Backbone interact. energy: -3.981 local terms energy: -637.056910 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -129.099 flat angles P-C4'-P energy: -91.803 tors. eta vs tors. theta energy: -168.716 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: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1962.682966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.682966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.682966 (E_RNA) where: Base-Base interactions energy: -1368.957 where: short stacking energy: -546.209 Base-Backbone interact. energy: -3.101 local terms energy: -590.625232 where: bonds (distance) C4'-P energy: -111.756 bonds (distance) P-C4' energy: -126.478 flat angles C4'-P-C4' energy: -123.358 flat angles P-C4'-P energy: -86.155 tors. eta vs tors. theta energy: -142.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1851.331693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.331693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.331693 (E_RNA) where: Base-Base interactions energy: -1266.552 where: short stacking energy: -518.501 Base-Backbone interact. energy: -2.916 local terms energy: -581.863690 where: bonds (distance) C4'-P energy: -121.829 bonds (distance) P-C4' energy: -108.229 flat angles C4'-P-C4' energy: -126.962 flat angles P-C4'-P energy: -88.778 tors. eta vs tors. theta energy: -136.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1784.886386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.886386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.886386 (E_RNA) where: Base-Base interactions energy: -1192.354 where: short stacking energy: -500.708 Base-Backbone interact. energy: -3.522 local terms energy: -589.010475 where: bonds (distance) C4'-P energy: -121.221 bonds (distance) P-C4' energy: -123.303 flat angles C4'-P-C4' energy: -126.996 flat angles P-C4'-P energy: -81.895 tors. eta vs tors. theta energy: -135.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1631.641245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.641245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.641245 (E_RNA) where: Base-Base interactions energy: -1062.486 where: short stacking energy: -487.697 Base-Backbone interact. energy: -3.033 local terms energy: -566.122061 where: bonds (distance) C4'-P energy: -104.080 bonds (distance) P-C4' energy: -118.553 flat angles C4'-P-C4' energy: -132.410 flat angles P-C4'-P energy: -86.982 tors. eta vs tors. theta energy: -124.099 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: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1211.190358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.190358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.190358 (E_RNA) where: Base-Base interactions energy: -756.313 where: short stacking energy: -377.856 Base-Backbone interact. energy: -0.469 local terms energy: -454.408198 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -102.387 flat angles C4'-P-C4' energy: -100.822 flat angles P-C4'-P energy: -67.251 tors. eta vs tors. theta energy: -80.498 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: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -856.606964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.606964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.606964 (E_RNA) where: Base-Base interactions energy: -479.997 where: short stacking energy: -271.102 Base-Backbone interact. energy: -4.832 local terms energy: -371.777631 where: bonds (distance) C4'-P energy: -98.335 bonds (distance) P-C4' energy: -88.048 flat angles C4'-P-C4' energy: -109.579 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -17.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -802.091472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.091472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.091472 (E_RNA) where: Base-Base interactions energy: -450.753 where: short stacking energy: -248.107 Base-Backbone interact. energy: -0.323 local terms energy: -351.014723 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -110.808 flat angles C4'-P-C4' energy: -81.999 flat angles P-C4'-P energy: -60.999 tors. eta vs tors. theta energy: -8.220 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: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -481.358363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.358363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.358363 (E_RNA) where: Base-Base interactions energy: -149.533 where: short stacking energy: -135.558 Base-Backbone interact. energy: -0.459 local terms energy: -331.365860 where: bonds (distance) C4'-P energy: -98.783 bonds (distance) P-C4' energy: -103.531 flat angles C4'-P-C4' energy: -94.550 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: 20.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2193.341757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.341757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.341757 (E_RNA) where: Base-Base interactions energy: -1503.311 where: short stacking energy: -634.084 Base-Backbone interact. energy: -2.044 local terms energy: -687.986617 where: bonds (distance) C4'-P energy: -130.562 bonds (distance) P-C4' energy: -129.714 flat angles C4'-P-C4' energy: -138.863 flat angles P-C4'-P energy: -100.288 tors. eta vs tors. theta energy: -188.560 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: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2072.583711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.583711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.583711 (E_RNA) where: Base-Base interactions energy: -1447.407 where: short stacking energy: -581.406 Base-Backbone interact. energy: -4.618 local terms energy: -620.558600 where: bonds (distance) C4'-P energy: -113.613 bonds (distance) P-C4' energy: -117.024 flat angles C4'-P-C4' energy: -137.728 flat angles P-C4'-P energy: -86.826 tors. eta vs tors. theta energy: -165.368 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: 9 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1990.851563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.851563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.851563 (E_RNA) where: Base-Base interactions energy: -1382.900 where: short stacking energy: -548.556 Base-Backbone interact. energy: -4.683 local terms energy: -603.267834 where: bonds (distance) C4'-P energy: -122.747 bonds (distance) P-C4' energy: -113.689 flat angles C4'-P-C4' energy: -123.713 flat angles P-C4'-P energy: -93.011 tors. eta vs tors. theta energy: -150.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1818.892480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.892480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.892480 (E_RNA) where: Base-Base interactions energy: -1244.275 where: short stacking energy: -501.972 Base-Backbone interact. energy: 2.992 local terms energy: -577.609327 where: bonds (distance) C4'-P energy: -119.415 bonds (distance) P-C4' energy: -116.865 flat angles C4'-P-C4' energy: -128.701 flat angles P-C4'-P energy: -84.084 tors. eta vs tors. theta energy: -128.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1800.192676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.192676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.192676 (E_RNA) where: Base-Base interactions energy: -1228.307 where: short stacking energy: -544.590 Base-Backbone interact. energy: -5.849 local terms energy: -566.036189 where: bonds (distance) C4'-P energy: -115.573 bonds (distance) P-C4' energy: -112.586 flat angles C4'-P-C4' energy: -119.304 flat angles P-C4'-P energy: -67.493 tors. eta vs tors. theta energy: -151.079 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: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1630.343697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.343697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.343697 (E_RNA) where: Base-Base interactions energy: -1096.040 where: short stacking energy: -517.817 Base-Backbone interact. energy: -0.001 local terms energy: -534.303242 where: bonds (distance) C4'-P energy: -99.116 bonds (distance) P-C4' energy: -106.775 flat angles C4'-P-C4' energy: -122.573 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: -138.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1158.012680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.012680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.012680 (E_RNA) where: Base-Base interactions energy: -684.621 where: short stacking energy: -328.300 Base-Backbone interact. energy: -2.765 local terms energy: -470.625784 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -109.643 flat angles C4'-P-C4' energy: -109.235 flat angles P-C4'-P energy: -76.331 tors. eta vs tors. theta energy: -69.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -820.781155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.781155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.781155 (E_RNA) where: Base-Base interactions energy: -442.520 where: short stacking energy: -233.833 Base-Backbone interact. energy: 7.567 local terms energy: -385.828175 where: bonds (distance) C4'-P energy: -93.767 bonds (distance) P-C4' energy: -115.830 flat angles C4'-P-C4' energy: -109.992 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -8.804 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: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -753.895646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.895646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.895646 (E_RNA) where: Base-Base interactions energy: -395.293 where: short stacking energy: -219.246 Base-Backbone interact. energy: 0.603 local terms energy: -359.205964 where: bonds (distance) C4'-P energy: -91.540 bonds (distance) P-C4' energy: -109.839 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -3.436 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: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -560.507668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.507668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.507668 (E_RNA) where: Base-Base interactions energy: -264.774 where: short stacking energy: -172.080 Base-Backbone interact. energy: 3.917 local terms energy: -299.651021 where: bonds (distance) C4'-P energy: -97.987 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -77.693 flat angles P-C4'-P energy: -24.809 tors. eta vs tors. theta energy: 22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2200.400965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.400965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.400965 (E_RNA) where: Base-Base interactions energy: -1489.066 where: short stacking energy: -659.925 Base-Backbone interact. energy: -2.731 local terms energy: -708.604171 where: bonds (distance) C4'-P energy: -121.940 bonds (distance) P-C4' energy: -129.237 flat angles C4'-P-C4' energy: -156.438 flat angles P-C4'-P energy: -108.024 tors. eta vs tors. theta energy: -192.965 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: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2082.966117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.966117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.966117 (E_RNA) where: Base-Base interactions energy: -1447.766 where: short stacking energy: -568.219 Base-Backbone interact. energy: -3.058 local terms energy: -632.142386 where: bonds (distance) C4'-P energy: -125.167 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -119.371 flat angles P-C4'-P energy: -94.690 tors. eta vs tors. theta energy: -162.430 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: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2001.651882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.651882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.651882 (E_RNA) where: Base-Base interactions energy: -1397.726 where: short stacking energy: -546.963 Base-Backbone interact. energy: 3.490 local terms energy: -607.415164 where: bonds (distance) C4'-P energy: -123.840 bonds (distance) P-C4' energy: -111.644 flat angles C4'-P-C4' energy: -132.857 flat angles P-C4'-P energy: -94.781 tors. eta vs tors. theta energy: -144.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1852.920974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.920974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.920974 (E_RNA) where: Base-Base interactions energy: -1275.874 where: short stacking energy: -532.555 Base-Backbone interact. energy: 0.978 local terms energy: -578.025460 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -111.155 flat angles C4'-P-C4' energy: -115.623 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -134.693 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: 225 Temperature: 1.100000 Total energy: -1798.504687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.504687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.504687 (E_RNA) where: Base-Base interactions energy: -1222.675 where: short stacking energy: -501.068 Base-Backbone interact. energy: -0.587 local terms energy: -575.243008 where: bonds (distance) C4'-P energy: -96.189 bonds (distance) P-C4' energy: -121.533 flat angles C4'-P-C4' energy: -129.394 flat angles P-C4'-P energy: -84.635 tors. eta vs tors. theta energy: -143.492 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: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1558.392637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.392637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.392637 (E_RNA) where: Base-Base interactions energy: -1016.876 where: short stacking energy: -464.052 Base-Backbone interact. energy: -4.483 local terms energy: -537.033645 where: bonds (distance) C4'-P energy: -115.074 bonds (distance) P-C4' energy: -107.601 flat angles C4'-P-C4' energy: -126.095 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -109.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1194.328060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.328060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.328060 (E_RNA) where: Base-Base interactions energy: -752.283 where: short stacking energy: -353.761 Base-Backbone interact. energy: -1.501 local terms energy: -440.543767 where: bonds (distance) C4'-P energy: -89.555 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -104.627 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -86.093 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: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -924.594204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.594204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.594204 (E_RNA) where: Base-Base interactions energy: -538.972 where: short stacking energy: -257.789 Base-Backbone interact. energy: 4.683 local terms energy: -390.305197 where: bonds (distance) C4'-P energy: -104.674 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -96.804 flat angles P-C4'-P energy: -42.401 tors. eta vs tors. theta energy: -29.929 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: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -770.206407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.206407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.206407 (E_RNA) where: Base-Base interactions energy: -414.235 where: short stacking energy: -224.291 Base-Backbone interact. energy: -1.347 local terms energy: -354.624404 where: bonds (distance) C4'-P energy: -103.984 bonds (distance) P-C4' energy: -97.958 flat angles C4'-P-C4' energy: -83.211 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -24.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -590.024177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.024177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.024177 (E_RNA) where: Base-Base interactions energy: -249.602 where: short stacking energy: -159.258 Base-Backbone interact. energy: -1.205 local terms energy: -339.217121 where: bonds (distance) C4'-P energy: -100.075 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -98.064 flat angles P-C4'-P energy: -39.097 tors. eta vs tors. theta energy: 15.341 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: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2195.749666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.749666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.749666 (E_RNA) where: Base-Base interactions energy: -1495.624 where: short stacking energy: -633.282 Base-Backbone interact. energy: -3.597 local terms energy: -696.529447 where: bonds (distance) C4'-P energy: -135.203 bonds (distance) P-C4' energy: -127.063 flat angles C4'-P-C4' energy: -147.799 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -194.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2097.178399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.178399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.178399 (E_RNA) where: Base-Base interactions energy: -1439.620 where: short stacking energy: -607.880 Base-Backbone interact. energy: -2.426 local terms energy: -655.132792 where: bonds (distance) C4'-P energy: -130.693 bonds (distance) P-C4' energy: -127.227 flat angles C4'-P-C4' energy: -134.420 flat angles P-C4'-P energy: -87.218 tors. eta vs tors. theta energy: -175.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1966.909138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.909138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.909138 (E_RNA) where: Base-Base interactions energy: -1355.491 where: short stacking energy: -564.080 Base-Backbone interact. energy: -0.597 local terms energy: -610.821532 where: bonds (distance) C4'-P energy: -112.974 bonds (distance) P-C4' energy: -125.215 flat angles C4'-P-C4' energy: -139.190 flat angles P-C4'-P energy: -86.979 tors. eta vs tors. theta energy: -146.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1795.101935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.101935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.101935 (E_RNA) where: Base-Base interactions energy: -1220.470 where: short stacking energy: -525.446 Base-Backbone interact. energy: -1.601 local terms energy: -573.031607 where: bonds (distance) C4'-P energy: -110.884 bonds (distance) P-C4' energy: -116.385 flat angles C4'-P-C4' energy: -124.142 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -135.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1797.459335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.459335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.459335 (E_RNA) where: Base-Base interactions energy: -1222.703 where: short stacking energy: -521.704 Base-Backbone interact. energy: 1.119 local terms energy: -575.876017 where: bonds (distance) C4'-P energy: -109.572 bonds (distance) P-C4' energy: -109.744 flat angles C4'-P-C4' energy: -120.206 flat angles P-C4'-P energy: -89.358 tors. eta vs tors. theta energy: -146.997 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: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1605.300124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.300124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.300124 (E_RNA) where: Base-Base interactions energy: -1060.769 where: short stacking energy: -459.059 Base-Backbone interact. energy: 2.188 local terms energy: -546.719482 where: bonds (distance) C4'-P energy: -101.499 bonds (distance) P-C4' energy: -123.555 flat angles C4'-P-C4' energy: -129.055 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: -118.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1186.953835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.953835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.953835 (E_RNA) where: Base-Base interactions energy: -733.610 where: short stacking energy: -354.147 Base-Backbone interact. energy: 1.886 local terms energy: -455.229538 where: bonds (distance) C4'-P energy: -96.398 bonds (distance) P-C4' energy: -120.884 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: -55.618 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: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -948.871382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.871382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.871382 (E_RNA) where: Base-Base interactions energy: -535.942 where: short stacking energy: -266.458 Base-Backbone interact. energy: 0.110 local terms energy: -413.039445 where: bonds (distance) C4'-P energy: -111.061 bonds (distance) P-C4' energy: -98.625 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -31.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -823.688154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.688154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.688154 (E_RNA) where: Base-Base interactions energy: -424.775 where: short stacking energy: -264.145 Base-Backbone interact. energy: -0.447 local terms energy: -398.465964 where: bonds (distance) C4'-P energy: -82.908 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -110.572 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -32.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -581.055658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.055658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.055658 (E_RNA) where: Base-Base interactions energy: -249.641 where: short stacking energy: -174.615 Base-Backbone interact. energy: -3.647 local terms energy: -327.767467 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -91.822 flat angles C4'-P-C4' energy: -87.737 flat angles P-C4'-P energy: -62.659 tors. eta vs tors. theta energy: 24.475 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: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2183.639036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.639036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.639036 (E_RNA) where: Base-Base interactions energy: -1503.835 where: short stacking energy: -621.712 Base-Backbone interact. energy: 2.042 local terms energy: -681.845554 where: bonds (distance) C4'-P energy: -134.192 bonds (distance) P-C4' energy: -125.335 flat angles C4'-P-C4' energy: -151.563 flat angles P-C4'-P energy: -91.912 tors. eta vs tors. theta energy: -178.844 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: 227 Temperature: 0.950000 Total energy: -2132.168799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.168799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.168799 (E_RNA) where: Base-Base interactions energy: -1481.956 where: short stacking energy: -619.688 Base-Backbone interact. energy: 0.768 local terms energy: -650.980311 where: bonds (distance) C4'-P energy: -124.942 bonds (distance) P-C4' energy: -131.060 flat angles C4'-P-C4' energy: -137.423 flat angles P-C4'-P energy: -86.457 tors. eta vs tors. theta energy: -171.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1982.663923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.663923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.663923 (E_RNA) where: Base-Base interactions energy: -1352.333 where: short stacking energy: -556.854 Base-Backbone interact. energy: -5.284 local terms energy: -625.046990 where: bonds (distance) C4'-P energy: -124.226 bonds (distance) P-C4' energy: -126.456 flat angles C4'-P-C4' energy: -141.218 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -148.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1906.415872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.415872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.415872 (E_RNA) where: Base-Base interactions energy: -1300.530 where: short stacking energy: -544.967 Base-Backbone interact. energy: -4.342 local terms energy: -601.543462 where: bonds (distance) C4'-P energy: -117.023 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -127.615 flat angles P-C4'-P energy: -90.270 tors. eta vs tors. theta energy: -157.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1860.590484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.590484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.590484 (E_RNA) where: Base-Base interactions energy: -1277.112 where: short stacking energy: -509.635 Base-Backbone interact. energy: -1.006 local terms energy: -582.472188 where: bonds (distance) C4'-P energy: -106.597 bonds (distance) P-C4' energy: -118.586 flat angles C4'-P-C4' energy: -125.011 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: -145.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1592.502657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.502657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.502657 (E_RNA) where: Base-Base interactions energy: -1040.876 where: short stacking energy: -479.699 Base-Backbone interact. energy: -1.176 local terms energy: -550.450463 where: bonds (distance) C4'-P energy: -100.769 bonds (distance) P-C4' energy: -122.479 flat angles C4'-P-C4' energy: -121.121 flat angles P-C4'-P energy: -76.642 tors. eta vs tors. theta energy: -129.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1311.651791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.651791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.651791 (E_RNA) where: Base-Base interactions energy: -788.842 where: short stacking energy: -377.420 Base-Backbone interact. energy: -1.491 local terms energy: -521.318110 where: bonds (distance) C4'-P energy: -113.130 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -115.985 flat angles P-C4'-P energy: -70.746 tors. eta vs tors. theta energy: -94.888 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: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -970.868177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.868177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.868177 (E_RNA) where: Base-Base interactions energy: -588.086 where: short stacking energy: -296.702 Base-Backbone interact. energy: -1.329 local terms energy: -381.452810 where: bonds (distance) C4'-P energy: -104.724 bonds (distance) P-C4' energy: -103.956 flat angles C4'-P-C4' energy: -93.564 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -21.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -791.937777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.937777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.937777 (E_RNA) where: Base-Base interactions energy: -429.124 where: short stacking energy: -231.044 Base-Backbone interact. energy: -0.406 local terms energy: -362.407480 where: bonds (distance) C4'-P energy: -98.299 bonds (distance) P-C4' energy: -96.487 flat angles C4'-P-C4' energy: -98.648 flat angles P-C4'-P energy: -64.139 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -516.146815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.146815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.146815 (E_RNA) where: Base-Base interactions energy: -192.282 where: short stacking energy: -165.778 Base-Backbone interact. energy: 0.339 local terms energy: -324.203868 where: bonds (distance) C4'-P energy: -94.257 bonds (distance) P-C4' energy: -109.164 flat angles C4'-P-C4' energy: -100.750 flat angles P-C4'-P energy: -35.134 tors. eta vs tors. theta energy: 15.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2187.481901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.481901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.481901 (E_RNA) where: Base-Base interactions energy: -1511.929 where: short stacking energy: -646.535 Base-Backbone interact. energy: -3.331 local terms energy: -672.222100 where: bonds (distance) C4'-P energy: -133.152 bonds (distance) P-C4' energy: -124.192 flat angles C4'-P-C4' energy: -137.010 flat angles P-C4'-P energy: -98.599 tors. eta vs tors. theta energy: -179.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2122.005419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.005419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.005419 (E_RNA) where: Base-Base interactions energy: -1455.104 where: short stacking energy: -617.944 Base-Backbone interact. energy: -2.773 local terms energy: -664.128976 where: bonds (distance) C4'-P energy: -114.159 bonds (distance) P-C4' energy: -128.902 flat angles C4'-P-C4' energy: -134.543 flat angles P-C4'-P energy: -100.322 tors. eta vs tors. theta energy: -186.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1948.703783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.703783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.703783 (E_RNA) where: Base-Base interactions energy: -1346.577 where: short stacking energy: -547.433 Base-Backbone interact. energy: -5.001 local terms energy: -597.126655 where: bonds (distance) C4'-P energy: -119.796 bonds (distance) P-C4' energy: -117.166 flat angles C4'-P-C4' energy: -120.221 flat angles P-C4'-P energy: -90.182 tors. eta vs tors. theta energy: -149.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1860.807267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.807267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.807267 (E_RNA) where: Base-Base interactions energy: -1278.767 where: short stacking energy: -514.402 Base-Backbone interact. energy: 5.023 local terms energy: -587.062778 where: bonds (distance) C4'-P energy: -107.134 bonds (distance) P-C4' energy: -115.723 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -88.116 tors. eta vs tors. theta energy: -150.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1800.040350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.040350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.040350 (E_RNA) where: Base-Base interactions energy: -1213.723 where: short stacking energy: -530.967 Base-Backbone interact. energy: -0.482 local terms energy: -585.835812 where: bonds (distance) C4'-P energy: -108.660 bonds (distance) P-C4' energy: -99.480 flat angles C4'-P-C4' energy: -128.807 flat angles P-C4'-P energy: -91.178 tors. eta vs tors. theta energy: -157.710 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: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1593.693973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.693973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.693973 (E_RNA) where: Base-Base interactions energy: -1041.050 where: short stacking energy: -448.246 Base-Backbone interact. energy: 3.453 local terms energy: -556.096991 where: bonds (distance) C4'-P energy: -112.543 bonds (distance) P-C4' energy: -121.569 flat angles C4'-P-C4' energy: -117.308 flat angles P-C4'-P energy: -85.043 tors. eta vs tors. theta energy: -119.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1293.282908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.282908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.282908 (E_RNA) where: Base-Base interactions energy: -827.363 where: short stacking energy: -387.936 Base-Backbone interact. energy: 7.756 local terms energy: -473.676210 where: bonds (distance) C4'-P energy: -112.375 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -74.507 tors. eta vs tors. theta energy: -73.125 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: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -994.303592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.303592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.303592 (E_RNA) where: Base-Base interactions energy: -568.172 where: short stacking energy: -305.423 Base-Backbone interact. energy: -2.931 local terms energy: -423.200061 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -102.700 flat angles C4'-P-C4' energy: -109.138 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -52.426 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: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -787.044007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.044007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.044007 (E_RNA) where: Base-Base interactions energy: -423.521 where: short stacking energy: -220.155 Base-Backbone interact. energy: 0.246 local terms energy: -363.769354 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -103.180 flat angles C4'-P-C4' energy: -104.614 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -15.932 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -583.346737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.346737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.346737 (E_RNA) where: Base-Base interactions energy: -279.978 where: short stacking energy: -166.986 Base-Backbone interact. energy: 0.526 local terms energy: -303.894393 where: bonds (distance) C4'-P energy: -90.507 bonds (distance) P-C4' energy: -102.278 flat angles C4'-P-C4' energy: -95.995 flat angles P-C4'-P energy: -33.567 tors. eta vs tors. theta energy: 18.452 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: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2175.344985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.344985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.344985 (E_RNA) where: Base-Base interactions energy: -1501.522 where: short stacking energy: -638.941 Base-Backbone interact. energy: -4.870 local terms energy: -668.953332 where: bonds (distance) C4'-P energy: -127.515 bonds (distance) P-C4' energy: -116.065 flat angles C4'-P-C4' energy: -150.790 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -187.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2096.426081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.426081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.426081 (E_RNA) where: Base-Base interactions energy: -1459.945 where: short stacking energy: -636.719 Base-Backbone interact. energy: -2.760 local terms energy: -633.721051 where: bonds (distance) C4'-P energy: -123.660 bonds (distance) P-C4' energy: -124.097 flat angles C4'-P-C4' energy: -123.400 flat angles P-C4'-P energy: -88.596 tors. eta vs tors. theta energy: -173.969 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: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1972.014413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.014413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.014413 (E_RNA) where: Base-Base interactions energy: -1351.704 where: short stacking energy: -546.271 Base-Backbone interact. energy: 0.637 local terms energy: -620.947340 where: bonds (distance) C4'-P energy: -120.474 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -138.166 flat angles P-C4'-P energy: -83.505 tors. eta vs tors. theta energy: -143.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1884.822935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.822935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.822935 (E_RNA) where: Base-Base interactions energy: -1261.804 where: short stacking energy: -554.689 Base-Backbone interact. energy: 0.774 local terms energy: -623.792725 where: bonds (distance) C4'-P energy: -124.971 bonds (distance) P-C4' energy: -128.368 flat angles C4'-P-C4' energy: -136.674 flat angles P-C4'-P energy: -72.152 tors. eta vs tors. theta energy: -161.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1761.871346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.871346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.871346 (E_RNA) where: Base-Base interactions energy: -1203.868 where: short stacking energy: -511.254 Base-Backbone interact. energy: -4.542 local terms energy: -553.461433 where: bonds (distance) C4'-P energy: -89.780 bonds (distance) P-C4' energy: -109.237 flat angles C4'-P-C4' energy: -139.786 flat angles P-C4'-P energy: -82.779 tors. eta vs tors. theta energy: -131.880 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: 6, replica: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1612.524666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.524666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.524666 (E_RNA) where: Base-Base interactions energy: -1077.848 where: short stacking energy: -487.274 Base-Backbone interact. energy: 2.236 local terms energy: -536.912575 where: bonds (distance) C4'-P energy: -106.724 bonds (distance) P-C4' energy: -118.453 flat angles C4'-P-C4' energy: -114.411 flat angles P-C4'-P energy: -73.737 tors. eta vs tors. theta energy: -123.587 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: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1249.466660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.466660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.466660 (E_RNA) where: Base-Base interactions energy: -770.435 where: short stacking energy: -361.234 Base-Backbone interact. energy: -4.293 local terms energy: -474.738878 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -117.644 flat angles C4'-P-C4' energy: -108.915 flat angles P-C4'-P energy: -90.892 tors. eta vs tors. theta energy: -60.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -938.606539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.606539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.606539 (E_RNA) where: Base-Base interactions energy: -512.865 where: short stacking energy: -254.932 Base-Backbone interact. energy: 1.589 local terms energy: -427.330765 where: bonds (distance) C4'-P energy: -112.933 bonds (distance) P-C4' energy: -116.511 flat angles C4'-P-C4' energy: -103.538 flat angles P-C4'-P energy: -72.078 tors. eta vs tors. theta energy: -22.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -814.092438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.092438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.092438 (E_RNA) where: Base-Base interactions energy: -450.309 where: short stacking energy: -219.232 Base-Backbone interact. energy: 2.419 local terms energy: -366.201751 where: bonds (distance) C4'-P energy: -95.259 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -85.149 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -8.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -571.665340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.665340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.665340 (E_RNA) where: Base-Base interactions energy: -227.108 where: short stacking energy: -152.295 Base-Backbone interact. energy: -1.732 local terms energy: -342.825972 where: bonds (distance) C4'-P energy: -103.428 bonds (distance) P-C4' energy: -102.861 flat angles C4'-P-C4' energy: -88.446 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: 16.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2172.902305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.902305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.902305 (E_RNA) where: Base-Base interactions energy: -1505.967 where: short stacking energy: -645.250 Base-Backbone interact. energy: -1.524 local terms energy: -665.410935 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -122.146 flat angles C4'-P-C4' energy: -148.180 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -179.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2134.674025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.674025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.674025 (E_RNA) where: Base-Base interactions energy: -1492.169 where: short stacking energy: -615.355 Base-Backbone interact. energy: -6.192 local terms energy: -636.312640 where: bonds (distance) C4'-P energy: -117.626 bonds (distance) P-C4' energy: -131.270 flat angles C4'-P-C4' energy: -126.073 flat angles P-C4'-P energy: -88.760 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: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1982.384185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.384185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.384185 (E_RNA) where: Base-Base interactions energy: -1388.430 where: short stacking energy: -573.963 Base-Backbone interact. energy: -2.610 local terms energy: -591.343758 where: bonds (distance) C4'-P energy: -111.495 bonds (distance) P-C4' energy: -112.880 flat angles C4'-P-C4' energy: -122.657 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -158.377 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: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1910.475964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.475964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.475964 (E_RNA) where: Base-Base interactions energy: -1296.020 where: short stacking energy: -549.519 Base-Backbone interact. energy: -1.058 local terms energy: -613.397884 where: bonds (distance) C4'-P energy: -120.873 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -128.523 flat angles P-C4'-P energy: -92.947 tors. eta vs tors. theta energy: -164.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1704.701370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.701370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.701370 (E_RNA) where: Base-Base interactions energy: -1144.982 where: short stacking energy: -500.460 Base-Backbone interact. energy: -1.081 local terms energy: -558.637697 where: bonds (distance) C4'-P energy: -110.476 bonds (distance) P-C4' energy: -113.939 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: -127.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1567.355661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.355661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.355661 (E_RNA) where: Base-Base interactions energy: -1044.280 where: short stacking energy: -440.528 Base-Backbone interact. energy: -2.833 local terms energy: -520.243402 where: bonds (distance) C4'-P energy: -110.263 bonds (distance) P-C4' energy: -116.504 flat angles C4'-P-C4' energy: -108.900 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -108.395 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: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1242.470608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.470608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.470608 (E_RNA) where: Base-Base interactions energy: -765.949 where: short stacking energy: -346.564 Base-Backbone interact. energy: 0.496 local terms energy: -477.017985 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -115.563 flat angles C4'-P-C4' energy: -105.996 flat angles P-C4'-P energy: -73.759 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: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -943.162577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.162577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.162577 (E_RNA) where: Base-Base interactions energy: -514.030 where: short stacking energy: -275.572 Base-Backbone interact. energy: -2.431 local terms energy: -426.701474 where: bonds (distance) C4'-P energy: -107.694 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -117.267 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -28.114 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: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -781.002916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.002916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.002916 (E_RNA) where: Base-Base interactions energy: -400.754 where: short stacking energy: -201.360 Base-Backbone interact. energy: 1.116 local terms energy: -381.365824 where: bonds (distance) C4'-P energy: -110.708 bonds (distance) P-C4' energy: -102.011 flat angles C4'-P-C4' energy: -98.814 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -675.255525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.255525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.255525 (E_RNA) where: Base-Base interactions energy: -335.289 where: short stacking energy: -212.734 Base-Backbone interact. energy: 1.214 local terms energy: -341.180422 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -109.389 flat angles C4'-P-C4' energy: -76.883 flat angles P-C4'-P energy: -62.986 tors. eta vs tors. theta energy: -7.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2170.397794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.397794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.397794 (E_RNA) where: Base-Base interactions energy: -1499.694 where: short stacking energy: -645.659 Base-Backbone interact. energy: -3.982 local terms energy: -666.721222 where: bonds (distance) C4'-P energy: -125.332 bonds (distance) P-C4' energy: -127.460 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -93.352 tors. eta vs tors. theta energy: -183.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2108.130915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.130915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.130915 (E_RNA) where: Base-Base interactions energy: -1442.737 where: short stacking energy: -593.203 Base-Backbone interact. energy: -5.275 local terms energy: -660.118142 where: bonds (distance) C4'-P energy: -115.157 bonds (distance) P-C4' energy: -130.976 flat angles C4'-P-C4' energy: -137.107 flat angles P-C4'-P energy: -88.402 tors. eta vs tors. theta energy: -188.475 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: 3, replica: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1988.483102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.483102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.483102 (E_RNA) where: Base-Base interactions energy: -1365.157 where: short stacking energy: -555.198 Base-Backbone interact. energy: -3.491 local terms energy: -619.834967 where: bonds (distance) C4'-P energy: -128.089 bonds (distance) P-C4' energy: -121.811 flat angles C4'-P-C4' energy: -136.282 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -147.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1954.105970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.105970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.105970 (E_RNA) where: Base-Base interactions energy: -1337.238 where: short stacking energy: -549.933 Base-Backbone interact. energy: -2.329 local terms energy: -614.538467 where: bonds (distance) C4'-P energy: -107.471 bonds (distance) P-C4' energy: -111.494 flat angles C4'-P-C4' energy: -138.276 flat angles P-C4'-P energy: -83.892 tors. eta vs tors. theta energy: -173.405 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: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1696.653153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.653153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.653153 (E_RNA) where: Base-Base interactions energy: -1159.812 where: short stacking energy: -523.723 Base-Backbone interact. energy: -1.821 local terms energy: -535.020692 where: bonds (distance) C4'-P energy: -94.751 bonds (distance) P-C4' energy: -104.755 flat angles C4'-P-C4' energy: -118.021 flat angles P-C4'-P energy: -91.225 tors. eta vs tors. theta energy: -126.268 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: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1512.639278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.639278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.639278 (E_RNA) where: Base-Base interactions energy: -979.501 where: short stacking energy: -440.535 Base-Backbone interact. energy: -5.407 local terms energy: -527.730469 where: bonds (distance) C4'-P energy: -103.696 bonds (distance) P-C4' energy: -114.078 flat angles C4'-P-C4' energy: -128.949 flat angles P-C4'-P energy: -81.257 tors. eta vs tors. theta energy: -99.752 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: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1282.587224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.587224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.587224 (E_RNA) where: Base-Base interactions energy: -814.690 where: short stacking energy: -367.192 Base-Backbone interact. energy: 0.315 local terms energy: -468.211449 where: bonds (distance) C4'-P energy: -97.960 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -105.908 flat angles P-C4'-P energy: -70.389 tors. eta vs tors. theta energy: -79.616 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: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -874.620643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.620643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.620643 (E_RNA) where: Base-Base interactions energy: -478.978 where: short stacking energy: -252.635 Base-Backbone interact. energy: 0.685 local terms energy: -396.327641 where: bonds (distance) C4'-P energy: -101.795 bonds (distance) P-C4' energy: -95.714 flat angles C4'-P-C4' energy: -99.355 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: -20.340 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: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -725.567470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.567470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.567470 (E_RNA) where: Base-Base interactions energy: -372.315 where: short stacking energy: -228.638 Base-Backbone interact. energy: 3.382 local terms energy: -356.633765 where: bonds (distance) C4'-P energy: -96.471 bonds (distance) P-C4' energy: -112.500 flat angles C4'-P-C4' energy: -80.807 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -527.616276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.616276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.616276 (E_RNA) where: Base-Base interactions energy: -228.087 where: short stacking energy: -155.013 Base-Backbone interact. energy: 2.679 local terms energy: -302.208414 where: bonds (distance) C4'-P energy: -96.221 bonds (distance) P-C4' energy: -119.845 flat angles C4'-P-C4' energy: -79.441 flat angles P-C4'-P energy: -30.978 tors. eta vs tors. theta energy: 24.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2198.351728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.351728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.351728 (E_RNA) where: Base-Base interactions energy: -1510.057 where: short stacking energy: -651.698 Base-Backbone interact. energy: -2.105 local terms energy: -686.189416 where: bonds (distance) C4'-P energy: -133.704 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -146.905 flat angles P-C4'-P energy: -92.760 tors. eta vs tors. theta energy: -191.141 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: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2120.756280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.756280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.756280 (E_RNA) where: Base-Base interactions energy: -1469.601 where: short stacking energy: -614.220 Base-Backbone interact. energy: -3.565 local terms energy: -647.590722 where: bonds (distance) C4'-P energy: -123.483 bonds (distance) P-C4' energy: -114.652 flat angles C4'-P-C4' energy: -137.307 flat angles P-C4'-P energy: -85.837 tors. eta vs tors. theta energy: -186.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1968.338739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.338739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.338739 (E_RNA) where: Base-Base interactions energy: -1341.503 where: short stacking energy: -571.759 Base-Backbone interact. energy: -4.069 local terms energy: -622.766733 where: bonds (distance) C4'-P energy: -114.496 bonds (distance) P-C4' energy: -114.689 flat angles C4'-P-C4' energy: -134.989 flat angles P-C4'-P energy: -87.950 tors. eta vs tors. theta energy: -170.643 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: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1978.373739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.373739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.373739 (E_RNA) where: Base-Base interactions energy: -1385.478 where: short stacking energy: -551.527 Base-Backbone interact. energy: 0.886 local terms energy: -593.782601 where: bonds (distance) C4'-P energy: -128.187 bonds (distance) P-C4' energy: -113.271 flat angles C4'-P-C4' energy: -120.236 flat angles P-C4'-P energy: -83.812 tors. eta vs tors. theta energy: -148.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1726.407903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.407903 (E_RNA) where: Base-Base interactions energy: -1148.324 where: short stacking energy: -476.140 Base-Backbone interact. energy: -5.335 local terms energy: -572.749069 where: bonds (distance) C4'-P energy: -115.285 bonds (distance) P-C4' energy: -123.456 flat angles C4'-P-C4' energy: -127.027 flat angles P-C4'-P energy: -84.629 tors. eta vs tors. theta energy: -122.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1533.061356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.061356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.061356 (E_RNA) where: Base-Base interactions energy: -1019.221 where: short stacking energy: -429.746 Base-Backbone interact. energy: -3.340 local terms energy: -510.500699 where: bonds (distance) C4'-P energy: -98.286 bonds (distance) P-C4' energy: -110.814 flat angles C4'-P-C4' energy: -108.903 flat angles P-C4'-P energy: -66.614 tors. eta vs tors. theta energy: -125.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1328.843773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.843773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.843773 (E_RNA) where: Base-Base interactions energy: -882.225 where: short stacking energy: -411.418 Base-Backbone interact. energy: -0.780 local terms energy: -445.838681 where: bonds (distance) C4'-P energy: -100.166 bonds (distance) P-C4' energy: -103.740 flat angles C4'-P-C4' energy: -101.269 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -79.553 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: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -835.483302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.483302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.483302 (E_RNA) where: Base-Base interactions energy: -462.871 where: short stacking energy: -274.026 Base-Backbone interact. energy: 2.831 local terms energy: -375.443918 where: bonds (distance) C4'-P energy: -94.266 bonds (distance) P-C4' energy: -103.578 flat angles C4'-P-C4' energy: -92.564 flat angles P-C4'-P energy: -55.429 tors. eta vs tors. theta energy: -29.607 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: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -775.318469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.318469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.318469 (E_RNA) where: Base-Base interactions energy: -415.850 where: short stacking energy: -232.439 Base-Backbone interact. energy: -3.314 local terms energy: -356.155181 where: bonds (distance) C4'-P energy: -82.306 bonds (distance) P-C4' energy: -117.622 flat angles C4'-P-C4' energy: -96.732 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -12.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -486.537452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.537452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.537452 (E_RNA) where: Base-Base interactions energy: -175.316 where: short stacking energy: -131.993 Base-Backbone interact. energy: -1.947 local terms energy: -309.274210 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -94.714 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -57.240 tors. eta vs tors. theta energy: 37.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2171.156160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.156160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.156160 (E_RNA) where: Base-Base interactions energy: -1493.677 where: short stacking energy: -636.366 Base-Backbone interact. energy: -2.117 local terms energy: -675.361604 where: bonds (distance) C4'-P energy: -120.545 bonds (distance) P-C4' energy: -132.716 flat angles C4'-P-C4' energy: -145.585 flat angles P-C4'-P energy: -96.813 tors. eta vs tors. theta energy: -179.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2184.034576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.034576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.034576 (E_RNA) where: Base-Base interactions energy: -1498.476 where: short stacking energy: -605.689 Base-Backbone interact. energy: -4.537 local terms energy: -681.022170 where: bonds (distance) C4'-P energy: -124.593 bonds (distance) P-C4' energy: -131.875 flat angles C4'-P-C4' energy: -144.032 flat angles P-C4'-P energy: -103.799 tors. eta vs tors. theta energy: -176.724 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: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2007.516372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.516372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.516372 (E_RNA) where: Base-Base interactions energy: -1354.728 where: short stacking energy: -579.268 Base-Backbone interact. energy: -2.188 local terms energy: -650.600468 where: bonds (distance) C4'-P energy: -121.040 bonds (distance) P-C4' energy: -129.173 flat angles C4'-P-C4' energy: -137.730 flat angles P-C4'-P energy: -91.935 tors. eta vs tors. theta energy: -170.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1905.497585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.497585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.497585 (E_RNA) where: Base-Base interactions energy: -1316.191 where: short stacking energy: -517.740 Base-Backbone interact. energy: -1.581 local terms energy: -587.725689 where: bonds (distance) C4'-P energy: -106.284 bonds (distance) P-C4' energy: -129.854 flat angles C4'-P-C4' energy: -124.867 flat angles P-C4'-P energy: -92.739 tors. eta vs tors. theta energy: -133.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1806.298268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.298268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.298268 (E_RNA) where: Base-Base interactions energy: -1254.776 where: short stacking energy: -503.196 Base-Backbone interact. energy: -4.745 local terms energy: -546.777392 where: bonds (distance) C4'-P energy: -109.164 bonds (distance) P-C4' energy: -92.810 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -86.896 tors. eta vs tors. theta energy: -134.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1537.372718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.372718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.372718 (E_RNA) where: Base-Base interactions energy: -1052.416 where: short stacking energy: -447.507 Base-Backbone interact. energy: -2.872 local terms energy: -482.084321 where: bonds (distance) C4'-P energy: -106.442 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -95.313 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -107.959 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: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1420.657652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.657652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.657652 (E_RNA) where: Base-Base interactions energy: -952.253 where: short stacking energy: -445.738 Base-Backbone interact. energy: -0.354 local terms energy: -468.050844 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -112.317 flat angles C4'-P-C4' energy: -107.877 flat angles P-C4'-P energy: -58.639 tors. eta vs tors. theta energy: -92.128 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: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -785.721963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.721963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.721963 (E_RNA) where: Base-Base interactions energy: -383.464 where: short stacking energy: -229.398 Base-Backbone interact. energy: 6.070 local terms energy: -408.328462 where: bonds (distance) C4'-P energy: -90.095 bonds (distance) P-C4' energy: -125.041 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -58.421 tors. eta vs tors. theta energy: -28.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -865.000476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.000476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.000476 (E_RNA) where: Base-Base interactions energy: -460.787 where: short stacking energy: -231.437 Base-Backbone interact. energy: 0.608 local terms energy: -404.821383 where: bonds (distance) C4'-P energy: -106.859 bonds (distance) P-C4' energy: -122.767 flat angles C4'-P-C4' energy: -95.168 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -506.773728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.773728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.773728 (E_RNA) where: Base-Base interactions energy: -164.717 where: short stacking energy: -153.744 Base-Backbone interact. energy: -3.121 local terms energy: -338.935329 where: bonds (distance) C4'-P energy: -91.691 bonds (distance) P-C4' energy: -99.023 flat angles C4'-P-C4' energy: -99.526 flat angles P-C4'-P energy: -61.083 tors. eta vs tors. theta energy: 12.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2188.588459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.588459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.588459 (E_RNA) where: Base-Base interactions energy: -1521.124 where: short stacking energy: -633.564 Base-Backbone interact. energy: -0.203 local terms energy: -667.261434 where: bonds (distance) C4'-P energy: -110.055 bonds (distance) P-C4' energy: -130.981 flat angles C4'-P-C4' energy: -144.636 flat angles P-C4'-P energy: -96.572 tors. eta vs tors. theta energy: -185.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2153.974563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.974563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.974563 (E_RNA) where: Base-Base interactions energy: -1475.396 where: short stacking energy: -626.741 Base-Backbone interact. energy: -3.732 local terms energy: -674.847461 where: bonds (distance) C4'-P energy: -130.240 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -136.065 flat angles P-C4'-P energy: -99.349 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: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2033.345892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.345892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.345892 (E_RNA) where: Base-Base interactions energy: -1403.988 where: short stacking energy: -624.312 Base-Backbone interact. energy: 0.445 local terms energy: -629.802676 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -106.444 flat angles C4'-P-C4' energy: -146.394 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -172.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1912.117853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.117853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.117853 (E_RNA) where: Base-Base interactions energy: -1327.365 where: short stacking energy: -525.099 Base-Backbone interact. energy: -1.933 local terms energy: -582.819085 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -116.804 flat angles C4'-P-C4' energy: -129.461 flat angles P-C4'-P energy: -82.413 tors. eta vs tors. theta energy: -130.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1797.206619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.206619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.206619 (E_RNA) where: Base-Base interactions energy: -1231.149 where: short stacking energy: -510.067 Base-Backbone interact. energy: -1.358 local terms energy: -564.700129 where: bonds (distance) C4'-P energy: -110.021 bonds (distance) P-C4' energy: -128.211 flat angles C4'-P-C4' energy: -117.215 flat angles P-C4'-P energy: -78.178 tors. eta vs tors. theta energy: -131.075 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: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1628.320187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.320187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.320187 (E_RNA) where: Base-Base interactions energy: -1067.559 where: short stacking energy: -482.636 Base-Backbone interact. energy: -2.282 local terms energy: -558.479152 where: bonds (distance) C4'-P energy: -118.519 bonds (distance) P-C4' energy: -109.219 flat angles C4'-P-C4' energy: -116.016 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -136.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1381.422540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.422540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.422540 (E_RNA) where: Base-Base interactions energy: -879.324 where: short stacking energy: -410.338 Base-Backbone interact. energy: -1.969 local terms energy: -500.129793 where: bonds (distance) C4'-P energy: -106.012 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -111.185 flat angles P-C4'-P energy: -74.830 tors. eta vs tors. theta energy: -101.816 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: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -812.574205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.574205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.574205 (E_RNA) where: Base-Base interactions energy: -444.758 where: short stacking energy: -254.199 Base-Backbone interact. energy: -1.173 local terms energy: -366.643315 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -98.524 flat angles C4'-P-C4' energy: -84.878 flat angles P-C4'-P energy: -75.975 tors. eta vs tors. theta energy: -11.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -861.196651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.196651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.196651 (E_RNA) where: Base-Base interactions energy: -495.473 where: short stacking energy: -236.552 Base-Backbone interact. energy: 2.091 local terms energy: -367.814670 where: bonds (distance) C4'-P energy: -82.640 bonds (distance) P-C4' energy: -92.265 flat angles C4'-P-C4' energy: -102.138 flat angles P-C4'-P energy: -67.452 tors. eta vs tors. theta energy: -23.320 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: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -496.779886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.779886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.779886 (E_RNA) where: Base-Base interactions energy: -159.199 where: short stacking energy: -135.372 Base-Backbone interact. energy: 1.863 local terms energy: -339.444011 where: bonds (distance) C4'-P energy: -109.155 bonds (distance) P-C4' energy: -103.641 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: 26.640 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: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2170.568736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.568736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.568736 (E_RNA) where: Base-Base interactions energy: -1483.023 where: short stacking energy: -619.101 Base-Backbone interact. energy: -3.216 local terms energy: -684.330437 where: bonds (distance) C4'-P energy: -118.223 bonds (distance) P-C4' energy: -128.639 flat angles C4'-P-C4' energy: -149.945 flat angles P-C4'-P energy: -100.701 tors. eta vs tors. theta energy: -186.824 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: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2139.703783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.703783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.703783 (E_RNA) where: Base-Base interactions energy: -1490.982 where: short stacking energy: -630.152 Base-Backbone interact. energy: -2.576 local terms energy: -646.146362 where: bonds (distance) C4'-P energy: -125.891 bonds (distance) P-C4' energy: -111.544 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -87.131 tors. eta vs tors. theta energy: -181.162 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: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2009.234374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.234374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.234374 (E_RNA) where: Base-Base interactions energy: -1378.085 where: short stacking energy: -606.059 Base-Backbone interact. energy: -1.975 local terms energy: -629.174721 where: bonds (distance) C4'-P energy: -119.204 bonds (distance) P-C4' energy: -112.368 flat angles C4'-P-C4' energy: -140.222 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -168.879 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1901.642478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.642478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.642478 (E_RNA) where: Base-Base interactions energy: -1341.116 where: short stacking energy: -553.645 Base-Backbone interact. energy: -4.324 local terms energy: -556.203347 where: bonds (distance) C4'-P energy: -109.129 bonds (distance) P-C4' energy: -105.314 flat angles C4'-P-C4' energy: -125.314 flat angles P-C4'-P energy: -82.762 tors. eta vs tors. theta energy: -133.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1810.358056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.358056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.358056 (E_RNA) where: Base-Base interactions energy: -1226.918 where: short stacking energy: -540.120 Base-Backbone interact. energy: -1.942 local terms energy: -581.497936 where: bonds (distance) C4'-P energy: -117.816 bonds (distance) P-C4' energy: -114.140 flat angles C4'-P-C4' energy: -130.685 flat angles P-C4'-P energy: -77.376 tors. eta vs tors. theta energy: -141.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1592.151980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.151980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.151980 (E_RNA) where: Base-Base interactions energy: -1054.642 where: short stacking energy: -461.336 Base-Backbone interact. energy: 1.172 local terms energy: -538.682805 where: bonds (distance) C4'-P energy: -124.922 bonds (distance) P-C4' energy: -119.671 flat angles C4'-P-C4' energy: -113.601 flat angles P-C4'-P energy: -76.114 tors. eta vs tors. theta energy: -104.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1385.535165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.535165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.535165 (E_RNA) where: Base-Base interactions energy: -847.634 where: short stacking energy: -390.256 Base-Backbone interact. energy: -1.603 local terms energy: -536.298526 where: bonds (distance) C4'-P energy: -116.511 bonds (distance) P-C4' energy: -111.528 flat angles C4'-P-C4' energy: -119.609 flat angles P-C4'-P energy: -87.422 tors. eta vs tors. theta energy: -101.229 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: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -808.001796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.001796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.001796 (E_RNA) where: Base-Base interactions energy: -391.224 where: short stacking energy: -251.774 Base-Backbone interact. energy: 0.030 local terms energy: -416.807279 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -121.046 flat angles C4'-P-C4' energy: -125.484 flat angles P-C4'-P energy: -50.194 tors. eta vs tors. theta energy: -13.434 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: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -895.004985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.004985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.004985 (E_RNA) where: Base-Base interactions energy: -489.872 where: short stacking energy: -269.478 Base-Backbone interact. energy: 0.321 local terms energy: -405.454531 where: bonds (distance) C4'-P energy: -85.628 bonds (distance) P-C4' energy: -112.249 flat angles C4'-P-C4' energy: -98.418 flat angles P-C4'-P energy: -68.656 tors. eta vs tors. theta energy: -40.505 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -530.610336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.610336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.610336 (E_RNA) where: Base-Base interactions energy: -231.907 where: short stacking energy: -154.979 Base-Backbone interact. energy: 1.442 local terms energy: -300.145822 where: bonds (distance) C4'-P energy: -90.671 bonds (distance) P-C4' energy: -108.093 flat angles C4'-P-C4' energy: -82.329 flat angles P-C4'-P energy: -38.469 tors. eta vs tors. theta energy: 19.416 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: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2152.438710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.438710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.438710 (E_RNA) where: Base-Base interactions energy: -1501.589 where: short stacking energy: -627.593 Base-Backbone interact. energy: -3.040 local terms energy: -647.809301 where: bonds (distance) C4'-P energy: -122.395 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -137.740 flat angles P-C4'-P energy: -84.980 tors. eta vs tors. theta energy: -180.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2144.516320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.516320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.516320 (E_RNA) where: Base-Base interactions energy: -1471.240 where: short stacking energy: -626.523 Base-Backbone interact. energy: 2.748 local terms energy: -676.024410 where: bonds (distance) C4'-P energy: -122.845 bonds (distance) P-C4' energy: -129.828 flat angles C4'-P-C4' energy: -140.836 flat angles P-C4'-P energy: -100.065 tors. eta vs tors. theta energy: -182.450 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: 236 Temperature: 1.000000 Total energy: -2000.127428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.127428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.127428 (E_RNA) where: Base-Base interactions energy: -1354.055 where: short stacking energy: -579.863 Base-Backbone interact. energy: -2.705 local terms energy: -643.366605 where: bonds (distance) C4'-P energy: -107.254 bonds (distance) P-C4' energy: -127.052 flat angles C4'-P-C4' energy: -140.173 flat angles P-C4'-P energy: -96.983 tors. eta vs tors. theta energy: -171.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1926.107412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.107412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.107412 (E_RNA) where: Base-Base interactions energy: -1329.282 where: short stacking energy: -548.829 Base-Backbone interact. energy: -3.672 local terms energy: -593.153520 where: bonds (distance) C4'-P energy: -117.484 bonds (distance) P-C4' energy: -114.127 flat angles C4'-P-C4' energy: -137.063 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -140.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1836.327688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.327688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.327688 (E_RNA) where: Base-Base interactions energy: -1271.049 where: short stacking energy: -536.211 Base-Backbone interact. energy: -3.657 local terms energy: -561.621764 where: bonds (distance) C4'-P energy: -110.114 bonds (distance) P-C4' energy: -109.955 flat angles C4'-P-C4' energy: -115.459 flat angles P-C4'-P energy: -70.160 tors. eta vs tors. theta energy: -155.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1654.892199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.892199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.892199 (E_RNA) where: Base-Base interactions energy: -1121.885 where: short stacking energy: -487.533 Base-Backbone interact. energy: -1.548 local terms energy: -531.459497 where: bonds (distance) C4'-P energy: -108.560 bonds (distance) P-C4' energy: -109.272 flat angles C4'-P-C4' energy: -123.055 flat angles P-C4'-P energy: -71.326 tors. eta vs tors. theta energy: -119.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1412.259747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.259747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.259747 (E_RNA) where: Base-Base interactions energy: -905.440 where: short stacking energy: -405.740 Base-Backbone interact. energy: -0.456 local terms energy: -506.364007 where: bonds (distance) C4'-P energy: -110.280 bonds (distance) P-C4' energy: -92.676 flat angles C4'-P-C4' energy: -114.991 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: -112.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -797.488936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.488936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.488936 (E_RNA) where: Base-Base interactions energy: -394.142 where: short stacking energy: -237.858 Base-Backbone interact. energy: 0.840 local terms energy: -404.187049 where: bonds (distance) C4'-P energy: -110.842 bonds (distance) P-C4' energy: -112.476 flat angles C4'-P-C4' energy: -98.937 flat angles P-C4'-P energy: -66.390 tors. eta vs tors. theta energy: -15.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -812.482050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.482050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.482050 (E_RNA) where: Base-Base interactions energy: -431.594 where: short stacking energy: -227.751 Base-Backbone interact. energy: 2.241 local terms energy: -383.129240 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -108.222 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -16.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -528.422985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.422985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.422985 (E_RNA) where: Base-Base interactions energy: -207.281 where: short stacking energy: -153.029 Base-Backbone interact. energy: -3.719 local terms energy: -317.422654 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -97.309 flat angles C4'-P-C4' energy: -89.535 flat angles P-C4'-P energy: -55.265 tors. eta vs tors. theta energy: 21.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2158.821731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.821731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.821731 (E_RNA) where: Base-Base interactions energy: -1488.585 where: short stacking energy: -634.800 Base-Backbone interact. energy: -1.982 local terms energy: -668.255180 where: bonds (distance) C4'-P energy: -120.551 bonds (distance) P-C4' energy: -130.671 flat angles C4'-P-C4' energy: -144.415 flat angles P-C4'-P energy: -93.502 tors. eta vs tors. theta energy: -179.116 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: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2116.819575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.819575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.819575 (E_RNA) where: Base-Base interactions energy: -1433.122 where: short stacking energy: -609.839 Base-Backbone interact. energy: -7.026 local terms energy: -676.671464 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -144.812 flat angles P-C4'-P energy: -106.357 tors. eta vs tors. theta energy: -172.175 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: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2049.818068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.818068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.818068 (E_RNA) where: Base-Base interactions energy: -1398.464 where: short stacking energy: -574.243 Base-Backbone interact. energy: -4.903 local terms energy: -646.450820 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -124.971 flat angles C4'-P-C4' energy: -146.713 flat angles P-C4'-P energy: -94.500 tors. eta vs tors. theta energy: -161.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1875.459237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.459237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.459237 (E_RNA) where: Base-Base interactions energy: -1292.801 where: short stacking energy: -550.895 Base-Backbone interact. energy: -3.636 local terms energy: -579.021669 where: bonds (distance) C4'-P energy: -102.975 bonds (distance) P-C4' energy: -117.720 flat angles C4'-P-C4' energy: -122.603 flat angles P-C4'-P energy: -88.064 tors. eta vs tors. theta energy: -147.660 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: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1829.587551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.587551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.587551 (E_RNA) where: Base-Base interactions energy: -1227.760 where: short stacking energy: -546.201 Base-Backbone interact. energy: 0.300 local terms energy: -602.126586 where: bonds (distance) C4'-P energy: -115.219 bonds (distance) P-C4' energy: -123.184 flat angles C4'-P-C4' energy: -129.343 flat angles P-C4'-P energy: -90.206 tors. eta vs tors. theta energy: -144.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1617.850531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.850531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.850531 (E_RNA) where: Base-Base interactions energy: -1079.712 where: short stacking energy: -461.552 Base-Backbone interact. energy: -2.658 local terms energy: -535.480010 where: bonds (distance) C4'-P energy: -109.328 bonds (distance) P-C4' energy: -87.367 flat angles C4'-P-C4' energy: -127.486 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -138.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1408.641038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.641038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.641038 (E_RNA) where: Base-Base interactions energy: -941.092 where: short stacking energy: -407.565 Base-Backbone interact. energy: -0.628 local terms energy: -466.921871 where: bonds (distance) C4'-P energy: -104.318 bonds (distance) P-C4' energy: -80.853 flat angles C4'-P-C4' energy: -106.401 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: -108.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -773.149994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.149994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.149994 (E_RNA) where: Base-Base interactions energy: -395.604 where: short stacking energy: -234.479 Base-Backbone interact. energy: -0.213 local terms energy: -377.333028 where: bonds (distance) C4'-P energy: -99.316 bonds (distance) P-C4' energy: -96.386 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -60.298 tors. eta vs tors. theta energy: -18.947 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: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -783.816956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.816956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.816956 (E_RNA) where: Base-Base interactions energy: -425.528 where: short stacking energy: -230.724 Base-Backbone interact. energy: 0.449 local terms energy: -358.738065 where: bonds (distance) C4'-P energy: -95.532 bonds (distance) P-C4' energy: -107.570 flat angles C4'-P-C4' energy: -98.235 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -8.583 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: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -513.310041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.310041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.310041 (E_RNA) where: Base-Base interactions energy: -212.841 where: short stacking energy: -141.884 Base-Backbone interact. energy: -2.601 local terms energy: -297.868153 where: bonds (distance) C4'-P energy: -96.842 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: 33.577 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: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2147.890677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.890677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.890677 (E_RNA) where: Base-Base interactions energy: -1465.020 where: short stacking energy: -615.652 Base-Backbone interact. energy: -3.805 local terms energy: -679.065622 where: bonds (distance) C4'-P energy: -144.159 bonds (distance) P-C4' energy: -130.803 flat angles C4'-P-C4' energy: -144.273 flat angles P-C4'-P energy: -83.734 tors. eta vs tors. theta energy: -176.097 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: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2093.935075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.935075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.935075 (E_RNA) where: Base-Base interactions energy: -1437.106 where: short stacking energy: -620.004 Base-Backbone interact. energy: -2.859 local terms energy: -653.969990 where: bonds (distance) C4'-P energy: -117.562 bonds (distance) P-C4' energy: -127.004 flat angles C4'-P-C4' energy: -136.186 flat angles P-C4'-P energy: -90.468 tors. eta vs tors. theta energy: -182.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2009.214287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.214287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.214287 (E_RNA) where: Base-Base interactions energy: -1393.852 where: short stacking energy: -552.886 Base-Backbone interact. energy: -2.074 local terms energy: -613.288488 where: bonds (distance) C4'-P energy: -114.397 bonds (distance) P-C4' energy: -126.455 flat angles C4'-P-C4' energy: -126.275 flat angles P-C4'-P energy: -90.765 tors. eta vs tors. theta energy: -155.396 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: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1899.143224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.143224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.143224 (E_RNA) where: Base-Base interactions energy: -1295.594 where: short stacking energy: -522.769 Base-Backbone interact. energy: -6.434 local terms energy: -597.115863 where: bonds (distance) C4'-P energy: -116.436 bonds (distance) P-C4' energy: -127.788 flat angles C4'-P-C4' energy: -123.076 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -141.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1839.608525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.608525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.608525 (E_RNA) where: Base-Base interactions energy: -1262.920 where: short stacking energy: -548.926 Base-Backbone interact. energy: -2.616 local terms energy: -574.072349 where: bonds (distance) C4'-P energy: -106.645 bonds (distance) P-C4' energy: -107.315 flat angles C4'-P-C4' energy: -128.147 flat angles P-C4'-P energy: -81.989 tors. eta vs tors. theta energy: -149.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1530.128077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.128077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.128077 (E_RNA) where: Base-Base interactions energy: -1004.497 where: short stacking energy: -437.590 Base-Backbone interact. energy: -3.179 local terms energy: -522.452061 where: bonds (distance) C4'-P energy: -106.562 bonds (distance) P-C4' energy: -108.504 flat angles C4'-P-C4' energy: -128.260 flat angles P-C4'-P energy: -68.455 tors. eta vs tors. theta energy: -110.671 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: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1364.334427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.334427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.334427 (E_RNA) where: Base-Base interactions energy: -869.547 where: short stacking energy: -389.530 Base-Backbone interact. energy: -3.386 local terms energy: -491.401960 where: bonds (distance) C4'-P energy: -96.673 bonds (distance) P-C4' energy: -94.597 flat angles C4'-P-C4' energy: -122.425 flat angles P-C4'-P energy: -84.780 tors. eta vs tors. theta energy: -92.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -801.726338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.726338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.726338 (E_RNA) where: Base-Base interactions energy: -413.509 where: short stacking energy: -215.438 Base-Backbone interact. energy: -1.178 local terms energy: -387.039603 where: bonds (distance) C4'-P energy: -118.237 bonds (distance) P-C4' energy: -97.917 flat angles C4'-P-C4' energy: -95.166 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -8.801 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: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -785.551664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.551664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.551664 (E_RNA) where: Base-Base interactions energy: -420.022 where: short stacking energy: -200.800 Base-Backbone interact. energy: 0.416 local terms energy: -365.945200 where: bonds (distance) C4'-P energy: -100.461 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -107.338 flat angles P-C4'-P energy: -58.020 tors. eta vs tors. theta energy: -7.933 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: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -485.115469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.115469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.115469 (E_RNA) where: Base-Base interactions energy: -165.380 where: short stacking energy: -130.810 Base-Backbone interact. energy: -0.697 local terms energy: -319.038645 where: bonds (distance) C4'-P energy: -111.284 bonds (distance) P-C4' energy: -91.131 flat angles C4'-P-C4' energy: -86.619 flat angles P-C4'-P energy: -57.483 tors. eta vs tors. theta energy: 27.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2157.651162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.651162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.651162 (E_RNA) where: Base-Base interactions energy: -1485.541 where: short stacking energy: -609.020 Base-Backbone interact. energy: -1.867 local terms energy: -670.242808 where: bonds (distance) C4'-P energy: -131.106 bonds (distance) P-C4' energy: -128.987 flat angles C4'-P-C4' energy: -139.475 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -176.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2121.192559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.192559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.192559 (E_RNA) where: Base-Base interactions energy: -1468.810 where: short stacking energy: -608.823 Base-Backbone interact. energy: 1.837 local terms energy: -654.219687 where: bonds (distance) C4'-P energy: -117.355 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -139.812 flat angles P-C4'-P energy: -94.479 tors. eta vs tors. theta energy: -172.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2031.332603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.332603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.332603 (E_RNA) where: Base-Base interactions energy: -1401.305 where: short stacking energy: -594.548 Base-Backbone interact. energy: -0.333 local terms energy: -629.694184 where: bonds (distance) C4'-P energy: -129.241 bonds (distance) P-C4' energy: -123.831 flat angles C4'-P-C4' energy: -130.280 flat angles P-C4'-P energy: -72.394 tors. eta vs tors. theta energy: -173.948 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: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1901.235136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.235136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.235136 (E_RNA) where: Base-Base interactions energy: -1305.632 where: short stacking energy: -549.881 Base-Backbone interact. energy: -1.245 local terms energy: -594.358824 where: bonds (distance) C4'-P energy: -117.891 bonds (distance) P-C4' energy: -117.085 flat angles C4'-P-C4' energy: -140.465 flat angles P-C4'-P energy: -81.597 tors. eta vs tors. theta energy: -137.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1870.569280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.569280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.569280 (E_RNA) where: Base-Base interactions energy: -1274.677 where: short stacking energy: -537.793 Base-Backbone interact. energy: -0.333 local terms energy: -595.558976 where: bonds (distance) C4'-P energy: -122.621 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -128.512 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: -142.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1645.517467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.517467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.517467 (E_RNA) where: Base-Base interactions energy: -1109.302 where: short stacking energy: -506.524 Base-Backbone interact. energy: -0.498 local terms energy: -535.717275 where: bonds (distance) C4'-P energy: -102.131 bonds (distance) P-C4' energy: -108.181 flat angles C4'-P-C4' energy: -126.126 flat angles P-C4'-P energy: -80.012 tors. eta vs tors. theta energy: -119.267 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: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1333.037598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.037598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.037598 (E_RNA) where: Base-Base interactions energy: -864.678 where: short stacking energy: -379.350 Base-Backbone interact. energy: -3.545 local terms energy: -464.814215 where: bonds (distance) C4'-P energy: -106.173 bonds (distance) P-C4' energy: -109.957 flat angles C4'-P-C4' energy: -111.438 flat angles P-C4'-P energy: -61.242 tors. eta vs tors. theta energy: -76.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -823.910501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.910501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.910501 (E_RNA) where: Base-Base interactions energy: -411.237 where: short stacking energy: -226.007 Base-Backbone interact. energy: 1.674 local terms energy: -414.347793 where: bonds (distance) C4'-P energy: -105.916 bonds (distance) P-C4' energy: -114.848 flat angles C4'-P-C4' energy: -108.058 flat angles P-C4'-P energy: -77.635 tors. eta vs tors. theta energy: -7.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -775.576015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.576015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.576015 (E_RNA) where: Base-Base interactions energy: -390.667 where: short stacking energy: -214.857 Base-Backbone interact. energy: 6.064 local terms energy: -390.973025 where: bonds (distance) C4'-P energy: -114.794 bonds (distance) P-C4' energy: -112.801 flat angles C4'-P-C4' energy: -98.377 flat angles P-C4'-P energy: -54.553 tors. eta vs tors. theta energy: -10.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -500.350409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.350409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.350409 (E_RNA) where: Base-Base interactions energy: -190.832 where: short stacking energy: -127.351 Base-Backbone interact. energy: 9.238 local terms energy: -318.756056 where: bonds (distance) C4'-P energy: -101.438 bonds (distance) P-C4' energy: -116.008 flat angles C4'-P-C4' energy: -93.528 flat angles P-C4'-P energy: -23.765 tors. eta vs tors. theta energy: 15.982 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: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2161.649764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.649764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.649764 (E_RNA) where: Base-Base interactions energy: -1492.137 where: short stacking energy: -618.990 Base-Backbone interact. energy: -3.426 local terms energy: -666.086600 where: bonds (distance) C4'-P energy: -120.094 bonds (distance) P-C4' energy: -128.179 flat angles C4'-P-C4' energy: -141.562 flat angles P-C4'-P energy: -101.440 tors. eta vs tors. theta energy: -174.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2090.384495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.384495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.384495 (E_RNA) where: Base-Base interactions energy: -1429.441 where: short stacking energy: -607.789 Base-Backbone interact. energy: -1.419 local terms energy: -659.524044 where: bonds (distance) C4'-P energy: -111.355 bonds (distance) P-C4' energy: -113.009 flat angles C4'-P-C4' energy: -150.899 flat angles P-C4'-P energy: -98.379 tors. eta vs tors. theta energy: -185.883 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: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2078.757861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.757861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.757861 (E_RNA) where: Base-Base interactions energy: -1457.928 where: short stacking energy: -586.555 Base-Backbone interact. energy: -2.887 local terms energy: -617.943303 where: bonds (distance) C4'-P energy: -91.335 bonds (distance) P-C4' energy: -121.367 flat angles C4'-P-C4' energy: -133.548 flat angles P-C4'-P energy: -96.662 tors. eta vs tors. theta energy: -175.030 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: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1940.023410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.023410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.023410 (E_RNA) where: Base-Base interactions energy: -1344.035 where: short stacking energy: -548.609 Base-Backbone interact. energy: -2.976 local terms energy: -593.011906 where: bonds (distance) C4'-P energy: -117.898 bonds (distance) P-C4' energy: -116.282 flat angles C4'-P-C4' energy: -133.704 flat angles P-C4'-P energy: -81.722 tors. eta vs tors. theta energy: -143.406 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: 240 Temperature: 1.100000 Total energy: -1828.976716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.976716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.976716 (E_RNA) where: Base-Base interactions energy: -1287.085 where: short stacking energy: -545.618 Base-Backbone interact. energy: -1.305 local terms energy: -540.586124 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -105.849 flat angles C4'-P-C4' energy: -109.772 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: -146.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1610.849572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.849572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.849572 (E_RNA) where: Base-Base interactions energy: -1073.197 where: short stacking energy: -470.641 Base-Backbone interact. energy: 0.074 local terms energy: -537.726744 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -107.274 flat angles C4'-P-C4' energy: -114.639 flat angles P-C4'-P energy: -74.453 tors. eta vs tors. theta energy: -126.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1343.558915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.558915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.558915 (E_RNA) where: Base-Base interactions energy: -825.107 where: short stacking energy: -390.247 Base-Backbone interact. energy: -3.977 local terms energy: -514.474963 where: bonds (distance) C4'-P energy: -109.752 bonds (distance) P-C4' energy: -97.684 flat angles C4'-P-C4' energy: -126.233 flat angles P-C4'-P energy: -85.702 tors. eta vs tors. theta energy: -95.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -791.532334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.532334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.532334 (E_RNA) where: Base-Base interactions energy: -383.306 where: short stacking energy: -241.338 Base-Backbone interact. energy: 0.015 local terms energy: -408.240957 where: bonds (distance) C4'-P energy: -103.322 bonds (distance) P-C4' energy: -99.873 flat angles C4'-P-C4' energy: -96.335 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -35.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -805.745663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.745663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.745663 (E_RNA) where: Base-Base interactions energy: -449.263 where: short stacking energy: -248.178 Base-Backbone interact. energy: -4.280 local terms energy: -352.202379 where: bonds (distance) C4'-P energy: -76.919 bonds (distance) P-C4' energy: -110.338 flat angles C4'-P-C4' energy: -76.948 flat angles P-C4'-P energy: -65.158 tors. eta vs tors. theta energy: -22.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -505.700105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.700105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.700105 (E_RNA) where: Base-Base interactions energy: -157.791 where: short stacking energy: -149.640 Base-Backbone interact. energy: -3.275 local terms energy: -344.634407 where: bonds (distance) C4'-P energy: -100.772 bonds (distance) P-C4' energy: -108.019 flat angles C4'-P-C4' energy: -103.760 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: 24.371 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: 241 Temperature: 0.900000 Total energy: -2162.047461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.047461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.047461 (E_RNA) where: Base-Base interactions energy: -1500.896 where: short stacking energy: -609.762 Base-Backbone interact. energy: -0.708 local terms energy: -660.444176 where: bonds (distance) C4'-P energy: -119.237 bonds (distance) P-C4' energy: -126.537 flat angles C4'-P-C4' energy: -150.352 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -167.827 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: 241 Temperature: 0.950000 Total energy: -2143.910822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.910822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.910822 (E_RNA) where: Base-Base interactions energy: -1470.148 where: short stacking energy: -620.853 Base-Backbone interact. energy: -0.430 local terms energy: -673.333504 where: bonds (distance) C4'-P energy: -113.391 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -144.972 flat angles P-C4'-P energy: -92.883 tors. eta vs tors. theta energy: -189.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2052.175845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.175845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.175845 (E_RNA) where: Base-Base interactions energy: -1435.765 where: short stacking energy: -576.289 Base-Backbone interact. energy: -2.283 local terms energy: -614.128268 where: bonds (distance) C4'-P energy: -98.653 bonds (distance) P-C4' energy: -126.309 flat angles C4'-P-C4' energy: -138.371 flat angles P-C4'-P energy: -83.147 tors. eta vs tors. theta energy: -167.647 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: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1889.257030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.257030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.257030 (E_RNA) where: Base-Base interactions energy: -1310.410 where: short stacking energy: -532.458 Base-Backbone interact. energy: 2.811 local terms energy: -581.658814 where: bonds (distance) C4'-P energy: -108.655 bonds (distance) P-C4' energy: -113.169 flat angles C4'-P-C4' energy: -121.863 flat angles P-C4'-P energy: -92.775 tors. eta vs tors. theta energy: -145.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1833.769938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.769938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.769938 (E_RNA) where: Base-Base interactions energy: -1262.060 where: short stacking energy: -518.743 Base-Backbone interact. energy: -1.571 local terms energy: -570.138680 where: bonds (distance) C4'-P energy: -98.815 bonds (distance) P-C4' energy: -115.810 flat angles C4'-P-C4' energy: -125.106 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -139.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1640.271592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.271592 (E_RNA) where: Base-Base interactions energy: -1117.537 where: short stacking energy: -465.219 Base-Backbone interact. energy: -1.782 local terms energy: -520.952024 where: bonds (distance) C4'-P energy: -109.962 bonds (distance) P-C4' energy: -110.070 flat angles C4'-P-C4' energy: -112.142 flat angles P-C4'-P energy: -61.092 tors. eta vs tors. theta energy: -127.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1331.818715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.818715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.818715 (E_RNA) where: Base-Base interactions energy: -862.778 where: short stacking energy: -399.479 Base-Backbone interact. energy: -0.973 local terms energy: -468.067789 where: bonds (distance) C4'-P energy: -98.226 bonds (distance) P-C4' energy: -101.761 flat angles C4'-P-C4' energy: -119.652 flat angles P-C4'-P energy: -60.379 tors. eta vs tors. theta energy: -88.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -791.442031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.442031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.442031 (E_RNA) where: Base-Base interactions energy: -391.851 where: short stacking energy: -218.071 Base-Backbone interact. energy: 0.015 local terms energy: -399.605886 where: bonds (distance) C4'-P energy: -102.723 bonds (distance) P-C4' energy: -104.971 flat angles C4'-P-C4' energy: -110.990 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: -20.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -779.127632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.127632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.127632 (E_RNA) where: Base-Base interactions energy: -409.569 where: short stacking energy: -232.084 Base-Backbone interact. energy: -1.740 local terms energy: -367.818813 where: bonds (distance) C4'-P energy: -101.221 bonds (distance) P-C4' energy: -111.103 flat angles C4'-P-C4' energy: -92.871 flat angles P-C4'-P energy: -52.469 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -493.257388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.257388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.257388 (E_RNA) where: Base-Base interactions energy: -153.520 where: short stacking energy: -136.756 Base-Backbone interact. energy: 2.722 local terms energy: -342.459527 where: bonds (distance) C4'-P energy: -99.643 bonds (distance) P-C4' energy: -124.869 flat angles C4'-P-C4' energy: -89.547 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: 29.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2152.558770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.558770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.558770 (E_RNA) where: Base-Base interactions energy: -1474.379 where: short stacking energy: -622.578 Base-Backbone interact. energy: -4.434 local terms energy: -673.745443 where: bonds (distance) C4'-P energy: -117.471 bonds (distance) P-C4' energy: -126.578 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -95.300 tors. eta vs tors. theta energy: -190.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2101.814901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.814901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.814901 (E_RNA) where: Base-Base interactions energy: -1453.269 where: short stacking energy: -593.201 Base-Backbone interact. energy: -1.223 local terms energy: -647.323256 where: bonds (distance) C4'-P energy: -124.203 bonds (distance) P-C4' energy: -133.187 flat angles C4'-P-C4' energy: -140.045 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -163.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2040.358183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.358183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.358183 (E_RNA) where: Base-Base interactions energy: -1400.580 where: short stacking energy: -588.616 Base-Backbone interact. energy: -1.322 local terms energy: -638.455690 where: bonds (distance) C4'-P energy: -128.425 bonds (distance) P-C4' energy: -122.012 flat angles C4'-P-C4' energy: -135.455 flat angles P-C4'-P energy: -85.741 tors. eta vs tors. theta energy: -166.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1865.017300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.017300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.017300 (E_RNA) where: Base-Base interactions energy: -1291.364 where: short stacking energy: -507.421 Base-Backbone interact. energy: 0.793 local terms energy: -574.446753 where: bonds (distance) C4'-P energy: -104.889 bonds (distance) P-C4' energy: -120.821 flat angles C4'-P-C4' energy: -131.495 flat angles P-C4'-P energy: -86.412 tors. eta vs tors. theta energy: -130.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1820.383661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.383661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.383661 (E_RNA) where: Base-Base interactions energy: -1236.027 where: short stacking energy: -517.580 Base-Backbone interact. energy: -1.355 local terms energy: -583.000879 where: bonds (distance) C4'-P energy: -105.539 bonds (distance) P-C4' energy: -127.811 flat angles C4'-P-C4' energy: -134.934 flat angles P-C4'-P energy: -67.800 tors. eta vs tors. theta energy: -146.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1595.641489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.641489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.641489 (E_RNA) where: Base-Base interactions energy: -1075.231 where: short stacking energy: -449.807 Base-Backbone interact. energy: 0.379 local terms energy: -520.789452 where: bonds (distance) C4'-P energy: -90.833 bonds (distance) P-C4' energy: -110.117 flat angles C4'-P-C4' energy: -127.757 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -116.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1366.691724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.691724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.691724 (E_RNA) where: Base-Base interactions energy: -840.003 where: short stacking energy: -415.751 Base-Backbone interact. energy: -0.654 local terms energy: -526.034579 where: bonds (distance) C4'-P energy: -105.951 bonds (distance) P-C4' energy: -126.846 flat angles C4'-P-C4' energy: -120.048 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -106.478 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: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -797.723640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.723640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.723640 (E_RNA) where: Base-Base interactions energy: -427.984 where: short stacking energy: -236.955 Base-Backbone interact. energy: -1.721 local terms energy: -368.019230 where: bonds (distance) C4'-P energy: -98.212 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -97.662 flat angles P-C4'-P energy: -46.155 tors. eta vs tors. theta energy: -15.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -733.035501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.035501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.035501 (E_RNA) where: Base-Base interactions energy: -373.797 where: short stacking energy: -195.207 Base-Backbone interact. energy: -2.749 local terms energy: -356.489342 where: bonds (distance) C4'-P energy: -105.936 bonds (distance) P-C4' energy: -104.374 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -489.356485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.356485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.356485 (E_RNA) where: Base-Base interactions energy: -193.126 where: short stacking energy: -150.221 Base-Backbone interact. energy: -4.965 local terms energy: -291.265582 where: bonds (distance) C4'-P energy: -103.585 bonds (distance) P-C4' energy: -102.597 flat angles C4'-P-C4' energy: -73.087 flat angles P-C4'-P energy: -36.993 tors. eta vs tors. theta energy: 24.996 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: 243 Temperature: 0.900000 Total energy: -2159.877901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.877901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.877901 (E_RNA) where: Base-Base interactions energy: -1490.507 where: short stacking energy: -611.891 Base-Backbone interact. energy: -6.779 local terms energy: -662.592130 where: bonds (distance) C4'-P energy: -125.709 bonds (distance) P-C4' energy: -126.462 flat angles C4'-P-C4' energy: -129.844 flat angles P-C4'-P energy: -89.412 tors. eta vs tors. theta energy: -191.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2081.882239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.882239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.882239 (E_RNA) where: Base-Base interactions energy: -1454.375 where: short stacking energy: -612.726 Base-Backbone interact. energy: -4.104 local terms energy: -623.404003 where: bonds (distance) C4'-P energy: -119.847 bonds (distance) P-C4' energy: -121.887 flat angles C4'-P-C4' energy: -124.230 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -178.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2051.986154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.986154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.986154 (E_RNA) where: Base-Base interactions energy: -1442.614 where: short stacking energy: -577.927 Base-Backbone interact. energy: -3.733 local terms energy: -605.639306 where: bonds (distance) C4'-P energy: -122.493 bonds (distance) P-C4' energy: -97.117 flat angles C4'-P-C4' energy: -140.643 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -166.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1917.500230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.500230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.500230 (E_RNA) where: Base-Base interactions energy: -1318.462 where: short stacking energy: -536.079 Base-Backbone interact. energy: -4.122 local terms energy: -594.915468 where: bonds (distance) C4'-P energy: -116.240 bonds (distance) P-C4' energy: -122.783 flat angles C4'-P-C4' energy: -135.600 flat angles P-C4'-P energy: -73.604 tors. eta vs tors. theta energy: -146.690 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: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1791.946718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.946718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.946718 (E_RNA) where: Base-Base interactions energy: -1250.026 where: short stacking energy: -535.708 Base-Backbone interact. energy: -3.559 local terms energy: -538.362234 where: bonds (distance) C4'-P energy: -99.363 bonds (distance) P-C4' energy: -108.009 flat angles C4'-P-C4' energy: -123.674 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -137.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1564.061847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.061847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.061847 (E_RNA) where: Base-Base interactions energy: -1029.007 where: short stacking energy: -440.647 Base-Backbone interact. energy: -1.801 local terms energy: -533.254010 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -106.948 flat angles C4'-P-C4' energy: -135.432 flat angles P-C4'-P energy: -85.412 tors. eta vs tors. theta energy: -108.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1334.051397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.051397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.051397 (E_RNA) where: Base-Base interactions energy: -836.198 where: short stacking energy: -411.288 Base-Backbone interact. energy: 1.463 local terms energy: -499.316346 where: bonds (distance) C4'-P energy: -106.618 bonds (distance) P-C4' energy: -110.776 flat angles C4'-P-C4' energy: -122.139 flat angles P-C4'-P energy: -69.080 tors. eta vs tors. theta energy: -90.703 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: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -820.189277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.189277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.189277 (E_RNA) where: Base-Base interactions energy: -433.304 where: short stacking energy: -250.614 Base-Backbone interact. energy: 2.745 local terms energy: -389.630464 where: bonds (distance) C4'-P energy: -95.073 bonds (distance) P-C4' energy: -113.032 flat angles C4'-P-C4' energy: -104.003 flat angles P-C4'-P energy: -61.281 tors. eta vs tors. theta energy: -16.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -719.865557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.865557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.865557 (E_RNA) where: Base-Base interactions energy: -343.418 where: short stacking energy: -208.248 Base-Backbone interact. energy: 2.094 local terms energy: -378.541332 where: bonds (distance) C4'-P energy: -113.743 bonds (distance) P-C4' energy: -105.303 flat angles C4'-P-C4' energy: -84.558 flat angles P-C4'-P energy: -60.985 tors. eta vs tors. theta energy: -13.953 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: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -498.681334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.681334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.681334 (E_RNA) where: Base-Base interactions energy: -176.486 where: short stacking energy: -132.829 Base-Backbone interact. energy: -0.073 local terms energy: -322.122408 where: bonds (distance) C4'-P energy: -106.556 bonds (distance) P-C4' energy: -115.068 flat angles C4'-P-C4' energy: -83.094 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: 26.567 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: 244 Temperature: 0.900000 Total energy: -2181.130274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.130274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.130274 (E_RNA) where: Base-Base interactions energy: -1506.505 where: short stacking energy: -640.514 Base-Backbone interact. energy: -3.795 local terms energy: -670.830368 where: bonds (distance) C4'-P energy: -117.988 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -148.074 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -183.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2100.386600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.386600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.386600 (E_RNA) where: Base-Base interactions energy: -1445.921 where: short stacking energy: -584.745 Base-Backbone interact. energy: -0.472 local terms energy: -653.993910 where: bonds (distance) C4'-P energy: -112.230 bonds (distance) P-C4' energy: -129.793 flat angles C4'-P-C4' energy: -145.440 flat angles P-C4'-P energy: -90.953 tors. eta vs tors. theta energy: -175.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2012.579814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.579814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.579814 (E_RNA) where: Base-Base interactions energy: -1390.103 where: short stacking energy: -541.658 Base-Backbone interact. energy: -1.312 local terms energy: -621.164626 where: bonds (distance) C4'-P energy: -117.886 bonds (distance) P-C4' energy: -126.819 flat angles C4'-P-C4' energy: -134.172 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -163.956 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: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1951.732272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.732272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.732272 (E_RNA) where: Base-Base interactions energy: -1370.685 where: short stacking energy: -551.344 Base-Backbone interact. energy: -2.064 local terms energy: -578.983639 where: bonds (distance) C4'-P energy: -112.411 bonds (distance) P-C4' energy: -126.026 flat angles C4'-P-C4' energy: -120.951 flat angles P-C4'-P energy: -82.767 tors. eta vs tors. theta energy: -136.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1811.782997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.782997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.782997 (E_RNA) where: Base-Base interactions energy: -1260.517 where: short stacking energy: -529.219 Base-Backbone interact. energy: -2.691 local terms energy: -548.574937 where: bonds (distance) C4'-P energy: -111.905 bonds (distance) P-C4' energy: -111.593 flat angles C4'-P-C4' energy: -109.152 flat angles P-C4'-P energy: -69.194 tors. eta vs tors. theta energy: -146.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1452.037519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.037519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.037519 (E_RNA) where: Base-Base interactions energy: -966.762 where: short stacking energy: -400.428 Base-Backbone interact. energy: -1.953 local terms energy: -483.322064 where: bonds (distance) C4'-P energy: -91.948 bonds (distance) P-C4' energy: -121.324 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -79.272 tors. eta vs tors. theta energy: -80.922 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: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1365.240680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.240680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.240680 (E_RNA) where: Base-Base interactions energy: -865.001 where: short stacking energy: -395.858 Base-Backbone interact. energy: 0.588 local terms energy: -500.827715 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -115.134 flat angles C4'-P-C4' energy: -112.223 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -87.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -813.153226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.153226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.153226 (E_RNA) where: Base-Base interactions energy: -436.678 where: short stacking energy: -237.091 Base-Backbone interact. energy: -2.561 local terms energy: -373.914676 where: bonds (distance) C4'-P energy: -100.246 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -81.189 flat angles P-C4'-P energy: -71.124 tors. eta vs tors. theta energy: -11.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -785.482681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.482681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.482681 (E_RNA) where: Base-Base interactions energy: -420.084 where: short stacking energy: -251.313 Base-Backbone interact. energy: -2.189 local terms energy: -363.209425 where: bonds (distance) C4'-P energy: -105.098 bonds (distance) P-C4' energy: -98.366 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: -12.526 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: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -501.209743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.209743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.209743 (E_RNA) where: Base-Base interactions energy: -170.225 where: short stacking energy: -143.184 Base-Backbone interact. energy: 5.068 local terms energy: -336.052552 where: bonds (distance) C4'-P energy: -102.537 bonds (distance) P-C4' energy: -111.508 flat angles C4'-P-C4' energy: -100.378 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: 17.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2206.445162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.445162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.445162 (E_RNA) where: Base-Base interactions energy: -1508.549 where: short stacking energy: -634.980 Base-Backbone interact. energy: -4.156 local terms energy: -693.740307 where: bonds (distance) C4'-P energy: -124.460 bonds (distance) P-C4' energy: -138.253 flat angles C4'-P-C4' energy: -150.084 flat angles P-C4'-P energy: -93.809 tors. eta vs tors. theta energy: -187.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2124.191473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.191473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.191473 (E_RNA) where: Base-Base interactions energy: -1456.850 where: short stacking energy: -620.365 Base-Backbone interact. energy: -2.801 local terms energy: -664.540684 where: bonds (distance) C4'-P energy: -118.176 bonds (distance) P-C4' energy: -127.869 flat angles C4'-P-C4' energy: -145.873 flat angles P-C4'-P energy: -90.293 tors. eta vs tors. theta energy: -182.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2000.559440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.559440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.559440 (E_RNA) where: Base-Base interactions energy: -1364.115 where: short stacking energy: -564.956 Base-Backbone interact. energy: -4.282 local terms energy: -632.162109 where: bonds (distance) C4'-P energy: -127.721 bonds (distance) P-C4' energy: -117.063 flat angles C4'-P-C4' energy: -133.774 flat angles P-C4'-P energy: -91.961 tors. eta vs tors. theta energy: -161.642 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: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1931.808957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.808957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.808957 (E_RNA) where: Base-Base interactions energy: -1359.004 where: short stacking energy: -549.074 Base-Backbone interact. energy: -1.048 local terms energy: -571.757551 where: bonds (distance) C4'-P energy: -114.657 bonds (distance) P-C4' energy: -113.514 flat angles C4'-P-C4' energy: -123.720 flat angles P-C4'-P energy: -79.092 tors. eta vs tors. theta energy: -140.774 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: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1865.523685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.523685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.523685 (E_RNA) where: Base-Base interactions energy: -1263.810 where: short stacking energy: -536.065 Base-Backbone interact. energy: -1.285 local terms energy: -600.428263 where: bonds (distance) C4'-P energy: -109.349 bonds (distance) P-C4' energy: -126.729 flat angles C4'-P-C4' energy: -136.741 flat angles P-C4'-P energy: -82.775 tors. eta vs tors. theta energy: -144.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1339.908109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.908109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.908109 (E_RNA) where: Base-Base interactions energy: -847.243 where: short stacking energy: -377.985 Base-Backbone interact. energy: 2.447 local terms energy: -495.111470 where: bonds (distance) C4'-P energy: -125.550 bonds (distance) P-C4' energy: -119.020 flat angles C4'-P-C4' energy: -120.240 flat angles P-C4'-P energy: -76.678 tors. eta vs tors. theta energy: -53.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1378.943061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.943061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.943061 (E_RNA) where: Base-Base interactions energy: -868.419 where: short stacking energy: -408.914 Base-Backbone interact. energy: -0.412 local terms energy: -510.112117 where: bonds (distance) C4'-P energy: -108.608 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -100.604 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -97.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -848.162989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.162989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.162989 (E_RNA) where: Base-Base interactions energy: -472.411 where: short stacking energy: -247.516 Base-Backbone interact. energy: -2.248 local terms energy: -373.503963 where: bonds (distance) C4'-P energy: -87.929 bonds (distance) P-C4' energy: -105.007 flat angles C4'-P-C4' energy: -97.307 flat angles P-C4'-P energy: -63.187 tors. eta vs tors. theta energy: -20.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -806.883619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.883619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.883619 (E_RNA) where: Base-Base interactions energy: -448.202 where: short stacking energy: -241.814 Base-Backbone interact. energy: 2.153 local terms energy: -360.834525 where: bonds (distance) C4'-P energy: -84.532 bonds (distance) P-C4' energy: -100.906 flat angles C4'-P-C4' energy: -100.030 flat angles P-C4'-P energy: -53.859 tors. eta vs tors. theta energy: -21.508 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: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -504.794425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.794425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.794425 (E_RNA) where: Base-Base interactions energy: -167.972 where: short stacking energy: -149.686 Base-Backbone interact. energy: 0.203 local terms energy: -337.025362 where: bonds (distance) C4'-P energy: -100.908 bonds (distance) P-C4' energy: -107.689 flat angles C4'-P-C4' energy: -87.632 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -2.045 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: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2207.623880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.623880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.623880 (E_RNA) where: Base-Base interactions energy: -1498.511 where: short stacking energy: -637.644 Base-Backbone interact. energy: -2.399 local terms energy: -706.713615 where: bonds (distance) C4'-P energy: -131.179 bonds (distance) P-C4' energy: -122.246 flat angles C4'-P-C4' energy: -149.436 flat angles P-C4'-P energy: -105.495 tors. eta vs tors. theta energy: -198.358 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: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2102.821341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.821341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.821341 (E_RNA) where: Base-Base interactions energy: -1440.579 where: short stacking energy: -591.966 Base-Backbone interact. energy: -3.389 local terms energy: -658.853503 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -128.617 flat angles C4'-P-C4' energy: -143.075 flat angles P-C4'-P energy: -86.540 tors. eta vs tors. theta energy: -181.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2034.361608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.361608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.361608 (E_RNA) where: Base-Base interactions energy: -1403.433 where: short stacking energy: -576.729 Base-Backbone interact. energy: -5.599 local terms energy: -625.329065 where: bonds (distance) C4'-P energy: -118.345 bonds (distance) P-C4' energy: -121.836 flat angles C4'-P-C4' energy: -132.239 flat angles P-C4'-P energy: -85.506 tors. eta vs tors. theta energy: -167.403 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: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1919.537946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.537946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.537946 (E_RNA) where: Base-Base interactions energy: -1354.214 where: short stacking energy: -541.608 Base-Backbone interact. energy: 6.876 local terms energy: -572.200300 where: bonds (distance) C4'-P energy: -115.720 bonds (distance) P-C4' energy: -110.738 flat angles C4'-P-C4' energy: -112.029 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -148.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1849.644951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.644951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.644951 (E_RNA) where: Base-Base interactions energy: -1277.309 where: short stacking energy: -557.435 Base-Backbone interact. energy: 4.027 local terms energy: -576.362948 where: bonds (distance) C4'-P energy: -97.619 bonds (distance) P-C4' energy: -120.600 flat angles C4'-P-C4' energy: -126.831 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -156.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1370.504589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.504589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.504589 (E_RNA) where: Base-Base interactions energy: -861.996 where: short stacking energy: -390.884 Base-Backbone interact. energy: -4.407 local terms energy: -504.101692 where: bonds (distance) C4'-P energy: -115.221 bonds (distance) P-C4' energy: -110.497 flat angles C4'-P-C4' energy: -116.697 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -69.370 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: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1375.921003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.921003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.921003 (E_RNA) where: Base-Base interactions energy: -895.483 where: short stacking energy: -404.728 Base-Backbone interact. energy: 1.801 local terms energy: -482.239571 where: bonds (distance) C4'-P energy: -92.713 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -125.966 flat angles P-C4'-P energy: -61.212 tors. eta vs tors. theta energy: -87.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -869.679851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.679851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.679851 (E_RNA) where: Base-Base interactions energy: -469.605 where: short stacking energy: -279.240 Base-Backbone interact. energy: 0.516 local terms energy: -400.590328 where: bonds (distance) C4'-P energy: -113.647 bonds (distance) P-C4' energy: -107.328 flat angles C4'-P-C4' energy: -89.792 flat angles P-C4'-P energy: -60.418 tors. eta vs tors. theta energy: -29.406 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: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -807.961633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.961633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.961633 (E_RNA) where: Base-Base interactions energy: -422.437 where: short stacking energy: -221.511 Base-Backbone interact. energy: 0.626 local terms energy: -386.151128 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -120.142 flat angles C4'-P-C4' energy: -88.103 flat angles P-C4'-P energy: -57.593 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -510.672390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.672390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.672390 (E_RNA) where: Base-Base interactions energy: -223.684 where: short stacking energy: -152.000 Base-Backbone interact. energy: -0.734 local terms energy: -286.254033 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -92.823 flat angles C4'-P-C4' energy: -86.868 flat angles P-C4'-P energy: -32.257 tors. eta vs tors. theta energy: 17.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2188.533399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.533399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.533399 (E_RNA) where: Base-Base interactions energy: -1516.540 where: short stacking energy: -639.655 Base-Backbone interact. energy: 3.757 local terms energy: -675.750049 where: bonds (distance) C4'-P energy: -118.258 bonds (distance) P-C4' energy: -127.998 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -192.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2122.659573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.659573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.659573 (E_RNA) where: Base-Base interactions energy: -1465.302 where: short stacking energy: -600.407 Base-Backbone interact. energy: -0.233 local terms energy: -657.124634 where: bonds (distance) C4'-P energy: -123.027 bonds (distance) P-C4' energy: -126.481 flat angles C4'-P-C4' energy: -137.992 flat angles P-C4'-P energy: -94.371 tors. eta vs tors. theta energy: -175.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2002.706953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.706953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.706953 (E_RNA) where: Base-Base interactions energy: -1410.278 where: short stacking energy: -589.060 Base-Backbone interact. energy: -2.235 local terms energy: -590.193833 where: bonds (distance) C4'-P energy: -104.510 bonds (distance) P-C4' energy: -115.862 flat angles C4'-P-C4' energy: -129.960 flat angles P-C4'-P energy: -82.060 tors. eta vs tors. theta energy: -157.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1935.526605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.526605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.526605 (E_RNA) where: Base-Base interactions energy: -1358.094 where: short stacking energy: -557.586 Base-Backbone interact. energy: 0.070 local terms energy: -577.502397 where: bonds (distance) C4'-P energy: -98.666 bonds (distance) P-C4' energy: -125.498 flat angles C4'-P-C4' energy: -127.863 flat angles P-C4'-P energy: -84.794 tors. eta vs tors. theta energy: -140.682 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: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1817.692527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.692527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.692527 (E_RNA) where: Base-Base interactions energy: -1246.929 where: short stacking energy: -531.384 Base-Backbone interact. energy: -1.248 local terms energy: -569.515690 where: bonds (distance) C4'-P energy: -100.948 bonds (distance) P-C4' energy: -108.023 flat angles C4'-P-C4' energy: -135.601 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -141.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1473.639897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.639897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.639897 (E_RNA) where: Base-Base interactions energy: -971.953 where: short stacking energy: -428.301 Base-Backbone interact. energy: -3.822 local terms energy: -497.864945 where: bonds (distance) C4'-P energy: -87.436 bonds (distance) P-C4' energy: -113.442 flat angles C4'-P-C4' energy: -120.544 flat angles P-C4'-P energy: -81.829 tors. eta vs tors. theta energy: -94.613 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: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1310.199230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.199230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.199230 (E_RNA) where: Base-Base interactions energy: -873.448 where: short stacking energy: -369.493 Base-Backbone interact. energy: -0.995 local terms energy: -435.756319 where: bonds (distance) C4'-P energy: -106.993 bonds (distance) P-C4' energy: -99.762 flat angles C4'-P-C4' energy: -101.785 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -70.182 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: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -904.249270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.249270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.249270 (E_RNA) where: Base-Base interactions energy: -475.260 where: short stacking energy: -289.538 Base-Backbone interact. energy: -0.464 local terms energy: -428.524770 where: bonds (distance) C4'-P energy: -121.574 bonds (distance) P-C4' energy: -105.378 flat angles C4'-P-C4' energy: -96.949 flat angles P-C4'-P energy: -72.083 tors. eta vs tors. theta energy: -32.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -815.156494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.156494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.156494 (E_RNA) where: Base-Base interactions energy: -441.341 where: short stacking energy: -247.206 Base-Backbone interact. energy: 9.765 local terms energy: -383.580862 where: bonds (distance) C4'-P energy: -93.004 bonds (distance) P-C4' energy: -115.821 flat angles C4'-P-C4' energy: -105.743 flat angles P-C4'-P energy: -62.042 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -528.737345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.737345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.737345 (E_RNA) where: Base-Base interactions energy: -178.608 where: short stacking energy: -150.671 Base-Backbone interact. energy: 3.664 local terms energy: -353.793430 where: bonds (distance) C4'-P energy: -100.046 bonds (distance) P-C4' energy: -116.213 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -71.630 tors. eta vs tors. theta energy: 16.752 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: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2205.418283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.418283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.418283 (E_RNA) where: Base-Base interactions energy: -1512.005 where: short stacking energy: -619.910 Base-Backbone interact. energy: -0.254 local terms energy: -693.159866 where: bonds (distance) C4'-P energy: -122.963 bonds (distance) P-C4' energy: -129.963 flat angles C4'-P-C4' energy: -147.662 flat angles P-C4'-P energy: -102.325 tors. eta vs tors. theta energy: -190.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2117.890807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.890807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.890807 (E_RNA) where: Base-Base interactions energy: -1474.744 where: short stacking energy: -610.727 Base-Backbone interact. energy: -1.391 local terms energy: -641.756421 where: bonds (distance) C4'-P energy: -122.224 bonds (distance) P-C4' energy: -107.117 flat angles C4'-P-C4' energy: -136.750 flat angles P-C4'-P energy: -96.944 tors. eta vs tors. theta energy: -178.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1974.058351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.058351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.058351 (E_RNA) where: Base-Base interactions energy: -1334.244 where: short stacking energy: -561.819 Base-Backbone interact. energy: -2.914 local terms energy: -636.899989 where: bonds (distance) C4'-P energy: -115.696 bonds (distance) P-C4' energy: -135.434 flat angles C4'-P-C4' energy: -137.494 flat angles P-C4'-P energy: -87.154 tors. eta vs tors. theta energy: -161.121 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: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1951.111363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.111363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.111363 (E_RNA) where: Base-Base interactions energy: -1345.171 where: short stacking energy: -515.750 Base-Backbone interact. energy: -4.531 local terms energy: -601.408831 where: bonds (distance) C4'-P energy: -118.280 bonds (distance) P-C4' energy: -116.241 flat angles C4'-P-C4' energy: -138.950 flat angles P-C4'-P energy: -81.131 tors. eta vs tors. theta energy: -146.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1854.856521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.856521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.856521 (E_RNA) where: Base-Base interactions energy: -1269.215 where: short stacking energy: -535.724 Base-Backbone interact. energy: -3.344 local terms energy: -582.297986 where: bonds (distance) C4'-P energy: -112.226 bonds (distance) P-C4' energy: -128.669 flat angles C4'-P-C4' energy: -115.854 flat angles P-C4'-P energy: -81.726 tors. eta vs tors. theta energy: -143.823 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: 248 Temperature: 1.150000 Total energy: -1548.142452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.142452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.142452 (E_RNA) where: Base-Base interactions energy: -1016.119 where: short stacking energy: -429.020 Base-Backbone interact. energy: -2.698 local terms energy: -529.325723 where: bonds (distance) C4'-P energy: -103.610 bonds (distance) P-C4' energy: -125.523 flat angles C4'-P-C4' energy: -111.112 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -111.017 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: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1343.473388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.473388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.473388 (E_RNA) where: Base-Base interactions energy: -874.608 where: short stacking energy: -402.008 Base-Backbone interact. energy: 4.904 local terms energy: -473.769529 where: bonds (distance) C4'-P energy: -102.288 bonds (distance) P-C4' energy: -109.094 flat angles C4'-P-C4' energy: -119.812 flat angles P-C4'-P energy: -50.150 tors. eta vs tors. theta energy: -92.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -891.316557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.316557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.316557 (E_RNA) where: Base-Base interactions energy: -489.538 where: short stacking energy: -255.446 Base-Backbone interact. energy: -3.255 local terms energy: -398.523327 where: bonds (distance) C4'-P energy: -114.460 bonds (distance) P-C4' energy: -99.367 flat angles C4'-P-C4' energy: -116.431 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -20.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -711.066688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.066688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.066688 (E_RNA) where: Base-Base interactions energy: -360.576 where: short stacking energy: -194.155 Base-Backbone interact. energy: 1.259 local terms energy: -351.750168 where: bonds (distance) C4'-P energy: -122.837 bonds (distance) P-C4' energy: -92.985 flat angles C4'-P-C4' energy: -88.127 flat angles P-C4'-P energy: -44.877 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -509.772850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.772850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.772850 (E_RNA) where: Base-Base interactions energy: -190.566 where: short stacking energy: -130.745 Base-Backbone interact. energy: -0.288 local terms energy: -318.918802 where: bonds (distance) C4'-P energy: -105.878 bonds (distance) P-C4' energy: -99.772 flat angles C4'-P-C4' energy: -88.831 flat angles P-C4'-P energy: -41.698 tors. eta vs tors. theta energy: 17.261 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: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2213.300431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.300431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.300431 (E_RNA) where: Base-Base interactions energy: -1537.934 where: short stacking energy: -629.002 Base-Backbone interact. energy: 1.748 local terms energy: -677.114792 where: bonds (distance) C4'-P energy: -135.463 bonds (distance) P-C4' energy: -121.478 flat angles C4'-P-C4' energy: -147.696 flat angles P-C4'-P energy: -90.238 tors. eta vs tors. theta energy: -182.238 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: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2129.446453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.446453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.446453 (E_RNA) where: Base-Base interactions energy: -1470.304 where: short stacking energy: -619.061 Base-Backbone interact. energy: -3.085 local terms energy: -656.057163 where: bonds (distance) C4'-P energy: -125.262 bonds (distance) P-C4' energy: -121.835 flat angles C4'-P-C4' energy: -135.228 flat angles P-C4'-P energy: -91.437 tors. eta vs tors. theta energy: -182.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2003.543077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.543077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.543077 (E_RNA) where: Base-Base interactions energy: -1359.954 where: short stacking energy: -562.652 Base-Backbone interact. energy: -5.443 local terms energy: -638.146647 where: bonds (distance) C4'-P energy: -122.024 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -137.934 flat angles P-C4'-P energy: -91.786 tors. eta vs tors. theta energy: -161.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1951.682043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.682043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.682043 (E_RNA) where: Base-Base interactions energy: -1344.675 where: short stacking energy: -554.409 Base-Backbone interact. energy: -0.448 local terms energy: -606.559038 where: bonds (distance) C4'-P energy: -100.693 bonds (distance) P-C4' energy: -122.010 flat angles C4'-P-C4' energy: -130.806 flat angles P-C4'-P energy: -99.892 tors. eta vs tors. theta energy: -153.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1852.241405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.241405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.241405 (E_RNA) where: Base-Base interactions energy: -1242.244 where: short stacking energy: -513.693 Base-Backbone interact. energy: 2.189 local terms energy: -612.186463 where: bonds (distance) C4'-P energy: -118.384 bonds (distance) P-C4' energy: -132.094 flat angles C4'-P-C4' energy: -128.853 flat angles P-C4'-P energy: -76.019 tors. eta vs tors. theta energy: -156.837 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: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1505.854353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.854353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.854353 (E_RNA) where: Base-Base interactions energy: -986.930 where: short stacking energy: -459.496 Base-Backbone interact. energy: -1.270 local terms energy: -517.654469 where: bonds (distance) C4'-P energy: -100.063 bonds (distance) P-C4' energy: -115.770 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -84.813 tors. eta vs tors. theta energy: -104.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1262.157236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.157236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.157236 (E_RNA) where: Base-Base interactions energy: -817.150 where: short stacking energy: -351.515 Base-Backbone interact. energy: -4.409 local terms energy: -440.598274 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -104.907 flat angles C4'-P-C4' energy: -96.587 flat angles P-C4'-P energy: -71.845 tors. eta vs tors. theta energy: -64.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -860.097640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.097640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.097640 (E_RNA) where: Base-Base interactions energy: -477.239 where: short stacking energy: -263.461 Base-Backbone interact. energy: 1.578 local terms energy: -384.436434 where: bonds (distance) C4'-P energy: -104.765 bonds (distance) P-C4' energy: -101.150 flat angles C4'-P-C4' energy: -94.512 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -21.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -735.935556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.935556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.935556 (E_RNA) where: Base-Base interactions energy: -379.602 where: short stacking energy: -220.905 Base-Backbone interact. energy: 4.599 local terms energy: -360.932581 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -101.053 flat angles C4'-P-C4' energy: -97.315 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -10.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -546.191900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.191900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.191900 (E_RNA) where: Base-Base interactions energy: -243.198 where: short stacking energy: -158.650 Base-Backbone interact. energy: -0.767 local terms energy: -302.226822 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -97.969 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -48.758 tors. eta vs tors. theta energy: 21.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2190.648536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.648536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.648536 (E_RNA) where: Base-Base interactions energy: -1529.335 where: short stacking energy: -632.758 Base-Backbone interact. energy: -3.833 local terms energy: -657.481383 where: bonds (distance) C4'-P energy: -116.064 bonds (distance) P-C4' energy: -123.493 flat angles C4'-P-C4' energy: -141.302 flat angles P-C4'-P energy: -98.401 tors. eta vs tors. theta energy: -178.222 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: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2075.960585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.960585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.960585 (E_RNA) where: Base-Base interactions energy: -1440.357 where: short stacking energy: -590.863 Base-Backbone interact. energy: -2.263 local terms energy: -633.340711 where: bonds (distance) C4'-P energy: -125.911 bonds (distance) P-C4' energy: -118.275 flat angles C4'-P-C4' energy: -126.771 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -174.359 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: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1996.572114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.572114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.572114 (E_RNA) where: Base-Base interactions energy: -1384.089 where: short stacking energy: -571.052 Base-Backbone interact. energy: 1.056 local terms energy: -613.538493 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -131.490 flat angles P-C4'-P energy: -80.242 tors. eta vs tors. theta energy: -163.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1966.772965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.772965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.772965 (E_RNA) where: Base-Base interactions energy: -1351.861 where: short stacking energy: -552.980 Base-Backbone interact. energy: -2.698 local terms energy: -612.214877 where: bonds (distance) C4'-P energy: -115.125 bonds (distance) P-C4' energy: -126.442 flat angles C4'-P-C4' energy: -133.498 flat angles P-C4'-P energy: -89.319 tors. eta vs tors. theta energy: -147.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1868.209158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.209158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.209158 (E_RNA) where: Base-Base interactions energy: -1256.687 where: short stacking energy: -531.157 Base-Backbone interact. energy: -1.710 local terms energy: -609.812165 where: bonds (distance) C4'-P energy: -123.142 bonds (distance) P-C4' energy: -117.400 flat angles C4'-P-C4' energy: -136.818 flat angles P-C4'-P energy: -84.180 tors. eta vs tors. theta energy: -148.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1474.517429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.517429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.517429 (E_RNA) where: Base-Base interactions energy: -957.238 where: short stacking energy: -424.967 Base-Backbone interact. energy: -2.527 local terms energy: -514.751497 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -114.414 flat angles C4'-P-C4' energy: -105.538 flat angles P-C4'-P energy: -89.008 tors. eta vs tors. theta energy: -88.414 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1232.802249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.802249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.802249 (E_RNA) where: Base-Base interactions energy: -777.820 where: short stacking energy: -328.354 Base-Backbone interact. energy: 2.600 local terms energy: -457.582022 where: bonds (distance) C4'-P energy: -96.996 bonds (distance) P-C4' energy: -107.609 flat angles C4'-P-C4' energy: -112.770 flat angles P-C4'-P energy: -70.225 tors. eta vs tors. theta energy: -69.982 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: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -845.567155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.567155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.567155 (E_RNA) where: Base-Base interactions energy: -474.303 where: short stacking energy: -264.472 Base-Backbone interact. energy: 1.386 local terms energy: -372.650570 where: bonds (distance) C4'-P energy: -101.061 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -95.682 flat angles P-C4'-P energy: -56.548 tors. eta vs tors. theta energy: -30.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -669.737828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.737828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.737828 (E_RNA) where: Base-Base interactions energy: -317.191 where: short stacking energy: -185.817 Base-Backbone interact. energy: 5.364 local terms energy: -357.910617 where: bonds (distance) C4'-P energy: -100.226 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -52.466 tors. eta vs tors. theta energy: 13.965 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: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -503.785261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.785261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.785261 (E_RNA) where: Base-Base interactions energy: -160.414 where: short stacking energy: -126.259 Base-Backbone interact. energy: -2.289 local terms energy: -341.082480 where: bonds (distance) C4'-P energy: -111.395 bonds (distance) P-C4' energy: -111.701 flat angles C4'-P-C4' energy: -100.403 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: 31.475 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: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2192.869392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.869392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.869392 (E_RNA) where: Base-Base interactions energy: -1510.296 where: short stacking energy: -651.914 Base-Backbone interact. energy: -0.315 local terms energy: -682.258896 where: bonds (distance) C4'-P energy: -130.084 bonds (distance) P-C4' energy: -127.050 flat angles C4'-P-C4' energy: -137.473 flat angles P-C4'-P energy: -99.624 tors. eta vs tors. theta energy: -188.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2099.373689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.373689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.373689 (E_RNA) where: Base-Base interactions energy: -1447.497 where: short stacking energy: -599.497 Base-Backbone interact. energy: 1.656 local terms energy: -653.532202 where: bonds (distance) C4'-P energy: -124.343 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -139.477 flat angles P-C4'-P energy: -95.330 tors. eta vs tors. theta energy: -179.158 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: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1983.448716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.448716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.448716 (E_RNA) where: Base-Base interactions energy: -1381.135 where: short stacking energy: -571.412 Base-Backbone interact. energy: -3.553 local terms energy: -598.760172 where: bonds (distance) C4'-P energy: -97.971 bonds (distance) P-C4' energy: -113.613 flat angles C4'-P-C4' energy: -130.031 flat angles P-C4'-P energy: -85.805 tors. eta vs tors. theta energy: -171.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1960.787128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.787128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.787128 (E_RNA) where: Base-Base interactions energy: -1340.419 where: short stacking energy: -569.342 Base-Backbone interact. energy: -4.758 local terms energy: -615.609692 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -120.796 flat angles C4'-P-C4' energy: -130.608 flat angles P-C4'-P energy: -96.233 tors. eta vs tors. theta energy: -151.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1856.848914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.848914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.848914 (E_RNA) where: Base-Base interactions energy: -1248.377 where: short stacking energy: -548.244 Base-Backbone interact. energy: -0.259 local terms energy: -608.213703 where: bonds (distance) C4'-P energy: -112.639 bonds (distance) P-C4' energy: -115.230 flat angles C4'-P-C4' energy: -137.474 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: -157.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1507.573217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.573217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.573217 (E_RNA) where: Base-Base interactions energy: -1005.052 where: short stacking energy: -422.932 Base-Backbone interact. energy: -1.638 local terms energy: -500.884092 where: bonds (distance) C4'-P energy: -94.923 bonds (distance) P-C4' energy: -130.814 flat angles C4'-P-C4' energy: -105.144 flat angles P-C4'-P energy: -77.836 tors. eta vs tors. theta energy: -92.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1265.042120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.042120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.042120 (E_RNA) where: Base-Base interactions energy: -794.727 where: short stacking energy: -347.080 Base-Backbone interact. energy: -0.248 local terms energy: -470.066419 where: bonds (distance) C4'-P energy: -93.157 bonds (distance) P-C4' energy: -120.954 flat angles C4'-P-C4' energy: -113.868 flat angles P-C4'-P energy: -57.724 tors. eta vs tors. theta energy: -84.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -812.126822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.126822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.126822 (E_RNA) where: Base-Base interactions energy: -401.554 where: short stacking energy: -218.401 Base-Backbone interact. energy: -4.293 local terms energy: -406.279283 where: bonds (distance) C4'-P energy: -115.133 bonds (distance) P-C4' energy: -98.687 flat angles C4'-P-C4' energy: -116.040 flat angles P-C4'-P energy: -67.048 tors. eta vs tors. theta energy: -9.371 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: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -675.619425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.619425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.619425 (E_RNA) where: Base-Base interactions energy: -334.924 where: short stacking energy: -211.442 Base-Backbone interact. energy: -0.822 local terms energy: -339.873980 where: bonds (distance) C4'-P energy: -106.047 bonds (distance) P-C4' energy: -125.374 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: 6.358 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: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -507.031217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.031217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.031217 (E_RNA) where: Base-Base interactions energy: -189.656 where: short stacking energy: -131.558 Base-Backbone interact. energy: -0.334 local terms energy: -317.041228 where: bonds (distance) C4'-P energy: -107.148 bonds (distance) P-C4' energy: -104.877 flat angles C4'-P-C4' energy: -74.560 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: 24.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2191.765907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.765907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.765907 (E_RNA) where: Base-Base interactions energy: -1533.311 where: short stacking energy: -635.062 Base-Backbone interact. energy: -4.931 local terms energy: -653.524261 where: bonds (distance) C4'-P energy: -111.245 bonds (distance) P-C4' energy: -128.051 flat angles C4'-P-C4' energy: -147.216 flat angles P-C4'-P energy: -83.618 tors. eta vs tors. theta energy: -183.394 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: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2063.960950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.960950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.960950 (E_RNA) where: Base-Base interactions energy: -1423.013 where: short stacking energy: -615.360 Base-Backbone interact. energy: -7.122 local terms energy: -633.825620 where: bonds (distance) C4'-P energy: -113.701 bonds (distance) P-C4' energy: -123.108 flat angles C4'-P-C4' energy: -139.855 flat angles P-C4'-P energy: -79.578 tors. eta vs tors. theta energy: -177.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2043.062914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.062914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.062914 (E_RNA) where: Base-Base interactions energy: -1411.253 where: short stacking energy: -572.222 Base-Backbone interact. energy: 1.808 local terms energy: -633.617158 where: bonds (distance) C4'-P energy: -118.654 bonds (distance) P-C4' energy: -114.500 flat angles C4'-P-C4' energy: -141.949 flat angles P-C4'-P energy: -95.431 tors. eta vs tors. theta energy: -163.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1945.147586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.147586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.147586 (E_RNA) where: Base-Base interactions energy: -1307.921 where: short stacking energy: -579.895 Base-Backbone interact. energy: 0.937 local terms energy: -638.164384 where: bonds (distance) C4'-P energy: -124.601 bonds (distance) P-C4' energy: -116.931 flat angles C4'-P-C4' energy: -128.334 flat angles P-C4'-P energy: -97.521 tors. eta vs tors. theta energy: -170.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1865.394416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.394416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.394416 (E_RNA) where: Base-Base interactions energy: -1286.827 where: short stacking energy: -525.295 Base-Backbone interact. energy: -1.938 local terms energy: -576.629945 where: bonds (distance) C4'-P energy: -117.124 bonds (distance) P-C4' energy: -114.217 flat angles C4'-P-C4' energy: -127.566 flat angles P-C4'-P energy: -74.158 tors. eta vs tors. theta energy: -143.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1501.083567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.083567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.083567 (E_RNA) where: Base-Base interactions energy: -988.085 where: short stacking energy: -441.717 Base-Backbone interact. energy: 2.312 local terms energy: -515.310140 where: bonds (distance) C4'-P energy: -103.996 bonds (distance) P-C4' energy: -95.091 flat angles C4'-P-C4' energy: -126.288 flat angles P-C4'-P energy: -72.525 tors. eta vs tors. theta energy: -117.409 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: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1240.651267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.651267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.651267 (E_RNA) where: Base-Base interactions energy: -787.645 where: short stacking energy: -360.156 Base-Backbone interact. energy: -4.889 local terms energy: -448.116854 where: bonds (distance) C4'-P energy: -113.792 bonds (distance) P-C4' energy: -109.770 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -68.630 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: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -858.637611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.637611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.637611 (E_RNA) where: Base-Base interactions energy: -474.419 where: short stacking energy: -253.598 Base-Backbone interact. energy: 4.263 local terms energy: -388.481853 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -107.373 flat angles C4'-P-C4' energy: -93.940 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: -20.017 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: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -733.270863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.270863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.270863 (E_RNA) where: Base-Base interactions energy: -392.987 where: short stacking energy: -235.563 Base-Backbone interact. energy: -2.614 local terms energy: -337.669298 where: bonds (distance) C4'-P energy: -101.328 bonds (distance) P-C4' energy: -101.156 flat angles C4'-P-C4' energy: -93.207 flat angles P-C4'-P energy: -32.114 tors. eta vs tors. theta energy: -9.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -534.271454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.271454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.271454 (E_RNA) where: Base-Base interactions energy: -221.468 where: short stacking energy: -152.244 Base-Backbone interact. energy: 10.885 local terms energy: -323.689086 where: bonds (distance) C4'-P energy: -106.158 bonds (distance) P-C4' energy: -115.766 flat angles C4'-P-C4' energy: -85.642 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: 28.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2190.385566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.385566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.385566 (E_RNA) where: Base-Base interactions energy: -1515.744 where: short stacking energy: -631.796 Base-Backbone interact. energy: -1.279 local terms energy: -673.362758 where: bonds (distance) C4'-P energy: -113.461 bonds (distance) P-C4' energy: -134.079 flat angles C4'-P-C4' energy: -129.421 flat angles P-C4'-P energy: -110.996 tors. eta vs tors. theta energy: -185.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2086.722223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.722223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.722223 (E_RNA) where: Base-Base interactions energy: -1437.946 where: short stacking energy: -612.524 Base-Backbone interact. energy: -3.193 local terms energy: -645.583035 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -122.724 flat angles C4'-P-C4' energy: -129.714 flat angles P-C4'-P energy: -93.250 tors. eta vs tors. theta energy: -177.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2039.367529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.367529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.367529 (E_RNA) where: Base-Base interactions energy: -1406.449 where: short stacking energy: -600.479 Base-Backbone interact. energy: -5.758 local terms energy: -627.159800 where: bonds (distance) C4'-P energy: -112.255 bonds (distance) P-C4' energy: -124.578 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -164.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1934.262010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.262010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.262010 (E_RNA) where: Base-Base interactions energy: -1299.712 where: short stacking energy: -550.568 Base-Backbone interact. energy: -2.472 local terms energy: -632.077898 where: bonds (distance) C4'-P energy: -122.354 bonds (distance) P-C4' energy: -108.096 flat angles C4'-P-C4' energy: -138.234 flat angles P-C4'-P energy: -102.902 tors. eta vs tors. theta energy: -160.493 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: 253 Temperature: 1.100000 Total energy: -1813.250274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.250274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.250274 (E_RNA) where: Base-Base interactions energy: -1233.514 where: short stacking energy: -523.471 Base-Backbone interact. energy: -1.665 local terms energy: -578.071597 where: bonds (distance) C4'-P energy: -103.053 bonds (distance) P-C4' energy: -109.478 flat angles C4'-P-C4' energy: -120.286 flat angles P-C4'-P energy: -92.286 tors. eta vs tors. theta energy: -152.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1497.509615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.509615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.509615 (E_RNA) where: Base-Base interactions energy: -963.699 where: short stacking energy: -419.161 Base-Backbone interact. energy: -2.593 local terms energy: -531.218082 where: bonds (distance) C4'-P energy: -115.499 bonds (distance) P-C4' energy: -124.725 flat angles C4'-P-C4' energy: -102.846 flat angles P-C4'-P energy: -87.746 tors. eta vs tors. theta energy: -100.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1219.212795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.212795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.212795 (E_RNA) where: Base-Base interactions energy: -740.619 where: short stacking energy: -332.653 Base-Backbone interact. energy: 5.019 local terms energy: -483.613356 where: bonds (distance) C4'-P energy: -103.490 bonds (distance) P-C4' energy: -115.214 flat angles C4'-P-C4' energy: -103.887 flat angles P-C4'-P energy: -75.480 tors. eta vs tors. theta energy: -85.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -814.327490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.327490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.327490 (E_RNA) where: Base-Base interactions energy: -426.870 where: short stacking energy: -247.725 Base-Backbone interact. energy: -0.105 local terms energy: -387.352178 where: bonds (distance) C4'-P energy: -105.769 bonds (distance) P-C4' energy: -112.470 flat angles C4'-P-C4' energy: -92.559 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -13.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -697.120374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.120374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.120374 (E_RNA) where: Base-Base interactions energy: -339.913 where: short stacking energy: -197.233 Base-Backbone interact. energy: -0.205 local terms energy: -357.002498 where: bonds (distance) C4'-P energy: -109.482 bonds (distance) P-C4' energy: -98.542 flat angles C4'-P-C4' energy: -93.315 flat angles P-C4'-P energy: -52.468 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -523.280962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.280962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.280962 (E_RNA) where: Base-Base interactions energy: -184.006 where: short stacking energy: -132.107 Base-Backbone interact. energy: -0.957 local terms energy: -338.318174 where: bonds (distance) C4'-P energy: -99.876 bonds (distance) P-C4' energy: -108.262 flat angles C4'-P-C4' energy: -86.640 flat angles P-C4'-P energy: -50.409 tors. eta vs tors. theta energy: 6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2209.771481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.771481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.771481 (E_RNA) where: Base-Base interactions energy: -1539.659 where: short stacking energy: -632.459 Base-Backbone interact. energy: -1.968 local terms energy: -668.144246 where: bonds (distance) C4'-P energy: -118.747 bonds (distance) P-C4' energy: -125.639 flat angles C4'-P-C4' energy: -137.134 flat angles P-C4'-P energy: -97.903 tors. eta vs tors. theta energy: -188.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2119.992573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.992573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.992573 (E_RNA) where: Base-Base interactions energy: -1423.051 where: short stacking energy: -604.429 Base-Backbone interact. energy: -5.197 local terms energy: -691.744222 where: bonds (distance) C4'-P energy: -130.741 bonds (distance) P-C4' energy: -130.407 flat angles C4'-P-C4' energy: -147.498 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -181.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2009.526725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.526725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.526725 (E_RNA) where: Base-Base interactions energy: -1401.422 where: short stacking energy: -582.796 Base-Backbone interact. energy: -0.176 local terms energy: -607.929134 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -134.684 flat angles P-C4'-P energy: -80.801 tors. eta vs tors. theta energy: -153.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1925.365112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.365112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.365112 (E_RNA) where: Base-Base interactions energy: -1324.290 where: short stacking energy: -561.091 Base-Backbone interact. energy: -3.101 local terms energy: -597.973611 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -107.984 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -78.236 tors. eta vs tors. theta energy: -159.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1804.824648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.824648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.824648 (E_RNA) where: Base-Base interactions energy: -1232.358 where: short stacking energy: -503.651 Base-Backbone interact. energy: 0.654 local terms energy: -573.120707 where: bonds (distance) C4'-P energy: -114.460 bonds (distance) P-C4' energy: -116.022 flat angles C4'-P-C4' energy: -114.041 flat angles P-C4'-P energy: -86.862 tors. eta vs tors. theta energy: -141.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1483.630857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.630857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.630857 (E_RNA) where: Base-Base interactions energy: -958.676 where: short stacking energy: -448.953 Base-Backbone interact. energy: -1.815 local terms energy: -523.139675 where: bonds (distance) C4'-P energy: -112.885 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -116.991 flat angles P-C4'-P energy: -65.673 tors. eta vs tors. theta energy: -117.021 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1148.941316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.941316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.941316 (E_RNA) where: Base-Base interactions energy: -681.207 where: short stacking energy: -312.336 Base-Backbone interact. energy: -2.242 local terms energy: -465.492775 where: bonds (distance) C4'-P energy: -103.513 bonds (distance) P-C4' energy: -121.510 flat angles C4'-P-C4' energy: -100.082 flat angles P-C4'-P energy: -72.816 tors. eta vs tors. theta energy: -67.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -775.567064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.567064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.567064 (E_RNA) where: Base-Base interactions energy: -358.506 where: short stacking energy: -224.775 Base-Backbone interact. energy: -2.322 local terms energy: -414.739340 where: bonds (distance) C4'-P energy: -118.891 bonds (distance) P-C4' energy: -111.493 flat angles C4'-P-C4' energy: -102.651 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -27.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -730.181236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.181236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.181236 (E_RNA) where: Base-Base interactions energy: -384.657 where: short stacking energy: -215.992 Base-Backbone interact. energy: 2.835 local terms energy: -348.359262 where: bonds (distance) C4'-P energy: -107.166 bonds (distance) P-C4' energy: -98.706 flat angles C4'-P-C4' energy: -100.550 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: 1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -527.957267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.957267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.957267 (E_RNA) where: Base-Base interactions energy: -192.254 where: short stacking energy: -167.599 Base-Backbone interact. energy: 1.939 local terms energy: -337.643099 where: bonds (distance) C4'-P energy: -87.507 bonds (distance) P-C4' energy: -104.208 flat angles C4'-P-C4' energy: -92.417 flat angles P-C4'-P energy: -60.967 tors. eta vs tors. theta energy: 7.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2198.184394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.184394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.184394 (E_RNA) where: Base-Base interactions energy: -1504.074 where: short stacking energy: -623.091 Base-Backbone interact. energy: -3.214 local terms energy: -690.896205 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -126.279 flat angles C4'-P-C4' energy: -152.527 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -188.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2095.619350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.619350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.619350 (E_RNA) where: Base-Base interactions energy: -1417.746 where: short stacking energy: -619.182 Base-Backbone interact. energy: -3.992 local terms energy: -673.880963 where: bonds (distance) C4'-P energy: -124.001 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -140.571 flat angles P-C4'-P energy: -96.178 tors. eta vs tors. theta energy: -188.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2044.313515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.313515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.313515 (E_RNA) where: Base-Base interactions energy: -1403.314 where: short stacking energy: -565.256 Base-Backbone interact. energy: 0.620 local terms energy: -641.619403 where: bonds (distance) C4'-P energy: -133.435 bonds (distance) P-C4' energy: -122.885 flat angles C4'-P-C4' energy: -137.095 flat angles P-C4'-P energy: -86.209 tors. eta vs tors. theta energy: -161.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1921.972291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.972291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.972291 (E_RNA) where: Base-Base interactions energy: -1323.393 where: short stacking energy: -549.594 Base-Backbone interact. energy: -2.385 local terms energy: -596.194015 where: bonds (distance) C4'-P energy: -103.659 bonds (distance) P-C4' energy: -113.390 flat angles C4'-P-C4' energy: -132.552 flat angles P-C4'-P energy: -90.329 tors. eta vs tors. theta energy: -156.265 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: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1803.131117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.131117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.131117 (E_RNA) where: Base-Base interactions energy: -1229.613 where: short stacking energy: -525.112 Base-Backbone interact. energy: -7.068 local terms energy: -566.450112 where: bonds (distance) C4'-P energy: -103.953 bonds (distance) P-C4' energy: -109.460 flat angles C4'-P-C4' energy: -126.952 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -145.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1545.010009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.010009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.010009 (E_RNA) where: Base-Base interactions energy: -1015.689 where: short stacking energy: -466.054 Base-Backbone interact. energy: -1.866 local terms energy: -527.454861 where: bonds (distance) C4'-P energy: -108.920 bonds (distance) P-C4' energy: -109.553 flat angles C4'-P-C4' energy: -119.618 flat angles P-C4'-P energy: -74.688 tors. eta vs tors. theta energy: -114.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1173.665142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.665142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.665142 (E_RNA) where: Base-Base interactions energy: -710.416 where: short stacking energy: -346.592 Base-Backbone interact. energy: -2.299 local terms energy: -460.950620 where: bonds (distance) C4'-P energy: -103.086 bonds (distance) P-C4' energy: -120.502 flat angles C4'-P-C4' energy: -96.889 flat angles P-C4'-P energy: -70.661 tors. eta vs tors. theta energy: -69.813 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: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -780.252919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.252919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.252919 (E_RNA) where: Base-Base interactions energy: -391.118 where: short stacking energy: -229.465 Base-Backbone interact. energy: 5.052 local terms energy: -394.187374 where: bonds (distance) C4'-P energy: -125.217 bonds (distance) P-C4' energy: -107.246 flat angles C4'-P-C4' energy: -99.909 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: -7.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -643.489059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.489059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.489059 (E_RNA) where: Base-Base interactions energy: -321.076 where: short stacking energy: -211.526 Base-Backbone interact. energy: -3.116 local terms energy: -319.296743 where: bonds (distance) C4'-P energy: -85.916 bonds (distance) P-C4' energy: -104.926 flat angles C4'-P-C4' energy: -103.387 flat angles P-C4'-P energy: -27.758 tors. eta vs tors. theta energy: 2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -519.154157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.154157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.154157 (E_RNA) where: Base-Base interactions energy: -168.893 where: short stacking energy: -144.639 Base-Backbone interact. energy: -1.407 local terms energy: -348.853955 where: bonds (distance) C4'-P energy: -106.630 bonds (distance) P-C4' energy: -120.218 flat angles C4'-P-C4' energy: -88.099 flat angles P-C4'-P energy: -56.075 tors. eta vs tors. theta energy: 22.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2231.223187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.223187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.223187 (E_RNA) where: Base-Base interactions energy: -1553.013 where: short stacking energy: -666.583 Base-Backbone interact. energy: -2.384 local terms energy: -675.826920 where: bonds (distance) C4'-P energy: -111.516 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -138.096 flat angles P-C4'-P energy: -99.350 tors. eta vs tors. theta energy: -191.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2136.048486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.048486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.048486 (E_RNA) where: Base-Base interactions energy: -1476.506 where: short stacking energy: -621.746 Base-Backbone interact. energy: -0.415 local terms energy: -659.128384 where: bonds (distance) C4'-P energy: -108.345 bonds (distance) P-C4' energy: -127.328 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -90.222 tors. eta vs tors. theta energy: -184.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2016.103730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.103730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.103730 (E_RNA) where: Base-Base interactions energy: -1399.789 where: short stacking energy: -575.275 Base-Backbone interact. energy: -3.015 local terms energy: -613.299326 where: bonds (distance) C4'-P energy: -106.136 bonds (distance) P-C4' energy: -127.888 flat angles C4'-P-C4' energy: -131.056 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -150.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1910.800348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.800348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.800348 (E_RNA) where: Base-Base interactions energy: -1321.427 where: short stacking energy: -572.451 Base-Backbone interact. energy: 1.386 local terms energy: -590.759636 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -131.313 flat angles P-C4'-P energy: -74.573 tors. eta vs tors. theta energy: -153.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1785.382928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.382928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.382928 (E_RNA) where: Base-Base interactions energy: -1265.793 where: short stacking energy: -507.124 Base-Backbone interact. energy: 1.034 local terms energy: -520.623849 where: bonds (distance) C4'-P energy: -95.032 bonds (distance) P-C4' energy: -115.827 flat angles C4'-P-C4' energy: -105.565 flat angles P-C4'-P energy: -66.946 tors. eta vs tors. theta energy: -137.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1594.755156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.755156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.755156 (E_RNA) where: Base-Base interactions energy: -1057.728 where: short stacking energy: -480.108 Base-Backbone interact. energy: 1.770 local terms energy: -538.797337 where: bonds (distance) C4'-P energy: -94.121 bonds (distance) P-C4' energy: -112.073 flat angles C4'-P-C4' energy: -113.592 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -140.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1152.418932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.418932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.418932 (E_RNA) where: Base-Base interactions energy: -686.365 where: short stacking energy: -371.076 Base-Backbone interact. energy: 1.993 local terms energy: -468.047248 where: bonds (distance) C4'-P energy: -103.456 bonds (distance) P-C4' energy: -121.095 flat angles C4'-P-C4' energy: -129.466 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -52.255 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: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -747.973803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.973803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.973803 (E_RNA) where: Base-Base interactions energy: -374.928 where: short stacking energy: -224.495 Base-Backbone interact. energy: -1.638 local terms energy: -371.407285 where: bonds (distance) C4'-P energy: -102.987 bonds (distance) P-C4' energy: -114.293 flat angles C4'-P-C4' energy: -92.510 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -13.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -558.034607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.034607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.034607 (E_RNA) where: Base-Base interactions energy: -238.578 where: short stacking energy: -150.702 Base-Backbone interact. energy: 5.236 local terms energy: -324.691643 where: bonds (distance) C4'-P energy: -105.243 bonds (distance) P-C4' energy: -104.422 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -44.600 tors. eta vs tors. theta energy: 21.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -513.714563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.714563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.714563 (E_RNA) where: Base-Base interactions energy: -169.958 where: short stacking energy: -151.191 Base-Backbone interact. energy: 1.444 local terms energy: -345.199970 where: bonds (distance) C4'-P energy: -109.149 bonds (distance) P-C4' energy: -109.363 flat angles C4'-P-C4' energy: -89.930 flat angles P-C4'-P energy: -38.433 tors. eta vs tors. theta energy: 1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2223.786478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.786478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.786478 (E_RNA) where: Base-Base interactions energy: -1534.199 where: short stacking energy: -638.985 Base-Backbone interact. energy: -4.254 local terms energy: -685.333694 where: bonds (distance) C4'-P energy: -128.428 bonds (distance) P-C4' energy: -120.937 flat angles C4'-P-C4' energy: -140.707 flat angles P-C4'-P energy: -98.630 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: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2146.031238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.031238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.031238 (E_RNA) where: Base-Base interactions energy: -1462.460 where: short stacking energy: -610.297 Base-Backbone interact. energy: -4.965 local terms energy: -678.605668 where: bonds (distance) C4'-P energy: -135.682 bonds (distance) P-C4' energy: -105.962 flat angles C4'-P-C4' energy: -155.285 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -189.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2006.095567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.095567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.095567 (E_RNA) where: Base-Base interactions energy: -1383.197 where: short stacking energy: -551.395 Base-Backbone interact. energy: -5.078 local terms energy: -617.820354 where: bonds (distance) C4'-P energy: -125.508 bonds (distance) P-C4' energy: -114.365 flat angles C4'-P-C4' energy: -132.021 flat angles P-C4'-P energy: -94.643 tors. eta vs tors. theta energy: -151.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1914.808303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.808303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.808303 (E_RNA) where: Base-Base interactions energy: -1303.503 where: short stacking energy: -570.320 Base-Backbone interact. energy: -2.876 local terms energy: -608.429816 where: bonds (distance) C4'-P energy: -121.616 bonds (distance) P-C4' energy: -118.045 flat angles C4'-P-C4' energy: -120.340 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -160.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1824.564478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.564478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.564478 (E_RNA) where: Base-Base interactions energy: -1281.373 where: short stacking energy: -523.872 Base-Backbone interact. energy: -2.594 local terms energy: -540.597843 where: bonds (distance) C4'-P energy: -103.900 bonds (distance) P-C4' energy: -122.127 flat angles C4'-P-C4' energy: -114.703 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: -126.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1529.614945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.614945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.614945 (E_RNA) where: Base-Base interactions energy: -995.400 where: short stacking energy: -459.091 Base-Backbone interact. energy: -1.578 local terms energy: -532.636792 where: bonds (distance) C4'-P energy: -104.668 bonds (distance) P-C4' energy: -110.221 flat angles C4'-P-C4' energy: -118.790 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -124.022 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: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1056.738624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.738624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.738624 (E_RNA) where: Base-Base interactions energy: -599.190 where: short stacking energy: -313.688 Base-Backbone interact. energy: 6.478 local terms energy: -464.026396 where: bonds (distance) C4'-P energy: -121.941 bonds (distance) P-C4' energy: -118.196 flat angles C4'-P-C4' energy: -117.813 flat angles P-C4'-P energy: -63.661 tors. eta vs tors. theta energy: -42.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -739.985808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.985808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.985808 (E_RNA) where: Base-Base interactions energy: -376.388 where: short stacking energy: -204.769 Base-Backbone interact. energy: -1.036 local terms energy: -362.562404 where: bonds (distance) C4'-P energy: -98.521 bonds (distance) P-C4' energy: -99.425 flat angles C4'-P-C4' energy: -106.718 flat angles P-C4'-P energy: -48.009 tors. eta vs tors. theta energy: -9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -577.843196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.843196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.843196 (E_RNA) where: Base-Base interactions energy: -241.560 where: short stacking energy: -165.567 Base-Backbone interact. energy: 3.884 local terms energy: -340.167485 where: bonds (distance) C4'-P energy: -108.734 bonds (distance) P-C4' energy: -108.155 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -60.247 tors. eta vs tors. theta energy: 7.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -502.315797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.315797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.315797 (E_RNA) where: Base-Base interactions energy: -169.575 where: short stacking energy: -140.930 Base-Backbone interact. energy: -0.619 local terms energy: -332.121769 where: bonds (distance) C4'-P energy: -99.864 bonds (distance) P-C4' energy: -124.421 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -58.745 tors. eta vs tors. theta energy: 37.752 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: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2198.116031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.116031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.116031 (E_RNA) where: Base-Base interactions energy: -1529.506 where: short stacking energy: -629.402 Base-Backbone interact. energy: -1.274 local terms energy: -667.336413 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -121.034 flat angles C4'-P-C4' energy: -138.530 flat angles P-C4'-P energy: -108.060 tors. eta vs tors. theta energy: -188.345 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: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2147.293451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.293451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.293451 (E_RNA) where: Base-Base interactions energy: -1478.844 where: short stacking energy: -627.220 Base-Backbone interact. energy: -0.575 local terms energy: -667.874721 where: bonds (distance) C4'-P energy: -111.252 bonds (distance) P-C4' energy: -124.275 flat angles C4'-P-C4' energy: -144.907 flat angles P-C4'-P energy: -89.888 tors. eta vs tors. theta energy: -197.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2029.925372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.925372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.925372 (E_RNA) where: Base-Base interactions energy: -1400.466 where: short stacking energy: -575.305 Base-Backbone interact. energy: -8.161 local terms energy: -621.298816 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -126.563 flat angles C4'-P-C4' energy: -136.896 flat angles P-C4'-P energy: -90.305 tors. eta vs tors. theta energy: -160.186 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: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1902.315156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.315156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.315156 (E_RNA) where: Base-Base interactions energy: -1277.541 where: short stacking energy: -538.935 Base-Backbone interact. energy: -4.414 local terms energy: -620.360409 where: bonds (distance) C4'-P energy: -119.987 bonds (distance) P-C4' energy: -126.384 flat angles C4'-P-C4' energy: -143.830 flat angles P-C4'-P energy: -78.267 tors. eta vs tors. theta energy: -151.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1830.140412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.140412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.140412 (E_RNA) where: Base-Base interactions energy: -1242.367 where: short stacking energy: -508.946 Base-Backbone interact. energy: -1.776 local terms energy: -585.997662 where: bonds (distance) C4'-P energy: -113.068 bonds (distance) P-C4' energy: -135.102 flat angles C4'-P-C4' energy: -125.968 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: -148.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1555.019249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.019249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.019249 (E_RNA) where: Base-Base interactions energy: -1041.299 where: short stacking energy: -473.954 Base-Backbone interact. energy: 2.623 local terms energy: -516.342929 where: bonds (distance) C4'-P energy: -105.041 bonds (distance) P-C4' energy: -113.753 flat angles C4'-P-C4' energy: -117.749 flat angles P-C4'-P energy: -73.468 tors. eta vs tors. theta energy: -106.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1117.698319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.698319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.698319 (E_RNA) where: Base-Base interactions energy: -672.992 where: short stacking energy: -306.842 Base-Backbone interact. energy: 1.289 local terms energy: -445.995260 where: bonds (distance) C4'-P energy: -108.114 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -119.144 flat angles P-C4'-P energy: -72.396 tors. eta vs tors. theta energy: -53.354 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: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -791.330342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.330342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.330342 (E_RNA) where: Base-Base interactions energy: -399.956 where: short stacking energy: -248.461 Base-Backbone interact. energy: 3.932 local terms energy: -395.306069 where: bonds (distance) C4'-P energy: -94.675 bonds (distance) P-C4' energy: -114.669 flat angles C4'-P-C4' energy: -90.418 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: -31.263 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: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -569.020742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.020742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.020742 (E_RNA) where: Base-Base interactions energy: -217.180 where: short stacking energy: -159.167 Base-Backbone interact. energy: 1.631 local terms energy: -353.471097 where: bonds (distance) C4'-P energy: -98.472 bonds (distance) P-C4' energy: -115.855 flat angles C4'-P-C4' energy: -95.619 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: 13.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -512.207836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.207836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.207836 (E_RNA) where: Base-Base interactions energy: -198.171 where: short stacking energy: -139.443 Base-Backbone interact. energy: 0.722 local terms energy: -314.759408 where: bonds (distance) C4'-P energy: -105.491 bonds (distance) P-C4' energy: -110.090 flat angles C4'-P-C4' energy: -79.184 flat angles P-C4'-P energy: -48.517 tors. eta vs tors. theta energy: 28.523 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: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2214.833404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.833404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.833404 (E_RNA) where: Base-Base interactions energy: -1536.655 where: short stacking energy: -638.651 Base-Backbone interact. energy: -1.190 local terms energy: -676.988144 where: bonds (distance) C4'-P energy: -129.095 bonds (distance) P-C4' energy: -109.962 flat angles C4'-P-C4' energy: -151.245 flat angles P-C4'-P energy: -87.737 tors. eta vs tors. theta energy: -198.949 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: 259 Temperature: 0.950000 Total energy: -2124.346094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.346094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.346094 (E_RNA) where: Base-Base interactions energy: -1479.952 where: short stacking energy: -610.926 Base-Backbone interact. energy: -1.043 local terms energy: -643.350993 where: bonds (distance) C4'-P energy: -101.676 bonds (distance) P-C4' energy: -119.492 flat angles C4'-P-C4' energy: -137.182 flat angles P-C4'-P energy: -104.636 tors. eta vs tors. theta energy: -180.366 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: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2058.419091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.419091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.419091 (E_RNA) where: Base-Base interactions energy: -1457.695 where: short stacking energy: -602.715 Base-Backbone interact. energy: 3.857 local terms energy: -604.581003 where: bonds (distance) C4'-P energy: -108.378 bonds (distance) P-C4' energy: -120.968 flat angles C4'-P-C4' energy: -124.908 flat angles P-C4'-P energy: -83.386 tors. eta vs tors. theta energy: -166.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1897.466016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.466016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.466016 (E_RNA) where: Base-Base interactions energy: -1300.857 where: short stacking energy: -559.094 Base-Backbone interact. energy: 6.634 local terms energy: -603.243131 where: bonds (distance) C4'-P energy: -120.548 bonds (distance) P-C4' energy: -119.035 flat angles C4'-P-C4' energy: -128.416 flat angles P-C4'-P energy: -77.338 tors. eta vs tors. theta energy: -157.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1870.720204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.720204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.720204 (E_RNA) where: Base-Base interactions energy: -1298.356 where: short stacking energy: -532.696 Base-Backbone interact. energy: -3.528 local terms energy: -568.835968 where: bonds (distance) C4'-P energy: -103.053 bonds (distance) P-C4' energy: -109.016 flat angles C4'-P-C4' energy: -120.068 flat angles P-C4'-P energy: -83.869 tors. eta vs tors. theta energy: -152.830 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: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1606.087310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.087310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.087310 (E_RNA) where: Base-Base interactions energy: -1096.262 where: short stacking energy: -489.234 Base-Backbone interact. energy: 5.353 local terms energy: -515.177735 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -107.238 flat angles C4'-P-C4' energy: -126.567 flat angles P-C4'-P energy: -57.005 tors. eta vs tors. theta energy: -129.319 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: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1130.873999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.873999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.873999 (E_RNA) where: Base-Base interactions energy: -671.420 where: short stacking energy: -324.453 Base-Backbone interact. energy: -1.996 local terms energy: -457.457519 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -114.389 flat angles C4'-P-C4' energy: -113.569 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: -63.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -791.801424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.801424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.801424 (E_RNA) where: Base-Base interactions energy: -402.565 where: short stacking energy: -235.864 Base-Backbone interact. energy: 2.944 local terms energy: -392.180167 where: bonds (distance) C4'-P energy: -99.074 bonds (distance) P-C4' energy: -116.909 flat angles C4'-P-C4' energy: -100.394 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -30.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -527.331897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.331897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.331897 (E_RNA) where: Base-Base interactions energy: -189.102 where: short stacking energy: -156.755 Base-Backbone interact. energy: 0.562 local terms energy: -338.792513 where: bonds (distance) C4'-P energy: -104.791 bonds (distance) P-C4' energy: -97.515 flat angles C4'-P-C4' energy: -79.257 flat angles P-C4'-P energy: -67.839 tors. eta vs tors. theta energy: 10.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -521.775139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.775139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.775139 (E_RNA) where: Base-Base interactions energy: -207.268 where: short stacking energy: -182.267 Base-Backbone interact. energy: 5.440 local terms energy: -319.947162 where: bonds (distance) C4'-P energy: -112.232 bonds (distance) P-C4' energy: -96.296 flat angles C4'-P-C4' energy: -58.195 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: 2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2208.589470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.589470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.589470 (E_RNA) where: Base-Base interactions energy: -1522.658 where: short stacking energy: -623.642 Base-Backbone interact. energy: -6.724 local terms energy: -679.207722 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -129.268 flat angles C4'-P-C4' energy: -130.871 flat angles P-C4'-P energy: -97.644 tors. eta vs tors. theta energy: -192.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2140.111175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.111175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.111175 (E_RNA) where: Base-Base interactions energy: -1481.177 where: short stacking energy: -628.974 Base-Backbone interact. energy: -3.277 local terms energy: -655.657441 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -137.855 flat angles P-C4'-P energy: -77.322 tors. eta vs tors. theta energy: -188.995 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: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2029.438000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.438000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.438000 (E_RNA) where: Base-Base interactions energy: -1426.984 where: short stacking energy: -586.097 Base-Backbone interact. energy: -8.397 local terms energy: -594.056497 where: bonds (distance) C4'-P energy: -106.976 bonds (distance) P-C4' energy: -122.972 flat angles C4'-P-C4' energy: -122.188 flat angles P-C4'-P energy: -90.039 tors. eta vs tors. theta energy: -151.881 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: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1891.403150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.403150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.403150 (E_RNA) where: Base-Base interactions energy: -1304.272 where: short stacking energy: -536.136 Base-Backbone interact. energy: -0.747 local terms energy: -586.383631 where: bonds (distance) C4'-P energy: -105.598 bonds (distance) P-C4' energy: -127.521 flat angles C4'-P-C4' energy: -137.901 flat angles P-C4'-P energy: -72.569 tors. eta vs tors. theta energy: -142.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1821.087903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.087903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.087903 (E_RNA) where: Base-Base interactions energy: -1263.360 where: short stacking energy: -522.350 Base-Backbone interact. energy: -7.604 local terms energy: -550.124139 where: bonds (distance) C4'-P energy: -75.785 bonds (distance) P-C4' energy: -119.224 flat angles C4'-P-C4' energy: -118.822 flat angles P-C4'-P energy: -84.406 tors. eta vs tors. theta energy: -151.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1658.637696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.637696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.637696 (E_RNA) where: Base-Base interactions energy: -1091.077 where: short stacking energy: -491.152 Base-Backbone interact. energy: -1.708 local terms energy: -565.853123 where: bonds (distance) C4'-P energy: -107.287 bonds (distance) P-C4' energy: -112.167 flat angles C4'-P-C4' energy: -133.224 flat angles P-C4'-P energy: -86.342 tors. eta vs tors. theta energy: -126.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1209.468112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.468112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.468112 (E_RNA) where: Base-Base interactions energy: -765.590 where: short stacking energy: -349.142 Base-Backbone interact. energy: -2.570 local terms energy: -441.308556 where: bonds (distance) C4'-P energy: -102.763 bonds (distance) P-C4' energy: -108.838 flat angles C4'-P-C4' energy: -106.838 flat angles P-C4'-P energy: -61.235 tors. eta vs tors. theta energy: -61.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -809.964111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.964111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.964111 (E_RNA) where: Base-Base interactions energy: -421.824 where: short stacking energy: -212.490 Base-Backbone interact. energy: 4.294 local terms energy: -392.433917 where: bonds (distance) C4'-P energy: -92.353 bonds (distance) P-C4' energy: -122.749 flat angles C4'-P-C4' energy: -107.131 flat angles P-C4'-P energy: -68.174 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -525.372719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.372719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.372719 (E_RNA) where: Base-Base interactions energy: -204.554 where: short stacking energy: -162.256 Base-Backbone interact. energy: 6.659 local terms energy: -327.477481 where: bonds (distance) C4'-P energy: -117.994 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -87.433 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: 26.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -479.700363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.700363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.700363 (E_RNA) where: Base-Base interactions energy: -175.412 where: short stacking energy: -130.400 Base-Backbone interact. energy: -0.046 local terms energy: -304.242311 where: bonds (distance) C4'-P energy: -106.040 bonds (distance) P-C4' energy: -97.704 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -32.444 tors. eta vs tors. theta energy: 24.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2198.717042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.717042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.717042 (E_RNA) where: Base-Base interactions energy: -1518.292 where: short stacking energy: -614.657 Base-Backbone interact. energy: -4.927 local terms energy: -675.499030 where: bonds (distance) C4'-P energy: -130.082 bonds (distance) P-C4' energy: -121.719 flat angles C4'-P-C4' energy: -139.030 flat angles P-C4'-P energy: -102.070 tors. eta vs tors. theta energy: -182.599 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: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2141.537414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.537414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.537414 (E_RNA) where: Base-Base interactions energy: -1477.666 where: short stacking energy: -578.688 Base-Backbone interact. energy: -3.112 local terms energy: -660.759782 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -135.510 flat angles C4'-P-C4' energy: -129.809 flat angles P-C4'-P energy: -96.791 tors. eta vs tors. theta energy: -173.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2037.934682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.934682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.934682 (E_RNA) where: Base-Base interactions energy: -1396.068 where: short stacking energy: -592.097 Base-Backbone interact. energy: -10.537 local terms energy: -631.328992 where: bonds (distance) C4'-P energy: -120.131 bonds (distance) P-C4' energy: -119.465 flat angles C4'-P-C4' energy: -131.936 flat angles P-C4'-P energy: -96.136 tors. eta vs tors. theta energy: -163.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1889.780922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.780922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.780922 (E_RNA) where: Base-Base interactions energy: -1286.500 where: short stacking energy: -563.434 Base-Backbone interact. energy: 0.917 local terms energy: -604.197713 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -114.404 flat angles C4'-P-C4' energy: -137.278 flat angles P-C4'-P energy: -90.237 tors. eta vs tors. theta energy: -149.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1777.818977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.818977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.818977 (E_RNA) where: Base-Base interactions energy: -1221.055 where: short stacking energy: -488.776 Base-Backbone interact. energy: -3.714 local terms energy: -553.050326 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -114.761 flat angles C4'-P-C4' energy: -113.993 flat angles P-C4'-P energy: -82.525 tors. eta vs tors. theta energy: -131.079 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: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1635.639859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.639859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.639859 (E_RNA) where: Base-Base interactions energy: -1093.387 where: short stacking energy: -468.802 Base-Backbone interact. energy: -0.391 local terms energy: -541.862184 where: bonds (distance) C4'-P energy: -102.234 bonds (distance) P-C4' energy: -110.716 flat angles C4'-P-C4' energy: -126.005 flat angles P-C4'-P energy: -76.844 tors. eta vs tors. theta energy: -126.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1217.639059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.639059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.639059 (E_RNA) where: Base-Base interactions energy: -779.867 where: short stacking energy: -345.412 Base-Backbone interact. energy: -4.565 local terms energy: -433.206853 where: bonds (distance) C4'-P energy: -104.038 bonds (distance) P-C4' energy: -111.553 flat angles C4'-P-C4' energy: -89.372 flat angles P-C4'-P energy: -64.072 tors. eta vs tors. theta energy: -64.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -820.965049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.965049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.965049 (E_RNA) where: Base-Base interactions energy: -416.852 where: short stacking energy: -230.417 Base-Backbone interact. energy: 2.185 local terms energy: -406.298377 where: bonds (distance) C4'-P energy: -103.428 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -98.251 flat angles P-C4'-P energy: -65.535 tors. eta vs tors. theta energy: -13.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -564.443881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.443881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.443881 (E_RNA) where: Base-Base interactions energy: -252.466 where: short stacking energy: -186.069 Base-Backbone interact. energy: 2.450 local terms energy: -314.427927 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -93.534 flat angles C4'-P-C4' energy: -95.952 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: 4.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -471.658073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.658073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.658073 (E_RNA) where: Base-Base interactions energy: -166.740 where: short stacking energy: -141.273 Base-Backbone interact. energy: -1.120 local terms energy: -303.798460 where: bonds (distance) C4'-P energy: -106.931 bonds (distance) P-C4' energy: -111.569 flat angles C4'-P-C4' energy: -84.504 flat angles P-C4'-P energy: -34.681 tors. eta vs tors. theta energy: 33.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2173.737379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.737379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.737379 (E_RNA) where: Base-Base interactions energy: -1492.366 where: short stacking energy: -637.659 Base-Backbone interact. energy: -3.120 local terms energy: -678.251192 where: bonds (distance) C4'-P energy: -120.887 bonds (distance) P-C4' energy: -126.880 flat angles C4'-P-C4' energy: -136.032 flat angles P-C4'-P energy: -103.735 tors. eta vs tors. theta energy: -190.717 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: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2155.436675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.436675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.436675 (E_RNA) where: Base-Base interactions energy: -1492.618 where: short stacking energy: -635.534 Base-Backbone interact. energy: 1.890 local terms energy: -664.708782 where: bonds (distance) C4'-P energy: -120.707 bonds (distance) P-C4' energy: -123.582 flat angles C4'-P-C4' energy: -143.202 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -188.175 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: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2057.044960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.044960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.044960 (E_RNA) where: Base-Base interactions energy: -1446.651 where: short stacking energy: -603.425 Base-Backbone interact. energy: -0.002 local terms energy: -610.391567 where: bonds (distance) C4'-P energy: -128.810 bonds (distance) P-C4' energy: -110.158 flat angles C4'-P-C4' energy: -121.601 flat angles P-C4'-P energy: -82.670 tors. eta vs tors. theta energy: -167.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1908.339939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.339939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.339939 (E_RNA) where: Base-Base interactions energy: -1298.497 where: short stacking energy: -548.834 Base-Backbone interact. energy: 0.868 local terms energy: -610.710800 where: bonds (distance) C4'-P energy: -117.319 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -128.910 flat angles P-C4'-P energy: -91.021 tors. eta vs tors. theta energy: -149.429 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: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1803.849201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.849201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.849201 (E_RNA) where: Base-Base interactions energy: -1239.615 where: short stacking energy: -522.059 Base-Backbone interact. energy: -2.470 local terms energy: -561.764571 where: bonds (distance) C4'-P energy: -110.858 bonds (distance) P-C4' energy: -98.140 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -83.154 tors. eta vs tors. theta energy: -144.476 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: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1647.593124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.593124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.593124 (E_RNA) where: Base-Base interactions energy: -1109.771 where: short stacking energy: -503.415 Base-Backbone interact. energy: -3.728 local terms energy: -534.093986 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -108.192 flat angles C4'-P-C4' energy: -127.341 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -135.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1229.376567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.376567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.376567 (E_RNA) where: Base-Base interactions energy: -811.931 where: short stacking energy: -363.417 Base-Backbone interact. energy: 0.064 local terms energy: -417.509669 where: bonds (distance) C4'-P energy: -92.364 bonds (distance) P-C4' energy: -106.762 flat angles C4'-P-C4' energy: -98.331 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -63.876 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: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -773.598269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.598269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.598269 (E_RNA) where: Base-Base interactions energy: -395.893 where: short stacking energy: -211.356 Base-Backbone interact. energy: 3.340 local terms energy: -381.045195 where: bonds (distance) C4'-P energy: -111.980 bonds (distance) P-C4' energy: -126.266 flat angles C4'-P-C4' energy: -88.906 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -3.804 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: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -573.383139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.383139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.383139 (E_RNA) where: Base-Base interactions energy: -229.113 where: short stacking energy: -178.083 Base-Backbone interact. energy: 1.571 local terms energy: -345.840680 where: bonds (distance) C4'-P energy: -99.043 bonds (distance) P-C4' energy: -118.796 flat angles C4'-P-C4' energy: -93.035 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: 3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -502.400357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.400357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.400357 (E_RNA) where: Base-Base interactions energy: -194.921 where: short stacking energy: -148.477 Base-Backbone interact. energy: 0.685 local terms energy: -308.165110 where: bonds (distance) C4'-P energy: -94.083 bonds (distance) P-C4' energy: -102.460 flat angles C4'-P-C4' energy: -94.635 flat angles P-C4'-P energy: -50.274 tors. eta vs tors. theta energy: 33.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2184.600436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.600436 (E_RNA) where: Base-Base interactions energy: -1512.392 where: short stacking energy: -629.577 Base-Backbone interact. energy: -2.653 local terms energy: -669.554892 where: bonds (distance) C4'-P energy: -134.833 bonds (distance) P-C4' energy: -115.356 flat angles C4'-P-C4' energy: -145.004 flat angles P-C4'-P energy: -99.602 tors. eta vs tors. theta energy: -174.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2129.454605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.454605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.454605 (E_RNA) where: Base-Base interactions energy: -1485.712 where: short stacking energy: -605.247 Base-Backbone interact. energy: -2.265 local terms energy: -641.477727 where: bonds (distance) C4'-P energy: -118.608 bonds (distance) P-C4' energy: -113.337 flat angles C4'-P-C4' energy: -136.535 flat angles P-C4'-P energy: -81.173 tors. eta vs tors. theta energy: -191.825 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: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2026.306822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.306822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.306822 (E_RNA) where: Base-Base interactions energy: -1431.151 where: short stacking energy: -589.261 Base-Backbone interact. energy: -1.058 local terms energy: -594.097839 where: bonds (distance) C4'-P energy: -104.420 bonds (distance) P-C4' energy: -112.480 flat angles C4'-P-C4' energy: -135.759 flat angles P-C4'-P energy: -77.627 tors. eta vs tors. theta energy: -163.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1873.875937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.875937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.875937 (E_RNA) where: Base-Base interactions energy: -1273.289 where: short stacking energy: -555.780 Base-Backbone interact. energy: -1.683 local terms energy: -598.903142 where: bonds (distance) C4'-P energy: -110.385 bonds (distance) P-C4' energy: -119.406 flat angles C4'-P-C4' energy: -121.392 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -153.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1761.375053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.375053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.375053 (E_RNA) where: Base-Base interactions energy: -1211.420 where: short stacking energy: -500.064 Base-Backbone interact. energy: -2.364 local terms energy: -547.591387 where: bonds (distance) C4'-P energy: -97.744 bonds (distance) P-C4' energy: -105.239 flat angles C4'-P-C4' energy: -118.751 flat angles P-C4'-P energy: -86.558 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: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1637.282782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.282782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.282782 (E_RNA) where: Base-Base interactions energy: -1067.153 where: short stacking energy: -463.245 Base-Backbone interact. energy: 1.398 local terms energy: -571.527839 where: bonds (distance) C4'-P energy: -103.433 bonds (distance) P-C4' energy: -120.851 flat angles C4'-P-C4' energy: -116.748 flat angles P-C4'-P energy: -88.825 tors. eta vs tors. theta energy: -141.671 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: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1195.734157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.734157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.734157 (E_RNA) where: Base-Base interactions energy: -733.889 where: short stacking energy: -329.790 Base-Backbone interact. energy: 0.812 local terms energy: -462.657513 where: bonds (distance) C4'-P energy: -121.799 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -119.656 flat angles P-C4'-P energy: -56.830 tors. eta vs tors. theta energy: -52.294 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: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -795.888750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.888750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.888750 (E_RNA) where: Base-Base interactions energy: -392.473 where: short stacking energy: -240.977 Base-Backbone interact. energy: -1.696 local terms energy: -401.719674 where: bonds (distance) C4'-P energy: -105.192 bonds (distance) P-C4' energy: -108.481 flat angles C4'-P-C4' energy: -114.685 flat angles P-C4'-P energy: -60.372 tors. eta vs tors. theta energy: -12.990 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: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -620.148344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.148344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.148344 (E_RNA) where: Base-Base interactions energy: -273.941 where: short stacking energy: -208.019 Base-Backbone interact. energy: -0.060 local terms energy: -346.147879 where: bonds (distance) C4'-P energy: -100.643 bonds (distance) P-C4' energy: -101.020 flat angles C4'-P-C4' energy: -96.191 flat angles P-C4'-P energy: -50.317 tors. eta vs tors. theta energy: 2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -507.176624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.176624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.176624 (E_RNA) where: Base-Base interactions energy: -152.157 where: short stacking energy: -134.554 Base-Backbone interact. energy: -4.225 local terms energy: -350.794479 where: bonds (distance) C4'-P energy: -103.203 bonds (distance) P-C4' energy: -108.830 flat angles C4'-P-C4' energy: -97.814 flat angles P-C4'-P energy: -62.008 tors. eta vs tors. theta energy: 21.061 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: 264 Temperature: 0.900000 Total energy: -2203.996853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.996853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.996853 (E_RNA) where: Base-Base interactions energy: -1523.679 where: short stacking energy: -647.522 Base-Backbone interact. energy: -3.651 local terms energy: -676.666203 where: bonds (distance) C4'-P energy: -120.477 bonds (distance) P-C4' energy: -129.524 flat angles C4'-P-C4' energy: -147.484 flat angles P-C4'-P energy: -86.138 tors. eta vs tors. theta energy: -193.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2118.188473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.188473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.188473 (E_RNA) where: Base-Base interactions energy: -1488.853 where: short stacking energy: -627.610 Base-Backbone interact. energy: -1.287 local terms energy: -628.049259 where: bonds (distance) C4'-P energy: -123.024 bonds (distance) P-C4' energy: -112.913 flat angles C4'-P-C4' energy: -135.415 flat angles P-C4'-P energy: -69.762 tors. eta vs tors. theta energy: -186.935 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2037.753410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.753410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.753410 (E_RNA) where: Base-Base interactions energy: -1431.131 where: short stacking energy: -598.171 Base-Backbone interact. energy: -1.354 local terms energy: -605.268290 where: bonds (distance) C4'-P energy: -116.112 bonds (distance) P-C4' energy: -108.487 flat angles C4'-P-C4' energy: -141.923 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: -164.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1845.593390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.593390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.593390 (E_RNA) where: Base-Base interactions energy: -1254.444 where: short stacking energy: -548.677 Base-Backbone interact. energy: -0.564 local terms energy: -590.585339 where: bonds (distance) C4'-P energy: -115.981 bonds (distance) P-C4' energy: -120.207 flat angles C4'-P-C4' energy: -126.508 flat angles P-C4'-P energy: -73.284 tors. eta vs tors. theta energy: -154.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1817.830769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.830769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.830769 (E_RNA) where: Base-Base interactions energy: -1234.069 where: short stacking energy: -532.263 Base-Backbone interact. energy: -2.437 local terms energy: -581.325095 where: bonds (distance) C4'-P energy: -109.324 bonds (distance) P-C4' energy: -117.921 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -86.428 tors. eta vs tors. theta energy: -143.891 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: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1667.847776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.847776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.847776 (E_RNA) where: Base-Base interactions energy: -1130.170 where: short stacking energy: -522.788 Base-Backbone interact. energy: 0.313 local terms energy: -537.990342 where: bonds (distance) C4'-P energy: -117.756 bonds (distance) P-C4' energy: -100.759 flat angles C4'-P-C4' energy: -111.885 flat angles P-C4'-P energy: -68.226 tors. eta vs tors. theta energy: -139.365 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: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1198.391551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.391551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.391551 (E_RNA) where: Base-Base interactions energy: -728.907 where: short stacking energy: -367.233 Base-Backbone interact. energy: -2.475 local terms energy: -467.009480 where: bonds (distance) C4'-P energy: -97.924 bonds (distance) P-C4' energy: -112.216 flat angles C4'-P-C4' energy: -109.585 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -62.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -852.108192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.108192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.108192 (E_RNA) where: Base-Base interactions energy: -410.607 where: short stacking energy: -237.312 Base-Backbone interact. energy: -2.780 local terms energy: -438.721543 where: bonds (distance) C4'-P energy: -88.096 bonds (distance) P-C4' energy: -138.897 flat angles C4'-P-C4' energy: -118.208 flat angles P-C4'-P energy: -58.125 tors. eta vs tors. theta energy: -35.395 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: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -618.654452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.654452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.654452 (E_RNA) where: Base-Base interactions energy: -290.152 where: short stacking energy: -160.726 Base-Backbone interact. energy: 0.146 local terms energy: -328.647993 where: bonds (distance) C4'-P energy: -118.650 bonds (distance) P-C4' energy: -94.069 flat angles C4'-P-C4' energy: -85.036 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: 20.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -489.138451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.138451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.138451 (E_RNA) where: Base-Base interactions energy: -174.832 where: short stacking energy: -128.493 Base-Backbone interact. energy: -1.350 local terms energy: -312.955907 where: bonds (distance) C4'-P energy: -105.606 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -90.867 flat angles P-C4'-P energy: -16.412 tors. eta vs tors. theta energy: 21.844 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: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2177.389106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.389106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.389106 (E_RNA) where: Base-Base interactions energy: -1499.809 where: short stacking energy: -609.536 Base-Backbone interact. energy: 0.478 local terms energy: -678.058224 where: bonds (distance) C4'-P energy: -132.455 bonds (distance) P-C4' energy: -134.341 flat angles C4'-P-C4' energy: -139.814 flat angles P-C4'-P energy: -84.638 tors. eta vs tors. theta energy: -186.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2168.414988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.414988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.414988 (E_RNA) where: Base-Base interactions energy: -1503.085 where: short stacking energy: -656.039 Base-Backbone interact. energy: -2.268 local terms energy: -663.061857 where: bonds (distance) C4'-P energy: -118.214 bonds (distance) P-C4' energy: -122.042 flat angles C4'-P-C4' energy: -137.354 flat angles P-C4'-P energy: -98.857 tors. eta vs tors. theta energy: -186.595 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: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2056.744794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.744794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.744794 (E_RNA) where: Base-Base interactions energy: -1410.138 where: short stacking energy: -598.711 Base-Backbone interact. energy: -4.211 local terms energy: -642.396082 where: bonds (distance) C4'-P energy: -101.599 bonds (distance) P-C4' energy: -120.876 flat angles C4'-P-C4' energy: -150.371 flat angles P-C4'-P energy: -100.082 tors. eta vs tors. theta energy: -169.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1886.719878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.719878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.719878 (E_RNA) where: Base-Base interactions energy: -1276.574 where: short stacking energy: -556.263 Base-Backbone interact. energy: -6.031 local terms energy: -604.114719 where: bonds (distance) C4'-P energy: -113.391 bonds (distance) P-C4' energy: -112.729 flat angles C4'-P-C4' energy: -132.335 flat angles P-C4'-P energy: -89.887 tors. eta vs tors. theta energy: -155.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1822.349743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.349743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.349743 (E_RNA) where: Base-Base interactions energy: -1235.419 where: short stacking energy: -527.310 Base-Backbone interact. energy: -1.414 local terms energy: -585.516814 where: bonds (distance) C4'-P energy: -106.496 bonds (distance) P-C4' energy: -116.773 flat angles C4'-P-C4' energy: -132.594 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -149.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1691.802381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.802381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.802381 (E_RNA) where: Base-Base interactions energy: -1135.748 where: short stacking energy: -501.079 Base-Backbone interact. energy: -1.317 local terms energy: -554.737379 where: bonds (distance) C4'-P energy: -103.059 bonds (distance) P-C4' energy: -105.810 flat angles C4'-P-C4' energy: -115.933 flat angles P-C4'-P energy: -84.423 tors. eta vs tors. theta energy: -145.513 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: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1168.409318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.409318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.409318 (E_RNA) where: Base-Base interactions energy: -708.018 where: short stacking energy: -342.144 Base-Backbone interact. energy: -2.875 local terms energy: -457.516470 where: bonds (distance) C4'-P energy: -110.655 bonds (distance) P-C4' energy: -113.317 flat angles C4'-P-C4' energy: -95.035 flat angles P-C4'-P energy: -74.304 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: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -840.908474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.908474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.908474 (E_RNA) where: Base-Base interactions energy: -442.295 where: short stacking energy: -228.778 Base-Backbone interact. energy: 0.909 local terms energy: -399.522350 where: bonds (distance) C4'-P energy: -106.325 bonds (distance) P-C4' energy: -123.810 flat angles C4'-P-C4' energy: -99.696 flat angles P-C4'-P energy: -61.072 tors. eta vs tors. theta energy: -8.619 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: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -593.839494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.839494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.839494 (E_RNA) where: Base-Base interactions energy: -267.918 where: short stacking energy: -185.398 Base-Backbone interact. energy: 4.747 local terms energy: -330.668527 where: bonds (distance) C4'-P energy: -105.531 bonds (distance) P-C4' energy: -101.048 flat angles C4'-P-C4' energy: -83.344 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: 11.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -480.142310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.142310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.142310 (E_RNA) where: Base-Base interactions energy: -159.134 where: short stacking energy: -135.483 Base-Backbone interact. energy: -0.393 local terms energy: -320.615044 where: bonds (distance) C4'-P energy: -105.658 bonds (distance) P-C4' energy: -100.843 flat angles C4'-P-C4' energy: -81.614 flat angles P-C4'-P energy: -63.853 tors. eta vs tors. theta energy: 31.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2194.031615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.031615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.031615 (E_RNA) where: Base-Base interactions energy: -1504.714 where: short stacking energy: -650.164 Base-Backbone interact. energy: -3.837 local terms energy: -685.480283 where: bonds (distance) C4'-P energy: -127.124 bonds (distance) P-C4' energy: -130.962 flat angles C4'-P-C4' energy: -146.573 flat angles P-C4'-P energy: -100.656 tors. eta vs tors. theta energy: -180.165 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: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2137.010994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.010994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.010994 (E_RNA) where: Base-Base interactions energy: -1480.312 where: short stacking energy: -609.514 Base-Backbone interact. energy: -2.441 local terms energy: -654.257836 where: bonds (distance) C4'-P energy: -119.392 bonds (distance) P-C4' energy: -118.740 flat angles C4'-P-C4' energy: -135.096 flat angles P-C4'-P energy: -91.508 tors. eta vs tors. theta energy: -189.522 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: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2060.217159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.217159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.217159 (E_RNA) where: Base-Base interactions energy: -1450.235 where: short stacking energy: -590.197 Base-Backbone interact. energy: -7.269 local terms energy: -602.713348 where: bonds (distance) C4'-P energy: -111.083 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -135.366 flat angles P-C4'-P energy: -81.002 tors. eta vs tors. theta energy: -161.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1917.257334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.257334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.257334 (E_RNA) where: Base-Base interactions energy: -1282.345 where: short stacking energy: -556.279 Base-Backbone interact. energy: -2.394 local terms energy: -632.517490 where: bonds (distance) C4'-P energy: -116.716 bonds (distance) P-C4' energy: -121.003 flat angles C4'-P-C4' energy: -134.839 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -166.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1855.895350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.895350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.895350 (E_RNA) where: Base-Base interactions energy: -1237.284 where: short stacking energy: -534.386 Base-Backbone interact. energy: -4.517 local terms energy: -614.094420 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -117.564 flat angles C4'-P-C4' energy: -134.103 flat angles P-C4'-P energy: -90.398 tors. eta vs tors. theta energy: -156.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1686.591093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.591093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.591093 (E_RNA) where: Base-Base interactions energy: -1120.067 where: short stacking energy: -503.347 Base-Backbone interact. energy: 3.365 local terms energy: -569.889873 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -128.177 flat angles C4'-P-C4' energy: -114.044 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -143.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1072.934688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.934688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.934688 (E_RNA) where: Base-Base interactions energy: -635.522 where: short stacking energy: -284.800 Base-Backbone interact. energy: 0.929 local terms energy: -438.341598 where: bonds (distance) C4'-P energy: -116.179 bonds (distance) P-C4' energy: -121.163 flat angles C4'-P-C4' energy: -99.707 flat angles P-C4'-P energy: -58.422 tors. eta vs tors. theta energy: -42.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -918.008478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.008478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.008478 (E_RNA) where: Base-Base interactions energy: -534.693 where: short stacking energy: -282.495 Base-Backbone interact. energy: 1.329 local terms energy: -384.645136 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -115.340 flat angles C4'-P-C4' energy: -90.192 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -38.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -547.106058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.106058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.106058 (E_RNA) where: Base-Base interactions energy: -215.060 where: short stacking energy: -167.153 Base-Backbone interact. energy: 6.614 local terms energy: -338.659752 where: bonds (distance) C4'-P energy: -98.075 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -58.949 tors. eta vs tors. theta energy: 12.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -552.287319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.287319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.287319 (E_RNA) where: Base-Base interactions energy: -199.636 where: short stacking energy: -130.365 Base-Backbone interact. energy: -1.368 local terms energy: -351.283016 where: bonds (distance) C4'-P energy: -111.087 bonds (distance) P-C4' energy: -101.970 flat angles C4'-P-C4' energy: -95.379 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: 11.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2190.850216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.850216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.850216 (E_RNA) where: Base-Base interactions energy: -1543.479 where: short stacking energy: -654.196 Base-Backbone interact. energy: 0.288 local terms energy: -647.659223 where: bonds (distance) C4'-P energy: -123.888 bonds (distance) P-C4' energy: -116.671 flat angles C4'-P-C4' energy: -126.522 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -178.583 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: 267 Temperature: 0.950000 Total energy: -2143.146454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.146454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.146454 (E_RNA) where: Base-Base interactions energy: -1482.186 where: short stacking energy: -603.780 Base-Backbone interact. energy: -0.695 local terms energy: -660.265706 where: bonds (distance) C4'-P energy: -128.933 bonds (distance) P-C4' energy: -119.386 flat angles C4'-P-C4' energy: -144.722 flat angles P-C4'-P energy: -84.973 tors. eta vs tors. theta energy: -182.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2070.568389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.568389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.568389 (E_RNA) where: Base-Base interactions energy: -1467.761 where: short stacking energy: -612.115 Base-Backbone interact. energy: 1.265 local terms energy: -604.071777 where: bonds (distance) C4'-P energy: -107.863 bonds (distance) P-C4' energy: -109.761 flat angles C4'-P-C4' energy: -122.212 flat angles P-C4'-P energy: -100.722 tors. eta vs tors. theta energy: -163.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1895.323346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.323346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.323346 (E_RNA) where: Base-Base interactions energy: -1296.557 where: short stacking energy: -547.122 Base-Backbone interact. energy: -6.037 local terms energy: -592.729698 where: bonds (distance) C4'-P energy: -128.050 bonds (distance) P-C4' energy: -117.541 flat angles C4'-P-C4' energy: -120.766 flat angles P-C4'-P energy: -79.529 tors. eta vs tors. theta energy: -146.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1847.080922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.080922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.080922 (E_RNA) where: Base-Base interactions energy: -1276.788 where: short stacking energy: -549.085 Base-Backbone interact. energy: -2.642 local terms energy: -567.650588 where: bonds (distance) C4'-P energy: -94.806 bonds (distance) P-C4' energy: -118.632 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -75.303 tors. eta vs tors. theta energy: -157.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1684.472337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.472337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.472337 (E_RNA) where: Base-Base interactions energy: -1141.089 where: short stacking energy: -511.968 Base-Backbone interact. energy: 4.910 local terms energy: -548.293038 where: bonds (distance) C4'-P energy: -104.203 bonds (distance) P-C4' energy: -108.472 flat angles C4'-P-C4' energy: -117.929 flat angles P-C4'-P energy: -65.672 tors. eta vs tors. theta energy: -152.017 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: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1133.129594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.129594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.129594 (E_RNA) where: Base-Base interactions energy: -696.331 where: short stacking energy: -349.510 Base-Backbone interact. energy: -2.442 local terms energy: -434.356881 where: bonds (distance) C4'-P energy: -114.662 bonds (distance) P-C4' energy: -107.128 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: -53.586 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: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -937.087137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.087137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.087137 (E_RNA) where: Base-Base interactions energy: -528.051 where: short stacking energy: -282.622 Base-Backbone interact. energy: -0.228 local terms energy: -408.807731 where: bonds (distance) C4'-P energy: -94.518 bonds (distance) P-C4' energy: -107.027 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -58.143 tors. eta vs tors. theta energy: -42.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -512.629373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.629373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.629373 (E_RNA) where: Base-Base interactions energy: -171.053 where: short stacking energy: -150.108 Base-Backbone interact. energy: -0.305 local terms energy: -341.271184 where: bonds (distance) C4'-P energy: -105.855 bonds (distance) P-C4' energy: -93.909 flat angles C4'-P-C4' energy: -90.130 flat angles P-C4'-P energy: -47.380 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -572.491746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.491746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.491746 (E_RNA) where: Base-Base interactions energy: -236.556 where: short stacking energy: -152.480 Base-Backbone interact. energy: 1.633 local terms energy: -337.568619 where: bonds (distance) C4'-P energy: -92.960 bonds (distance) P-C4' energy: -111.214 flat angles C4'-P-C4' energy: -68.032 flat angles P-C4'-P energy: -73.767 tors. eta vs tors. theta energy: 8.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2189.418053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.418053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.418053 (E_RNA) where: Base-Base interactions energy: -1521.145 where: short stacking energy: -649.188 Base-Backbone interact. energy: -1.476 local terms energy: -666.796694 where: bonds (distance) C4'-P energy: -123.910 bonds (distance) P-C4' energy: -128.785 flat angles C4'-P-C4' energy: -134.337 flat angles P-C4'-P energy: -91.976 tors. eta vs tors. theta energy: -187.788 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: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2152.628680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.628680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.628680 (E_RNA) where: Base-Base interactions energy: -1472.107 where: short stacking energy: -638.337 Base-Backbone interact. energy: 1.110 local terms energy: -681.631656 where: bonds (distance) C4'-P energy: -118.818 bonds (distance) P-C4' energy: -126.469 flat angles C4'-P-C4' energy: -145.610 flat angles P-C4'-P energy: -96.130 tors. eta vs tors. theta energy: -194.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2062.504371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.504371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.504371 (E_RNA) where: Base-Base interactions energy: -1437.862 where: short stacking energy: -585.331 Base-Backbone interact. energy: -4.060 local terms energy: -620.582616 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -118.267 flat angles C4'-P-C4' energy: -143.525 flat angles P-C4'-P energy: -70.222 tors. eta vs tors. theta energy: -158.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1872.320622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.320622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.320622 (E_RNA) where: Base-Base interactions energy: -1258.664 where: short stacking energy: -554.546 Base-Backbone interact. energy: -0.020 local terms energy: -613.636613 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -127.445 flat angles C4'-P-C4' energy: -124.514 flat angles P-C4'-P energy: -96.358 tors. eta vs tors. theta energy: -152.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1820.417338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.417338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.417338 (E_RNA) where: Base-Base interactions energy: -1225.552 where: short stacking energy: -554.281 Base-Backbone interact. energy: -2.786 local terms energy: -592.079044 where: bonds (distance) C4'-P energy: -114.470 bonds (distance) P-C4' energy: -111.762 flat angles C4'-P-C4' energy: -121.502 flat angles P-C4'-P energy: -82.463 tors. eta vs tors. theta energy: -161.882 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: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1718.825079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.825079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.825079 (E_RNA) where: Base-Base interactions energy: -1147.144 where: short stacking energy: -512.780 Base-Backbone interact. energy: -0.733 local terms energy: -570.947418 where: bonds (distance) C4'-P energy: -104.257 bonds (distance) P-C4' energy: -114.027 flat angles C4'-P-C4' energy: -135.336 flat angles P-C4'-P energy: -81.289 tors. eta vs tors. theta energy: -136.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1060.537327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.537327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.537327 (E_RNA) where: Base-Base interactions energy: -617.933 where: short stacking energy: -274.382 Base-Backbone interact. energy: 3.954 local terms energy: -446.558221 where: bonds (distance) C4'-P energy: -112.303 bonds (distance) P-C4' energy: -110.525 flat angles C4'-P-C4' energy: -113.140 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -44.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -863.648285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.648285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.648285 (E_RNA) where: Base-Base interactions energy: -442.469 where: short stacking energy: -240.727 Base-Backbone interact. energy: -3.496 local terms energy: -417.683584 where: bonds (distance) C4'-P energy: -103.110 bonds (distance) P-C4' energy: -112.291 flat angles C4'-P-C4' energy: -108.160 flat angles P-C4'-P energy: -63.833 tors. eta vs tors. theta energy: -30.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -584.096048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.096048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.096048 (E_RNA) where: Base-Base interactions energy: -281.003 where: short stacking energy: -186.042 Base-Backbone interact. energy: 1.363 local terms energy: -304.455825 where: bonds (distance) C4'-P energy: -106.995 bonds (distance) P-C4' energy: -93.911 flat angles C4'-P-C4' energy: -74.823 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: 19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -512.700418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.700418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.700418 (E_RNA) where: Base-Base interactions energy: -201.954 where: short stacking energy: -135.681 Base-Backbone interact. energy: 2.593 local terms energy: -313.339621 where: bonds (distance) C4'-P energy: -105.529 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -105.904 flat angles P-C4'-P energy: -36.198 tors. eta vs tors. theta energy: 38.552 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: 269 Temperature: 0.900000 Total energy: -2176.802504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.802504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.802504 (E_RNA) where: Base-Base interactions energy: -1498.466 where: short stacking energy: -638.294 Base-Backbone interact. energy: 1.463 local terms energy: -679.799541 where: bonds (distance) C4'-P energy: -124.680 bonds (distance) P-C4' energy: -123.094 flat angles C4'-P-C4' energy: -154.469 flat angles P-C4'-P energy: -94.892 tors. eta vs tors. theta energy: -182.665 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: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2111.143700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.143700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.143700 (E_RNA) where: Base-Base interactions energy: -1462.297 where: short stacking energy: -608.701 Base-Backbone interact. energy: -1.897 local terms energy: -646.949877 where: bonds (distance) C4'-P energy: -127.720 bonds (distance) P-C4' energy: -124.981 flat angles C4'-P-C4' energy: -142.583 flat angles P-C4'-P energy: -76.594 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: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2056.856652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.856652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.856652 (E_RNA) where: Base-Base interactions energy: -1424.200 where: short stacking energy: -596.301 Base-Backbone interact. energy: -2.741 local terms energy: -629.915729 where: bonds (distance) C4'-P energy: -122.611 bonds (distance) P-C4' energy: -135.321 flat angles C4'-P-C4' energy: -133.107 flat angles P-C4'-P energy: -71.193 tors. eta vs tors. theta energy: -167.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1931.099025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.099025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.099025 (E_RNA) where: Base-Base interactions energy: -1310.722 where: short stacking energy: -599.605 Base-Backbone interact. energy: -3.754 local terms energy: -616.622488 where: bonds (distance) C4'-P energy: -110.823 bonds (distance) P-C4' energy: -118.507 flat angles C4'-P-C4' energy: -131.638 flat angles P-C4'-P energy: -95.270 tors. eta vs tors. theta energy: -160.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1823.291429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.291429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.291429 (E_RNA) where: Base-Base interactions energy: -1219.671 where: short stacking energy: -534.599 Base-Backbone interact. energy: -3.425 local terms energy: -600.196017 where: bonds (distance) C4'-P energy: -108.807 bonds (distance) P-C4' energy: -130.271 flat angles C4'-P-C4' energy: -129.814 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: -152.093 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: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1720.026662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.026662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.026662 (E_RNA) where: Base-Base interactions energy: -1160.539 where: short stacking energy: -480.939 Base-Backbone interact. energy: -1.400 local terms energy: -558.087218 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -105.969 flat angles C4'-P-C4' energy: -115.695 flat angles P-C4'-P energy: -82.907 tors. eta vs tors. theta energy: -127.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1104.460429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.460429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.460429 (E_RNA) where: Base-Base interactions energy: -646.614 where: short stacking energy: -321.473 Base-Backbone interact. energy: -3.331 local terms energy: -454.515469 where: bonds (distance) C4'-P energy: -98.656 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -110.782 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -64.330 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: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -864.450223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.450223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.450223 (E_RNA) where: Base-Base interactions energy: -449.913 where: short stacking energy: -271.846 Base-Backbone interact. energy: 2.148 local terms energy: -416.685094 where: bonds (distance) C4'-P energy: -101.193 bonds (distance) P-C4' energy: -126.494 flat angles C4'-P-C4' energy: -115.940 flat angles P-C4'-P energy: -56.130 tors. eta vs tors. theta energy: -16.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -620.977056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.977056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.977056 (E_RNA) where: Base-Base interactions energy: -289.163 where: short stacking energy: -223.683 Base-Backbone interact. energy: -2.654 local terms energy: -329.160468 where: bonds (distance) C4'-P energy: -100.170 bonds (distance) P-C4' energy: -124.323 flat angles C4'-P-C4' energy: -50.167 flat angles P-C4'-P energy: -56.591 tors. eta vs tors. theta energy: 2.091 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: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -485.398927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.398927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.398927 (E_RNA) where: Base-Base interactions energy: -174.711 where: short stacking energy: -143.966 Base-Backbone interact. energy: 3.395 local terms energy: -314.082478 where: bonds (distance) C4'-P energy: -96.383 bonds (distance) P-C4' energy: -97.555 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: 10.877 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: 270 Temperature: 0.900000 Total energy: -2173.866789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.866789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.866789 (E_RNA) where: Base-Base interactions energy: -1481.197 where: short stacking energy: -625.474 Base-Backbone interact. energy: -1.871 local terms energy: -690.798846 where: bonds (distance) C4'-P energy: -136.468 bonds (distance) P-C4' energy: -124.260 flat angles C4'-P-C4' energy: -139.142 flat angles P-C4'-P energy: -110.199 tors. eta vs tors. theta energy: -180.729 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: 270 Temperature: 0.950000 Total energy: -2116.291919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.291919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.291919 (E_RNA) where: Base-Base interactions energy: -1451.012 where: short stacking energy: -632.813 Base-Backbone interact. energy: -5.019 local terms energy: -660.261164 where: bonds (distance) C4'-P energy: -123.513 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -152.341 flat angles P-C4'-P energy: -91.938 tors. eta vs tors. theta energy: -183.737 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: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2029.225880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.225880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.225880 (E_RNA) where: Base-Base interactions energy: -1395.606 where: short stacking energy: -602.066 Base-Backbone interact. energy: -7.602 local terms energy: -626.017436 where: bonds (distance) C4'-P energy: -126.514 bonds (distance) P-C4' energy: -119.040 flat angles C4'-P-C4' energy: -133.777 flat angles P-C4'-P energy: -91.599 tors. eta vs tors. theta energy: -155.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1886.508188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.508188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.508188 (E_RNA) where: Base-Base interactions energy: -1274.156 where: short stacking energy: -533.236 Base-Backbone interact. energy: -2.997 local terms energy: -609.355103 where: bonds (distance) C4'-P energy: -129.578 bonds (distance) P-C4' energy: -108.053 flat angles C4'-P-C4' energy: -126.937 flat angles P-C4'-P energy: -84.100 tors. eta vs tors. theta energy: -160.687 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: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1832.772223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.772223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.772223 (E_RNA) where: Base-Base interactions energy: -1229.315 where: short stacking energy: -541.935 Base-Backbone interact. energy: -2.655 local terms energy: -600.802076 where: bonds (distance) C4'-P energy: -117.432 bonds (distance) P-C4' energy: -108.431 flat angles C4'-P-C4' energy: -133.810 flat angles P-C4'-P energy: -88.932 tors. eta vs tors. theta energy: -152.197 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: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1661.077874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.077874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.077874 (E_RNA) where: Base-Base interactions energy: -1118.132 where: short stacking energy: -505.039 Base-Backbone interact. energy: -0.571 local terms energy: -542.375684 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -109.608 flat angles C4'-P-C4' energy: -133.938 flat angles P-C4'-P energy: -72.772 tors. eta vs tors. theta energy: -134.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1024.090225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.090225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.090225 (E_RNA) where: Base-Base interactions energy: -602.971 where: short stacking energy: -306.903 Base-Backbone interact. energy: -0.307 local terms energy: -420.812258 where: bonds (distance) C4'-P energy: -101.146 bonds (distance) P-C4' energy: -112.290 flat angles C4'-P-C4' energy: -105.107 flat angles P-C4'-P energy: -53.638 tors. eta vs tors. theta energy: -48.631 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: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -786.399013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.399013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.399013 (E_RNA) where: Base-Base interactions energy: -399.457 where: short stacking energy: -233.400 Base-Backbone interact. energy: -0.500 local terms energy: -386.442542 where: bonds (distance) C4'-P energy: -107.600 bonds (distance) P-C4' energy: -119.206 flat angles C4'-P-C4' energy: -94.263 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -10.580 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: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -620.381537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.381537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.381537 (E_RNA) where: Base-Base interactions energy: -268.809 where: short stacking energy: -173.396 Base-Backbone interact. energy: 3.704 local terms energy: -355.276294 where: bonds (distance) C4'-P energy: -108.465 bonds (distance) P-C4' energy: -104.880 flat angles C4'-P-C4' energy: -90.569 flat angles P-C4'-P energy: -53.520 tors. eta vs tors. theta energy: 2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -526.127403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.127403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.127403 (E_RNA) where: Base-Base interactions energy: -186.168 where: short stacking energy: -159.819 Base-Backbone interact. energy: 9.641 local terms energy: -349.600524 where: bonds (distance) C4'-P energy: -103.105 bonds (distance) P-C4' energy: -117.305 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: 10.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2194.777357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.777357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.777357 (E_RNA) where: Base-Base interactions energy: -1516.586 where: short stacking energy: -637.002 Base-Backbone interact. energy: -1.845 local terms energy: -676.345989 where: bonds (distance) C4'-P energy: -119.772 bonds (distance) P-C4' energy: -129.392 flat angles C4'-P-C4' energy: -146.035 flat angles P-C4'-P energy: -102.200 tors. eta vs tors. theta energy: -178.949 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: 271 Temperature: 0.950000 Total energy: -2148.864796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.864796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.864796 (E_RNA) where: Base-Base interactions energy: -1493.009 where: short stacking energy: -636.727 Base-Backbone interact. energy: -2.250 local terms energy: -653.606123 where: bonds (distance) C4'-P energy: -124.939 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -139.458 flat angles P-C4'-P energy: -98.649 tors. eta vs tors. theta energy: -179.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2022.739605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.739605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.739605 (E_RNA) where: Base-Base interactions energy: -1430.263 where: short stacking energy: -620.884 Base-Backbone interact. energy: 1.941 local terms energy: -594.416858 where: bonds (distance) C4'-P energy: -117.695 bonds (distance) P-C4' energy: -121.329 flat angles C4'-P-C4' energy: -135.832 flat angles P-C4'-P energy: -70.408 tors. eta vs tors. theta energy: -149.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1903.881884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.881884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.881884 (E_RNA) where: Base-Base interactions energy: -1310.883 where: short stacking energy: -534.555 Base-Backbone interact. energy: -0.925 local terms energy: -592.073237 where: bonds (distance) C4'-P energy: -106.960 bonds (distance) P-C4' energy: -107.349 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -83.141 tors. eta vs tors. theta energy: -158.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1766.832290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.832290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.832290 (E_RNA) where: Base-Base interactions energy: -1175.787 where: short stacking energy: -523.638 Base-Backbone interact. energy: 0.974 local terms energy: -592.019527 where: bonds (distance) C4'-P energy: -102.576 bonds (distance) P-C4' energy: -121.096 flat angles C4'-P-C4' energy: -126.026 flat angles P-C4'-P energy: -88.402 tors. eta vs tors. theta energy: -153.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1708.972031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.972031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.972031 (E_RNA) where: Base-Base interactions energy: -1137.642 where: short stacking energy: -511.755 Base-Backbone interact. energy: 0.640 local terms energy: -571.969515 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -112.977 flat angles C4'-P-C4' energy: -124.484 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -151.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1072.972127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.972127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.972127 (E_RNA) where: Base-Base interactions energy: -640.123 where: short stacking energy: -322.861 Base-Backbone interact. energy: 3.052 local terms energy: -435.901275 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -115.378 flat angles C4'-P-C4' energy: -103.719 flat angles P-C4'-P energy: -63.970 tors. eta vs tors. theta energy: -61.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -817.764766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.764766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.764766 (E_RNA) where: Base-Base interactions energy: -437.308 where: short stacking energy: -229.956 Base-Backbone interact. energy: -4.055 local terms energy: -376.401637 where: bonds (distance) C4'-P energy: -91.118 bonds (distance) P-C4' energy: -107.628 flat angles C4'-P-C4' energy: -106.637 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -17.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -597.679465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.679465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.679465 (E_RNA) where: Base-Base interactions energy: -240.756 where: short stacking energy: -172.009 Base-Backbone interact. energy: 2.406 local terms energy: -359.329188 where: bonds (distance) C4'-P energy: -91.128 bonds (distance) P-C4' energy: -99.661 flat angles C4'-P-C4' energy: -93.971 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: -7.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -499.474768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.474768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.474768 (E_RNA) where: Base-Base interactions energy: -174.923 where: short stacking energy: -151.452 Base-Backbone interact. energy: -1.166 local terms energy: -323.386211 where: bonds (distance) C4'-P energy: -97.948 bonds (distance) P-C4' energy: -110.313 flat angles C4'-P-C4' energy: -84.836 flat angles P-C4'-P energy: -59.768 tors. eta vs tors. theta energy: 29.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2188.779855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.779855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.779855 (E_RNA) where: Base-Base interactions energy: -1520.440 where: short stacking energy: -638.365 Base-Backbone interact. energy: -2.707 local terms energy: -665.632315 where: bonds (distance) C4'-P energy: -136.298 bonds (distance) P-C4' energy: -120.744 flat angles C4'-P-C4' energy: -135.116 flat angles P-C4'-P energy: -99.541 tors. eta vs tors. theta energy: -173.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2148.386523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.386523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.386523 (E_RNA) where: Base-Base interactions energy: -1504.197 where: short stacking energy: -625.816 Base-Backbone interact. energy: 0.697 local terms energy: -644.886593 where: bonds (distance) C4'-P energy: -116.822 bonds (distance) P-C4' energy: -125.957 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -94.114 tors. eta vs tors. theta energy: -176.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2037.306251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.306251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.306251 (E_RNA) where: Base-Base interactions energy: -1414.236 where: short stacking energy: -585.345 Base-Backbone interact. energy: 1.105 local terms energy: -624.174969 where: bonds (distance) C4'-P energy: -124.861 bonds (distance) P-C4' energy: -117.815 flat angles C4'-P-C4' energy: -128.824 flat angles P-C4'-P energy: -95.255 tors. eta vs tors. theta energy: -157.420 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: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1884.269326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.269326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.269326 (E_RNA) where: Base-Base interactions energy: -1295.891 where: short stacking energy: -551.396 Base-Backbone interact. energy: -4.092 local terms energy: -584.285574 where: bonds (distance) C4'-P energy: -110.806 bonds (distance) P-C4' energy: -109.492 flat angles C4'-P-C4' energy: -121.676 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -161.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1780.776168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.776168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.776168 (E_RNA) where: Base-Base interactions energy: -1175.105 where: short stacking energy: -499.922 Base-Backbone interact. energy: -2.679 local terms energy: -602.992230 where: bonds (distance) C4'-P energy: -114.122 bonds (distance) P-C4' energy: -122.167 flat angles C4'-P-C4' energy: -138.511 flat angles P-C4'-P energy: -81.299 tors. eta vs tors. theta energy: -146.893 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: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1786.969004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.969004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.969004 (E_RNA) where: Base-Base interactions energy: -1199.573 where: short stacking energy: -539.563 Base-Backbone interact. energy: 0.965 local terms energy: -588.360427 where: bonds (distance) C4'-P energy: -96.360 bonds (distance) P-C4' energy: -119.331 flat angles C4'-P-C4' energy: -132.811 flat angles P-C4'-P energy: -78.554 tors. eta vs tors. theta energy: -161.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1064.634211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.634211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.634211 (E_RNA) where: Base-Base interactions energy: -616.191 where: short stacking energy: -302.471 Base-Backbone interact. energy: -4.855 local terms energy: -443.587794 where: bonds (distance) C4'-P energy: -109.634 bonds (distance) P-C4' energy: -109.855 flat angles C4'-P-C4' energy: -110.547 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -53.938 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: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -817.637118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.637118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.637118 (E_RNA) where: Base-Base interactions energy: -411.871 where: short stacking energy: -212.895 Base-Backbone interact. energy: 0.105 local terms energy: -405.870810 where: bonds (distance) C4'-P energy: -114.465 bonds (distance) P-C4' energy: -127.497 flat angles C4'-P-C4' energy: -90.180 flat angles P-C4'-P energy: -68.999 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -645.348044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.348044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.348044 (E_RNA) where: Base-Base interactions energy: -296.076 where: short stacking energy: -205.978 Base-Backbone interact. energy: 1.292 local terms energy: -350.564214 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -87.101 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -13.240 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: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -515.450689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.450689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.450689 (E_RNA) where: Base-Base interactions energy: -207.216 where: short stacking energy: -128.666 Base-Backbone interact. energy: -1.685 local terms energy: -306.550162 where: bonds (distance) C4'-P energy: -86.307 bonds (distance) P-C4' energy: -95.562 flat angles C4'-P-C4' energy: -75.471 flat angles P-C4'-P energy: -60.251 tors. eta vs tors. theta energy: 11.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2192.586346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.586346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.586346 (E_RNA) where: Base-Base interactions energy: -1510.051 where: short stacking energy: -628.179 Base-Backbone interact. energy: -3.443 local terms energy: -679.092268 where: bonds (distance) C4'-P energy: -127.319 bonds (distance) P-C4' energy: -118.320 flat angles C4'-P-C4' energy: -150.488 flat angles P-C4'-P energy: -93.827 tors. eta vs tors. theta energy: -189.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2169.552756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.552756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.552756 (E_RNA) where: Base-Base interactions energy: -1529.422 where: short stacking energy: -637.174 Base-Backbone interact. energy: -1.884 local terms energy: -638.246492 where: bonds (distance) C4'-P energy: -109.725 bonds (distance) P-C4' energy: -108.222 flat angles C4'-P-C4' energy: -136.737 flat angles P-C4'-P energy: -89.516 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: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2087.328847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.328847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.328847 (E_RNA) where: Base-Base interactions energy: -1449.208 where: short stacking energy: -608.725 Base-Backbone interact. energy: -3.716 local terms energy: -634.404975 where: bonds (distance) C4'-P energy: -124.993 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -135.579 flat angles P-C4'-P energy: -85.523 tors. eta vs tors. theta energy: -176.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1846.817095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.817095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.817095 (E_RNA) where: Base-Base interactions energy: -1221.676 where: short stacking energy: -521.598 Base-Backbone interact. energy: -4.219 local terms energy: -620.922456 where: bonds (distance) C4'-P energy: -129.165 bonds (distance) P-C4' energy: -108.422 flat angles C4'-P-C4' energy: -139.761 flat angles P-C4'-P energy: -95.571 tors. eta vs tors. theta energy: -148.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1777.191636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.191636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.191636 (E_RNA) where: Base-Base interactions energy: -1193.699 where: short stacking energy: -496.637 Base-Backbone interact. energy: 0.014 local terms energy: -583.506411 where: bonds (distance) C4'-P energy: -111.449 bonds (distance) P-C4' energy: -98.620 flat angles C4'-P-C4' energy: -142.531 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: -143.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1756.289543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.289543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.289543 (E_RNA) where: Base-Base interactions energy: -1210.417 where: short stacking energy: -511.590 Base-Backbone interact. energy: -3.564 local terms energy: -542.309175 where: bonds (distance) C4'-P energy: -89.253 bonds (distance) P-C4' energy: -113.171 flat angles C4'-P-C4' energy: -111.015 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -149.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1013.459625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.459625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.459625 (E_RNA) where: Base-Base interactions energy: -570.644 where: short stacking energy: -315.956 Base-Backbone interact. energy: 4.963 local terms energy: -447.778369 where: bonds (distance) C4'-P energy: -99.584 bonds (distance) P-C4' energy: -119.691 flat angles C4'-P-C4' energy: -118.576 flat angles P-C4'-P energy: -64.983 tors. eta vs tors. theta energy: -44.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -780.596024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.596024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.596024 (E_RNA) where: Base-Base interactions energy: -385.145 where: short stacking energy: -230.451 Base-Backbone interact. energy: 4.819 local terms energy: -400.270047 where: bonds (distance) C4'-P energy: -121.588 bonds (distance) P-C4' energy: -104.705 flat angles C4'-P-C4' energy: -101.871 flat angles P-C4'-P energy: -56.636 tors. eta vs tors. theta energy: -15.470 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: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -632.941693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.941693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.941693 (E_RNA) where: Base-Base interactions energy: -305.340 where: short stacking energy: -182.046 Base-Backbone interact. energy: 0.644 local terms energy: -328.246212 where: bonds (distance) C4'-P energy: -100.327 bonds (distance) P-C4' energy: -106.167 flat angles C4'-P-C4' energy: -89.124 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: 14.208 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: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -507.265639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.265639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.265639 (E_RNA) where: Base-Base interactions energy: -155.137 where: short stacking energy: -125.370 Base-Backbone interact. energy: 1.718 local terms energy: -353.846006 where: bonds (distance) C4'-P energy: -102.745 bonds (distance) P-C4' energy: -114.423 flat angles C4'-P-C4' energy: -89.118 flat angles P-C4'-P energy: -70.497 tors. eta vs tors. theta energy: 22.937 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2206.530454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.530454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.530454 (E_RNA) where: Base-Base interactions energy: -1521.214 where: short stacking energy: -648.699 Base-Backbone interact. energy: -0.986 local terms energy: -684.331127 where: bonds (distance) C4'-P energy: -128.591 bonds (distance) P-C4' energy: -118.070 flat angles C4'-P-C4' energy: -147.734 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -199.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2162.974212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.974212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.974212 (E_RNA) where: Base-Base interactions energy: -1482.217 where: short stacking energy: -649.876 Base-Backbone interact. energy: -5.548 local terms energy: -675.209753 where: bonds (distance) C4'-P energy: -134.615 bonds (distance) P-C4' energy: -111.465 flat angles C4'-P-C4' energy: -148.617 flat angles P-C4'-P energy: -97.369 tors. eta vs tors. theta energy: -183.144 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: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2067.926540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.926540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.926540 (E_RNA) where: Base-Base interactions energy: -1443.594 where: short stacking energy: -627.355 Base-Backbone interact. energy: -5.486 local terms energy: -618.846745 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -122.275 flat angles C4'-P-C4' energy: -128.707 flat angles P-C4'-P energy: -81.833 tors. eta vs tors. theta energy: -172.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1887.180195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.180195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.180195 (E_RNA) where: Base-Base interactions energy: -1258.947 where: short stacking energy: -563.382 Base-Backbone interact. energy: -2.910 local terms energy: -625.323801 where: bonds (distance) C4'-P energy: -100.280 bonds (distance) P-C4' energy: -124.565 flat angles C4'-P-C4' energy: -137.126 flat angles P-C4'-P energy: -92.634 tors. eta vs tors. theta energy: -170.718 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: 274 Temperature: 1.100000 Total energy: -1794.873447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.873447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.873447 (E_RNA) where: Base-Base interactions energy: -1232.752 where: short stacking energy: -570.164 Base-Backbone interact. energy: -1.808 local terms energy: -560.312879 where: bonds (distance) C4'-P energy: -110.116 bonds (distance) P-C4' energy: -92.520 flat angles C4'-P-C4' energy: -124.867 flat angles P-C4'-P energy: -75.825 tors. eta vs tors. theta energy: -156.985 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: 274 Temperature: 1.150000 Total energy: -1653.964593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.964593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.964593 (E_RNA) where: Base-Base interactions energy: -1096.031 where: short stacking energy: -492.568 Base-Backbone interact. energy: -1.158 local terms energy: -556.775406 where: bonds (distance) C4'-P energy: -100.262 bonds (distance) P-C4' energy: -106.279 flat angles C4'-P-C4' energy: -134.793 flat angles P-C4'-P energy: -81.928 tors. eta vs tors. theta energy: -133.514 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: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -977.519321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.519321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.519321 (E_RNA) where: Base-Base interactions energy: -568.151 where: short stacking energy: -279.290 Base-Backbone interact. energy: 1.170 local terms energy: -410.537888 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -116.756 flat angles C4'-P-C4' energy: -108.861 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -19.842 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: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -859.275834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.275834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.275834 (E_RNA) where: Base-Base interactions energy: -485.477 where: short stacking energy: -252.374 Base-Backbone interact. energy: -0.851 local terms energy: -372.947606 where: bonds (distance) C4'-P energy: -98.124 bonds (distance) P-C4' energy: -116.045 flat angles C4'-P-C4' energy: -96.850 flat angles P-C4'-P energy: -37.702 tors. eta vs tors. theta energy: -24.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -599.068391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.068391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.068391 (E_RNA) where: Base-Base interactions energy: -244.483 where: short stacking energy: -168.303 Base-Backbone interact. energy: 0.071 local terms energy: -354.656229 where: bonds (distance) C4'-P energy: -103.130 bonds (distance) P-C4' energy: -123.383 flat angles C4'-P-C4' energy: -84.590 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: 7.192 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: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -466.322495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.322495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.322495 (E_RNA) where: Base-Base interactions energy: -160.919 where: short stacking energy: -140.370 Base-Backbone interact. energy: 4.596 local terms energy: -309.998701 where: bonds (distance) C4'-P energy: -90.697 bonds (distance) P-C4' energy: -121.290 flat angles C4'-P-C4' energy: -69.868 flat angles P-C4'-P energy: -46.298 tors. eta vs tors. theta energy: 18.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2203.775606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.775606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.775606 (E_RNA) where: Base-Base interactions energy: -1526.430 where: short stacking energy: -651.892 Base-Backbone interact. energy: -3.178 local terms energy: -674.167105 where: bonds (distance) C4'-P energy: -118.319 bonds (distance) P-C4' energy: -119.379 flat angles C4'-P-C4' energy: -144.442 flat angles P-C4'-P energy: -103.140 tors. eta vs tors. theta energy: -188.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2132.317788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.317788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.317788 (E_RNA) where: Base-Base interactions energy: -1489.245 where: short stacking energy: -609.897 Base-Backbone interact. energy: -1.063 local terms energy: -642.010221 where: bonds (distance) C4'-P energy: -108.403 bonds (distance) P-C4' energy: -125.173 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -88.358 tors. eta vs tors. theta energy: -173.491 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: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2056.330170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.330170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.330170 (E_RNA) where: Base-Base interactions energy: -1393.357 where: short stacking energy: -567.084 Base-Backbone interact. energy: -5.154 local terms energy: -657.819139 where: bonds (distance) C4'-P energy: -135.573 bonds (distance) P-C4' energy: -121.242 flat angles C4'-P-C4' energy: -142.112 flat angles P-C4'-P energy: -87.320 tors. eta vs tors. theta energy: -171.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1881.060912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.060912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.060912 (E_RNA) where: Base-Base interactions energy: -1275.168 where: short stacking energy: -577.168 Base-Backbone interact. energy: -1.836 local terms energy: -604.057392 where: bonds (distance) C4'-P energy: -103.940 bonds (distance) P-C4' energy: -119.864 flat angles C4'-P-C4' energy: -131.735 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -169.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1826.199647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.199647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.199647 (E_RNA) where: Base-Base interactions energy: -1211.558 where: short stacking energy: -536.954 Base-Backbone interact. energy: -1.085 local terms energy: -613.557198 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -99.422 flat angles C4'-P-C4' energy: -142.415 flat angles P-C4'-P energy: -97.575 tors. eta vs tors. theta energy: -167.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1560.558110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.558110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.558110 (E_RNA) where: Base-Base interactions energy: -1052.496 where: short stacking energy: -459.048 Base-Backbone interact. energy: -0.550 local terms energy: -507.512328 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -119.852 flat angles C4'-P-C4' energy: -114.041 flat angles P-C4'-P energy: -72.751 tors. eta vs tors. theta energy: -108.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -998.339912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.339912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.339912 (E_RNA) where: Base-Base interactions energy: -582.738 where: short stacking energy: -299.639 Base-Backbone interact. energy: 3.869 local terms energy: -419.470918 where: bonds (distance) C4'-P energy: -105.559 bonds (distance) P-C4' energy: -93.309 flat angles C4'-P-C4' energy: -113.522 flat angles P-C4'-P energy: -67.535 tors. eta vs tors. theta energy: -39.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -902.918869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.918869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.918869 (E_RNA) where: Base-Base interactions energy: -499.328 where: short stacking energy: -256.344 Base-Backbone interact. energy: 0.266 local terms energy: -403.856309 where: bonds (distance) C4'-P energy: -101.208 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -100.163 flat angles P-C4'-P energy: -54.218 tors. eta vs tors. theta energy: -37.259 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: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -642.170702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.170702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.170702 (E_RNA) where: Base-Base interactions energy: -311.813 where: short stacking energy: -198.854 Base-Backbone interact. energy: -1.980 local terms energy: -328.377847 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -95.014 flat angles C4'-P-C4' energy: -88.843 flat angles P-C4'-P energy: -45.463 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -465.183768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.183768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.183768 (E_RNA) where: Base-Base interactions energy: -169.401 where: short stacking energy: -149.007 Base-Backbone interact. energy: 4.494 local terms energy: -300.277293 where: bonds (distance) C4'-P energy: -94.027 bonds (distance) P-C4' energy: -98.400 flat angles C4'-P-C4' energy: -78.738 flat angles P-C4'-P energy: -52.824 tors. eta vs tors. theta energy: 23.712 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: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2176.910153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.910153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.910153 (E_RNA) where: Base-Base interactions energy: -1497.047 where: short stacking energy: -610.101 Base-Backbone interact. energy: 1.825 local terms energy: -681.688366 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -123.381 flat angles C4'-P-C4' energy: -150.016 flat angles P-C4'-P energy: -100.579 tors. eta vs tors. theta energy: -183.615 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: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2127.334207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.334207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.334207 (E_RNA) where: Base-Base interactions energy: -1452.421 where: short stacking energy: -610.047 Base-Backbone interact. energy: -4.467 local terms energy: -670.445923 where: bonds (distance) C4'-P energy: -121.436 bonds (distance) P-C4' energy: -126.999 flat angles C4'-P-C4' energy: -142.650 flat angles P-C4'-P energy: -99.326 tors. eta vs tors. theta energy: -180.034 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2051.219258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.219258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.219258 (E_RNA) where: Base-Base interactions energy: -1417.541 where: short stacking energy: -598.848 Base-Backbone interact. energy: 0.421 local terms energy: -634.099310 where: bonds (distance) C4'-P energy: -128.677 bonds (distance) P-C4' energy: -112.595 flat angles C4'-P-C4' energy: -139.161 flat angles P-C4'-P energy: -90.115 tors. eta vs tors. theta energy: -163.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1890.767243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.767243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.767243 (E_RNA) where: Base-Base interactions energy: -1275.955 where: short stacking energy: -559.909 Base-Backbone interact. energy: -4.227 local terms energy: -610.585288 where: bonds (distance) C4'-P energy: -119.878 bonds (distance) P-C4' energy: -121.683 flat angles C4'-P-C4' energy: -137.837 flat angles P-C4'-P energy: -75.493 tors. eta vs tors. theta energy: -155.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1779.482395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.482395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.482395 (E_RNA) where: Base-Base interactions energy: -1212.030 where: short stacking energy: -504.741 Base-Backbone interact. energy: 0.523 local terms energy: -567.975041 where: bonds (distance) C4'-P energy: -102.660 bonds (distance) P-C4' energy: -104.608 flat angles C4'-P-C4' energy: -126.710 flat angles P-C4'-P energy: -70.214 tors. eta vs tors. theta energy: -163.782 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: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1623.744117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.744117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.744117 (E_RNA) where: Base-Base interactions energy: -1069.881 where: short stacking energy: -489.942 Base-Backbone interact. energy: -1.595 local terms energy: -552.267881 where: bonds (distance) C4'-P energy: -113.066 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -130.344 flat angles P-C4'-P energy: -73.517 tors. eta vs tors. theta energy: -129.885 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: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1013.259997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.259997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.259997 (E_RNA) where: Base-Base interactions energy: -559.111 where: short stacking energy: -297.069 Base-Backbone interact. energy: -1.555 local terms energy: -452.593713 where: bonds (distance) C4'-P energy: -110.487 bonds (distance) P-C4' energy: -119.045 flat angles C4'-P-C4' energy: -101.781 flat angles P-C4'-P energy: -76.998 tors. eta vs tors. theta energy: -44.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -896.158132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.158132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.158132 (E_RNA) where: Base-Base interactions energy: -472.130 where: short stacking energy: -266.578 Base-Backbone interact. energy: 0.757 local terms energy: -424.785114 where: bonds (distance) C4'-P energy: -99.457 bonds (distance) P-C4' energy: -125.030 flat angles C4'-P-C4' energy: -109.552 flat angles P-C4'-P energy: -66.978 tors. eta vs tors. theta energy: -23.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -640.831263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.831263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.831263 (E_RNA) where: Base-Base interactions energy: -299.210 where: short stacking energy: -182.251 Base-Backbone interact. energy: 0.386 local terms energy: -342.006805 where: bonds (distance) C4'-P energy: -98.480 bonds (distance) P-C4' energy: -102.878 flat angles C4'-P-C4' energy: -81.094 flat angles P-C4'-P energy: -61.919 tors. eta vs tors. theta energy: 2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -474.791604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.791604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.791604 (E_RNA) where: Base-Base interactions energy: -163.755 where: short stacking energy: -157.388 Base-Backbone interact. energy: 3.239 local terms energy: -314.275653 where: bonds (distance) C4'-P energy: -95.954 bonds (distance) P-C4' energy: -109.880 flat angles C4'-P-C4' energy: -91.671 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: 28.226 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2211.545804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.545804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.545804 (E_RNA) where: Base-Base interactions energy: -1519.910 where: short stacking energy: -640.566 Base-Backbone interact. energy: 2.652 local terms energy: -694.288576 where: bonds (distance) C4'-P energy: -136.709 bonds (distance) P-C4' energy: -133.079 flat angles C4'-P-C4' energy: -145.567 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -184.844 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: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2114.993484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.993484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.993484 (E_RNA) where: Base-Base interactions energy: -1471.444 where: short stacking energy: -611.263 Base-Backbone interact. energy: -1.366 local terms energy: -642.183682 where: bonds (distance) C4'-P energy: -122.937 bonds (distance) P-C4' energy: -122.201 flat angles C4'-P-C4' energy: -124.161 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -186.779 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: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2046.584013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.584013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.584013 (E_RNA) where: Base-Base interactions energy: -1388.790 where: short stacking energy: -599.591 Base-Backbone interact. energy: -5.036 local terms energy: -652.757436 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -121.947 flat angles C4'-P-C4' energy: -156.675 flat angles P-C4'-P energy: -96.704 tors. eta vs tors. theta energy: -163.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1849.744854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.744854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.744854 (E_RNA) where: Base-Base interactions energy: -1244.236 where: short stacking energy: -542.113 Base-Backbone interact. energy: -1.681 local terms energy: -603.827883 where: bonds (distance) C4'-P energy: -119.372 bonds (distance) P-C4' energy: -124.481 flat angles C4'-P-C4' energy: -138.057 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -143.627 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: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1794.406343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.406343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.406343 (E_RNA) where: Base-Base interactions energy: -1193.958 where: short stacking energy: -540.579 Base-Backbone interact. energy: -3.873 local terms energy: -596.575593 where: bonds (distance) C4'-P energy: -109.849 bonds (distance) P-C4' energy: -106.584 flat angles C4'-P-C4' energy: -134.456 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -158.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1624.543884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.543884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.543884 (E_RNA) where: Base-Base interactions energy: -1081.262 where: short stacking energy: -499.769 Base-Backbone interact. energy: -2.696 local terms energy: -540.585973 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -101.620 flat angles C4'-P-C4' energy: -115.614 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -142.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1071.113075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.113075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.113075 (E_RNA) where: Base-Base interactions energy: -632.136 where: short stacking energy: -302.025 Base-Backbone interact. energy: -0.887 local terms energy: -438.090165 where: bonds (distance) C4'-P energy: -99.215 bonds (distance) P-C4' energy: -108.089 flat angles C4'-P-C4' energy: -103.938 flat angles P-C4'-P energy: -79.887 tors. eta vs tors. theta energy: -46.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -928.071803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.071803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.071803 (E_RNA) where: Base-Base interactions energy: -485.003 where: short stacking energy: -279.460 Base-Backbone interact. energy: -0.761 local terms energy: -442.307426 where: bonds (distance) C4'-P energy: -110.727 bonds (distance) P-C4' energy: -107.082 flat angles C4'-P-C4' energy: -103.541 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -55.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -606.494708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.494708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.494708 (E_RNA) where: Base-Base interactions energy: -254.887 where: short stacking energy: -183.952 Base-Backbone interact. energy: 1.130 local terms energy: -352.737964 where: bonds (distance) C4'-P energy: -104.787 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -95.794 flat angles P-C4'-P energy: -59.086 tors. eta vs tors. theta energy: 12.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -552.596627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.596627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.596627 (E_RNA) where: Base-Base interactions energy: -238.898 where: short stacking energy: -161.985 Base-Backbone interact. energy: -3.931 local terms energy: -309.767471 where: bonds (distance) C4'-P energy: -87.671 bonds (distance) P-C4' energy: -113.235 flat angles C4'-P-C4' energy: -86.403 flat angles P-C4'-P energy: -27.336 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: 278 Temperature: 0.900000 Total energy: -2217.451775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.451775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.451775 (E_RNA) where: Base-Base interactions energy: -1547.989 where: short stacking energy: -667.286 Base-Backbone interact. energy: -0.514 local terms energy: -668.948396 where: bonds (distance) C4'-P energy: -116.835 bonds (distance) P-C4' energy: -138.054 flat angles C4'-P-C4' energy: -142.082 flat angles P-C4'-P energy: -89.680 tors. eta vs tors. theta energy: -182.298 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: 278 Temperature: 0.950000 Total energy: -2102.707310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.707310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.707310 (E_RNA) where: Base-Base interactions energy: -1477.153 where: short stacking energy: -623.247 Base-Backbone interact. energy: -3.054 local terms energy: -622.500079 where: bonds (distance) C4'-P energy: -105.564 bonds (distance) P-C4' energy: -114.260 flat angles C4'-P-C4' energy: -134.989 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -173.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2047.645257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.645257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.645257 (E_RNA) where: Base-Base interactions energy: -1415.004 where: short stacking energy: -589.185 Base-Backbone interact. energy: -1.704 local terms energy: -630.937046 where: bonds (distance) C4'-P energy: -128.483 bonds (distance) P-C4' energy: -124.342 flat angles C4'-P-C4' energy: -136.348 flat angles P-C4'-P energy: -81.095 tors. eta vs tors. theta energy: -160.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1905.632854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.632854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.632854 (E_RNA) where: Base-Base interactions energy: -1297.179 where: short stacking energy: -564.082 Base-Backbone interact. energy: -2.956 local terms energy: -605.497858 where: bonds (distance) C4'-P energy: -110.904 bonds (distance) P-C4' energy: -128.454 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -78.829 tors. eta vs tors. theta energy: -155.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1822.058096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.058096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.058096 (E_RNA) where: Base-Base interactions energy: -1217.884 where: short stacking energy: -542.333 Base-Backbone interact. energy: -0.298 local terms energy: -603.876024 where: bonds (distance) C4'-P energy: -102.293 bonds (distance) P-C4' energy: -122.619 flat angles C4'-P-C4' energy: -129.651 flat angles P-C4'-P energy: -83.276 tors. eta vs tors. theta energy: -166.036 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: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1643.571465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.571465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.571465 (E_RNA) where: Base-Base interactions energy: -1078.025 where: short stacking energy: -470.974 Base-Backbone interact. energy: -1.548 local terms energy: -563.997748 where: bonds (distance) C4'-P energy: -120.946 bonds (distance) P-C4' energy: -112.113 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -78.490 tors. eta vs tors. theta energy: -127.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1021.440905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.440905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.440905 (E_RNA) where: Base-Base interactions energy: -595.960 where: short stacking energy: -302.551 Base-Backbone interact. energy: -1.276 local terms energy: -424.205434 where: bonds (distance) C4'-P energy: -113.821 bonds (distance) P-C4' energy: -105.995 flat angles C4'-P-C4' energy: -104.314 flat angles P-C4'-P energy: -61.211 tors. eta vs tors. theta energy: -38.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -902.780769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.780769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.780769 (E_RNA) where: Base-Base interactions energy: -459.903 where: short stacking energy: -279.548 Base-Backbone interact. energy: -2.465 local terms energy: -440.413269 where: bonds (distance) C4'-P energy: -102.070 bonds (distance) P-C4' energy: -123.224 flat angles C4'-P-C4' energy: -110.841 flat angles P-C4'-P energy: -63.486 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: 9, replica: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -575.342609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.342609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.342609 (E_RNA) where: Base-Base interactions energy: -252.902 where: short stacking energy: -176.406 Base-Backbone interact. energy: 5.831 local terms energy: -328.270755 where: bonds (distance) C4'-P energy: -96.245 bonds (distance) P-C4' energy: -119.444 flat angles C4'-P-C4' energy: -73.466 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: 13.161 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: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -579.051452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.051452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.051452 (E_RNA) where: Base-Base interactions energy: -273.835 where: short stacking energy: -163.275 Base-Backbone interact. energy: -4.057 local terms energy: -301.158773 where: bonds (distance) C4'-P energy: -98.346 bonds (distance) P-C4' energy: -104.193 flat angles C4'-P-C4' energy: -70.639 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: 24.483 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: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2205.613606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.613606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.613606 (E_RNA) where: Base-Base interactions energy: -1532.791 where: short stacking energy: -647.249 Base-Backbone interact. energy: 0.076 local terms energy: -672.898972 where: bonds (distance) C4'-P energy: -118.315 bonds (distance) P-C4' energy: -120.127 flat angles C4'-P-C4' energy: -141.575 flat angles P-C4'-P energy: -93.430 tors. eta vs tors. theta energy: -199.453 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: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2112.949400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.949400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.949400 (E_RNA) where: Base-Base interactions energy: -1455.589 where: short stacking energy: -627.884 Base-Backbone interact. energy: -1.852 local terms energy: -655.508738 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -110.202 flat angles C4'-P-C4' energy: -148.243 flat angles P-C4'-P energy: -97.473 tors. eta vs tors. theta energy: -181.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2007.163246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.163246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.163246 (E_RNA) where: Base-Base interactions energy: -1397.467 where: short stacking energy: -584.097 Base-Backbone interact. energy: -3.281 local terms energy: -606.415167 where: bonds (distance) C4'-P energy: -110.552 bonds (distance) P-C4' energy: -126.789 flat angles C4'-P-C4' energy: -136.568 flat angles P-C4'-P energy: -75.567 tors. eta vs tors. theta energy: -156.938 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: 279 Temperature: 1.050000 Total energy: -1873.445289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.445289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.445289 (E_RNA) where: Base-Base interactions energy: -1260.801 where: short stacking energy: -557.293 Base-Backbone interact. energy: -4.403 local terms energy: -608.240582 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -126.098 flat angles C4'-P-C4' energy: -119.179 flat angles P-C4'-P energy: -82.417 tors. eta vs tors. theta energy: -164.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1851.028464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.028464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.028464 (E_RNA) where: Base-Base interactions energy: -1239.880 where: short stacking energy: -533.905 Base-Backbone interact. energy: -2.632 local terms energy: -608.516554 where: bonds (distance) C4'-P energy: -97.401 bonds (distance) P-C4' energy: -121.499 flat angles C4'-P-C4' energy: -130.573 flat angles P-C4'-P energy: -90.739 tors. eta vs tors. theta energy: -168.305 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: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1652.397957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.397957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.397957 (E_RNA) where: Base-Base interactions energy: -1101.824 where: short stacking energy: -469.834 Base-Backbone interact. energy: 1.588 local terms energy: -552.162589 where: bonds (distance) C4'-P energy: -113.629 bonds (distance) P-C4' energy: -115.196 flat angles C4'-P-C4' energy: -107.032 flat angles P-C4'-P energy: -83.428 tors. eta vs tors. theta energy: -132.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1085.276252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.276252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.276252 (E_RNA) where: Base-Base interactions energy: -640.033 where: short stacking energy: -321.681 Base-Backbone interact. energy: 0.573 local terms energy: -445.816238 where: bonds (distance) C4'-P energy: -101.619 bonds (distance) P-C4' energy: -124.165 flat angles C4'-P-C4' energy: -93.531 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -53.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -848.645068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.645068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.645068 (E_RNA) where: Base-Base interactions energy: -430.446 where: short stacking energy: -240.161 Base-Backbone interact. energy: -1.318 local terms energy: -416.880907 where: bonds (distance) C4'-P energy: -125.879 bonds (distance) P-C4' energy: -113.070 flat angles C4'-P-C4' energy: -114.149 flat angles P-C4'-P energy: -36.907 tors. eta vs tors. theta energy: -26.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -664.011569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.011569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.011569 (E_RNA) where: Base-Base interactions energy: -301.044 where: short stacking energy: -201.578 Base-Backbone interact. energy: -0.753 local terms energy: -362.214640 where: bonds (distance) C4'-P energy: -96.181 bonds (distance) P-C4' energy: -111.308 flat angles C4'-P-C4' energy: -97.334 flat angles P-C4'-P energy: -47.868 tors. eta vs tors. theta energy: -9.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -527.373841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.373841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.373841 (E_RNA) where: Base-Base interactions energy: -230.702 where: short stacking energy: -125.538 Base-Backbone interact. energy: 8.299 local terms energy: -304.971352 where: bonds (distance) C4'-P energy: -98.228 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -71.008 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: 25.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2188.016141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.016141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.016141 (E_RNA) where: Base-Base interactions energy: -1522.235 where: short stacking energy: -628.621 Base-Backbone interact. energy: -2.447 local terms energy: -663.334196 where: bonds (distance) C4'-P energy: -123.577 bonds (distance) P-C4' energy: -119.843 flat angles C4'-P-C4' energy: -150.453 flat angles P-C4'-P energy: -87.301 tors. eta vs tors. theta energy: -182.161 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: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2169.391967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.391967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.391967 (E_RNA) where: Base-Base interactions energy: -1498.239 where: short stacking energy: -645.289 Base-Backbone interact. energy: -2.032 local terms energy: -669.120775 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -129.793 flat angles C4'-P-C4' energy: -144.930 flat angles P-C4'-P energy: -96.101 tors. eta vs tors. theta energy: -182.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2027.373255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.373255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.373255 (E_RNA) where: Base-Base interactions energy: -1401.390 where: short stacking energy: -587.569 Base-Backbone interact. energy: -0.668 local terms energy: -625.315769 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -135.211 flat angles C4'-P-C4' energy: -132.481 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -151.323 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: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1867.811044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.811044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.811044 (E_RNA) where: Base-Base interactions energy: -1314.803 where: short stacking energy: -566.337 Base-Backbone interact. energy: 0.195 local terms energy: -553.202946 where: bonds (distance) C4'-P energy: -119.425 bonds (distance) P-C4' energy: -100.477 flat angles C4'-P-C4' energy: -109.869 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: -139.837 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: 280 Temperature: 1.100000 Total energy: -1803.269081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.269081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.269081 (E_RNA) where: Base-Base interactions energy: -1215.370 where: short stacking energy: -572.619 Base-Backbone interact. energy: -2.455 local terms energy: -585.443997 where: bonds (distance) C4'-P energy: -104.179 bonds (distance) P-C4' energy: -114.435 flat angles C4'-P-C4' energy: -123.623 flat angles P-C4'-P energy: -86.364 tors. eta vs tors. theta energy: -156.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1676.850754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.850754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.850754 (E_RNA) where: Base-Base interactions energy: -1123.449 where: short stacking energy: -495.682 Base-Backbone interact. energy: -2.766 local terms energy: -550.636009 where: bonds (distance) C4'-P energy: -116.853 bonds (distance) P-C4' energy: -104.861 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -72.586 tors. eta vs tors. theta energy: -126.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1078.626193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.626193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.626193 (E_RNA) where: Base-Base interactions energy: -662.351 where: short stacking energy: -326.182 Base-Backbone interact. energy: 0.713 local terms energy: -416.988300 where: bonds (distance) C4'-P energy: -97.668 bonds (distance) P-C4' energy: -110.600 flat angles C4'-P-C4' energy: -95.105 flat angles P-C4'-P energy: -68.747 tors. eta vs tors. theta energy: -44.869 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: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -868.831443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.831443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.831443 (E_RNA) where: Base-Base interactions energy: -513.612 where: short stacking energy: -291.737 Base-Backbone interact. energy: -1.454 local terms energy: -353.765063 where: bonds (distance) C4'-P energy: -105.700 bonds (distance) P-C4' energy: -89.324 flat angles C4'-P-C4' energy: -86.134 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -34.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -639.654321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.654321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.654321 (E_RNA) where: Base-Base interactions energy: -308.047 where: short stacking energy: -188.297 Base-Backbone interact. energy: 0.662 local terms energy: -332.268840 where: bonds (distance) C4'-P energy: -102.484 bonds (distance) P-C4' energy: -100.346 flat angles C4'-P-C4' energy: -82.511 flat angles P-C4'-P energy: -55.842 tors. eta vs tors. theta energy: 8.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -572.955825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.955825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.955825 (E_RNA) where: Base-Base interactions energy: -228.983 where: short stacking energy: -160.270 Base-Backbone interact. energy: -0.280 local terms energy: -343.692741 where: bonds (distance) C4'-P energy: -98.263 bonds (distance) P-C4' energy: -105.418 flat angles C4'-P-C4' energy: -84.612 flat angles P-C4'-P energy: -60.422 tors. eta vs tors. theta energy: 5.022 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: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2192.305561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.305561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.305561 (E_RNA) where: Base-Base interactions energy: -1530.534 where: short stacking energy: -648.934 Base-Backbone interact. energy: -3.322 local terms energy: -658.449746 where: bonds (distance) C4'-P energy: -123.869 bonds (distance) P-C4' energy: -125.834 flat angles C4'-P-C4' energy: -134.001 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -189.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2118.732776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.732776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.732776 (E_RNA) where: Base-Base interactions energy: -1451.214 where: short stacking energy: -615.012 Base-Backbone interact. energy: -1.491 local terms energy: -666.028311 where: bonds (distance) C4'-P energy: -124.342 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -146.062 flat angles P-C4'-P energy: -89.800 tors. eta vs tors. theta energy: -178.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2038.635982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.635982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.635982 (E_RNA) where: Base-Base interactions energy: -1445.210 where: short stacking energy: -577.092 Base-Backbone interact. energy: -2.630 local terms energy: -590.795786 where: bonds (distance) C4'-P energy: -105.102 bonds (distance) P-C4' energy: -102.401 flat angles C4'-P-C4' energy: -135.921 flat angles P-C4'-P energy: -88.791 tors. eta vs tors. theta energy: -158.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1885.909109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.909109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.909109 (E_RNA) where: Base-Base interactions energy: -1298.618 where: short stacking energy: -537.622 Base-Backbone interact. energy: -2.572 local terms energy: -584.719480 where: bonds (distance) C4'-P energy: -116.202 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -127.481 flat angles P-C4'-P energy: -81.191 tors. eta vs tors. theta energy: -145.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1753.180269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.180269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.180269 (E_RNA) where: Base-Base interactions energy: -1195.948 where: short stacking energy: -531.233 Base-Backbone interact. energy: -0.901 local terms energy: -556.330889 where: bonds (distance) C4'-P energy: -115.774 bonds (distance) P-C4' energy: -89.122 flat angles C4'-P-C4' energy: -117.650 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -145.545 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: 281 Temperature: 1.150000 Total energy: -1553.312007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.312007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.312007 (E_RNA) where: Base-Base interactions energy: -1014.870 where: short stacking energy: -450.977 Base-Backbone interact. energy: 5.296 local terms energy: -543.737907 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -111.814 flat angles P-C4'-P energy: -77.271 tors. eta vs tors. theta energy: -114.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1096.882369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.882369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.882369 (E_RNA) where: Base-Base interactions energy: -645.224 where: short stacking energy: -305.622 Base-Backbone interact. energy: -5.082 local terms energy: -446.576912 where: bonds (distance) C4'-P energy: -110.126 bonds (distance) P-C4' energy: -110.541 flat angles C4'-P-C4' energy: -94.993 flat angles P-C4'-P energy: -79.522 tors. eta vs tors. theta energy: -51.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -890.560952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.560952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.560952 (E_RNA) where: Base-Base interactions energy: -477.581 where: short stacking energy: -273.001 Base-Backbone interact. energy: -2.747 local terms energy: -410.232174 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -91.104 flat angles P-C4'-P energy: -52.656 tors. eta vs tors. theta energy: -40.418 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: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -672.481612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.481612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.481612 (E_RNA) where: Base-Base interactions energy: -317.804 where: short stacking energy: -196.934 Base-Backbone interact. energy: -1.575 local terms energy: -353.102620 where: bonds (distance) C4'-P energy: -107.731 bonds (distance) P-C4' energy: -107.656 flat angles C4'-P-C4' energy: -79.222 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: 5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -599.264000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.264000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.264000 (E_RNA) where: Base-Base interactions energy: -287.874 where: short stacking energy: -170.790 Base-Backbone interact. energy: -3.987 local terms energy: -307.402740 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -97.769 flat angles C4'-P-C4' energy: -101.331 flat angles P-C4'-P energy: -27.257 tors. eta vs tors. theta energy: 8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2199.795887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.795887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.795887 (E_RNA) where: Base-Base interactions energy: -1541.084 where: short stacking energy: -643.995 Base-Backbone interact. energy: -5.180 local terms energy: -653.532004 where: bonds (distance) C4'-P energy: -113.211 bonds (distance) P-C4' energy: -120.731 flat angles C4'-P-C4' energy: -138.909 flat angles P-C4'-P energy: -86.229 tors. eta vs tors. theta energy: -194.451 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2116.989638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.989638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.989638 (E_RNA) where: Base-Base interactions energy: -1468.496 where: short stacking energy: -617.500 Base-Backbone interact. energy: -1.511 local terms energy: -646.982337 where: bonds (distance) C4'-P energy: -124.459 bonds (distance) P-C4' energy: -120.121 flat angles C4'-P-C4' energy: -138.671 flat angles P-C4'-P energy: -86.932 tors. eta vs tors. theta energy: -176.800 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: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2031.111698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.111698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.111698 (E_RNA) where: Base-Base interactions energy: -1430.424 where: short stacking energy: -578.688 Base-Backbone interact. energy: -0.018 local terms energy: -600.669081 where: bonds (distance) C4'-P energy: -113.771 bonds (distance) P-C4' energy: -115.868 flat angles C4'-P-C4' energy: -135.627 flat angles P-C4'-P energy: -80.665 tors. eta vs tors. theta energy: -154.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1846.096574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.096574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.096574 (E_RNA) where: Base-Base interactions energy: -1257.585 where: short stacking energy: -526.527 Base-Backbone interact. energy: -2.812 local terms energy: -585.699677 where: bonds (distance) C4'-P energy: -110.725 bonds (distance) P-C4' energy: -119.348 flat angles C4'-P-C4' energy: -135.003 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: -137.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1803.957927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.957927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.957927 (E_RNA) where: Base-Base interactions energy: -1223.789 where: short stacking energy: -554.479 Base-Backbone interact. energy: 3.052 local terms energy: -583.221498 where: bonds (distance) C4'-P energy: -105.608 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -129.746 flat angles P-C4'-P energy: -83.392 tors. eta vs tors. theta energy: -154.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1601.878773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.878773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.878773 (E_RNA) where: Base-Base interactions energy: -1065.225 where: short stacking energy: -480.495 Base-Backbone interact. energy: -0.206 local terms energy: -536.447743 where: bonds (distance) C4'-P energy: -116.259 bonds (distance) P-C4' energy: -113.287 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -64.270 tors. eta vs tors. theta energy: -117.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1176.298014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.298014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.298014 (E_RNA) where: Base-Base interactions energy: -698.626 where: short stacking energy: -334.370 Base-Backbone interact. energy: -1.579 local terms energy: -476.092840 where: bonds (distance) C4'-P energy: -126.400 bonds (distance) P-C4' energy: -105.877 flat angles C4'-P-C4' energy: -116.461 flat angles P-C4'-P energy: -71.368 tors. eta vs tors. theta energy: -55.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -824.339883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.339883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.339883 (E_RNA) where: Base-Base interactions energy: -453.880 where: short stacking energy: -233.043 Base-Backbone interact. energy: 6.973 local terms energy: -377.432263 where: bonds (distance) C4'-P energy: -103.177 bonds (distance) P-C4' energy: -102.548 flat angles C4'-P-C4' energy: -92.770 flat angles P-C4'-P energy: -63.491 tors. eta vs tors. theta energy: -15.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -723.342692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.342692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.342692 (E_RNA) where: Base-Base interactions energy: -346.061 where: short stacking energy: -203.174 Base-Backbone interact. energy: 0.110 local terms energy: -377.391794 where: bonds (distance) C4'-P energy: -112.121 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -89.930 flat angles P-C4'-P energy: -66.054 tors. eta vs tors. theta energy: 3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -621.157180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.157180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.157180 (E_RNA) where: Base-Base interactions energy: -283.223 where: short stacking energy: -165.751 Base-Backbone interact. energy: -3.978 local terms energy: -333.956604 where: bonds (distance) C4'-P energy: -106.887 bonds (distance) P-C4' energy: -121.454 flat angles C4'-P-C4' energy: -73.842 flat angles P-C4'-P energy: -39.320 tors. eta vs tors. theta energy: 7.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2217.839847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.839847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.839847 (E_RNA) where: Base-Base interactions energy: -1524.788 where: short stacking energy: -650.801 Base-Backbone interact. energy: -2.001 local terms energy: -691.050699 where: bonds (distance) C4'-P energy: -119.830 bonds (distance) P-C4' energy: -132.862 flat angles C4'-P-C4' energy: -144.933 flat angles P-C4'-P energy: -92.127 tors. eta vs tors. theta energy: -201.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2120.661158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.661158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.661158 (E_RNA) where: Base-Base interactions energy: -1475.198 where: short stacking energy: -626.055 Base-Backbone interact. energy: -1.007 local terms energy: -644.456056 where: bonds (distance) C4'-P energy: -127.064 bonds (distance) P-C4' energy: -111.239 flat angles C4'-P-C4' energy: -135.061 flat angles P-C4'-P energy: -89.290 tors. eta vs tors. theta energy: -181.803 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: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2023.451342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.451342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.451342 (E_RNA) where: Base-Base interactions energy: -1414.650 where: short stacking energy: -579.858 Base-Backbone interact. energy: -6.010 local terms energy: -602.791231 where: bonds (distance) C4'-P energy: -105.325 bonds (distance) P-C4' energy: -126.363 flat angles C4'-P-C4' energy: -128.148 flat angles P-C4'-P energy: -85.735 tors. eta vs tors. theta energy: -157.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1833.019749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.019749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.019749 (E_RNA) where: Base-Base interactions energy: -1230.539 where: short stacking energy: -518.133 Base-Backbone interact. energy: -3.122 local terms energy: -599.359246 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -112.261 flat angles C4'-P-C4' energy: -134.460 flat angles P-C4'-P energy: -90.803 tors. eta vs tors. theta energy: -140.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1777.323952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.323952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.323952 (E_RNA) where: Base-Base interactions energy: -1202.261 where: short stacking energy: -551.348 Base-Backbone interact. energy: 3.550 local terms energy: -578.613248 where: bonds (distance) C4'-P energy: -106.762 bonds (distance) P-C4' energy: -113.670 flat angles C4'-P-C4' energy: -123.714 flat angles P-C4'-P energy: -76.400 tors. eta vs tors. theta energy: -158.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1544.831764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.831764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.831764 (E_RNA) where: Base-Base interactions energy: -1008.272 where: short stacking energy: -443.034 Base-Backbone interact. energy: -3.630 local terms energy: -532.930462 where: bonds (distance) C4'-P energy: -93.511 bonds (distance) P-C4' energy: -130.301 flat angles C4'-P-C4' energy: -104.719 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -124.928 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: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1156.595756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.595756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.595756 (E_RNA) where: Base-Base interactions energy: -700.425 where: short stacking energy: -343.387 Base-Backbone interact. energy: 8.717 local terms energy: -464.888448 where: bonds (distance) C4'-P energy: -113.247 bonds (distance) P-C4' energy: -117.719 flat angles C4'-P-C4' energy: -103.823 flat angles P-C4'-P energy: -75.015 tors. eta vs tors. theta energy: -55.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -826.000842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.000842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.000842 (E_RNA) where: Base-Base interactions energy: -443.970 where: short stacking energy: -218.201 Base-Backbone interact. energy: -0.051 local terms energy: -381.979710 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -103.590 flat angles C4'-P-C4' energy: -101.838 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: 4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -689.946164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.946164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.946164 (E_RNA) where: Base-Base interactions energy: -341.875 where: short stacking energy: -198.060 Base-Backbone interact. energy: -1.430 local terms energy: -346.641306 where: bonds (distance) C4'-P energy: -98.550 bonds (distance) P-C4' energy: -112.623 flat angles C4'-P-C4' energy: -101.580 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: 4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -578.743161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.743161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.743161 (E_RNA) where: Base-Base interactions energy: -242.687 where: short stacking energy: -180.461 Base-Backbone interact. energy: 10.202 local terms energy: -346.258128 where: bonds (distance) C4'-P energy: -95.463 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -91.609 flat angles P-C4'-P energy: -61.022 tors. eta vs tors. theta energy: 13.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2223.250601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.250601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.250601 (E_RNA) where: Base-Base interactions energy: -1516.387 where: short stacking energy: -668.871 Base-Backbone interact. energy: -2.096 local terms energy: -704.767634 where: bonds (distance) C4'-P energy: -122.547 bonds (distance) P-C4' energy: -125.077 flat angles C4'-P-C4' energy: -146.276 flat angles P-C4'-P energy: -101.460 tors. eta vs tors. theta energy: -209.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2146.834321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.834321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.834321 (E_RNA) where: Base-Base interactions energy: -1492.931 where: short stacking energy: -641.575 Base-Backbone interact. energy: -6.016 local terms energy: -647.887111 where: bonds (distance) C4'-P energy: -101.131 bonds (distance) P-C4' energy: -136.725 flat angles C4'-P-C4' energy: -140.685 flat angles P-C4'-P energy: -86.115 tors. eta vs tors. theta energy: -183.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2045.909002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.909002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.909002 (E_RNA) where: Base-Base interactions energy: -1410.334 where: short stacking energy: -566.573 Base-Backbone interact. energy: -5.729 local terms energy: -629.846487 where: bonds (distance) C4'-P energy: -118.169 bonds (distance) P-C4' energy: -132.345 flat angles C4'-P-C4' energy: -133.424 flat angles P-C4'-P energy: -90.498 tors. eta vs tors. theta energy: -155.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1852.877724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.877724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.877724 (E_RNA) where: Base-Base interactions energy: -1268.600 where: short stacking energy: -570.392 Base-Backbone interact. energy: -0.390 local terms energy: -583.886902 where: bonds (distance) C4'-P energy: -105.950 bonds (distance) P-C4' energy: -116.766 flat angles C4'-P-C4' energy: -127.161 flat angles P-C4'-P energy: -88.103 tors. eta vs tors. theta energy: -145.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1796.479648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.479648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.479648 (E_RNA) where: Base-Base interactions energy: -1217.673 where: short stacking energy: -523.187 Base-Backbone interact. energy: -1.807 local terms energy: -576.999370 where: bonds (distance) C4'-P energy: -107.046 bonds (distance) P-C4' energy: -115.380 flat angles C4'-P-C4' energy: -133.217 flat angles P-C4'-P energy: -73.294 tors. eta vs tors. theta energy: -148.062 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: 284 Temperature: 1.150000 Total energy: -1546.479727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.479727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.479727 (E_RNA) where: Base-Base interactions energy: -1011.950 where: short stacking energy: -465.219 Base-Backbone interact. energy: 0.360 local terms energy: -534.889054 where: bonds (distance) C4'-P energy: -120.385 bonds (distance) P-C4' energy: -112.871 flat angles C4'-P-C4' energy: -107.925 flat angles P-C4'-P energy: -71.974 tors. eta vs tors. theta energy: -121.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1205.716403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.716403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.716403 (E_RNA) where: Base-Base interactions energy: -762.621 where: short stacking energy: -351.944 Base-Backbone interact. energy: -3.903 local terms energy: -439.191945 where: bonds (distance) C4'-P energy: -100.621 bonds (distance) P-C4' energy: -110.587 flat angles C4'-P-C4' energy: -92.151 flat angles P-C4'-P energy: -52.891 tors. eta vs tors. theta energy: -82.941 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: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -964.798972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.798972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.798972 (E_RNA) where: Base-Base interactions energy: -544.468 where: short stacking energy: -293.269 Base-Backbone interact. energy: 1.894 local terms energy: -422.224563 where: bonds (distance) C4'-P energy: -91.456 bonds (distance) P-C4' energy: -112.113 flat angles C4'-P-C4' energy: -105.665 flat angles P-C4'-P energy: -64.864 tors. eta vs tors. theta energy: -48.127 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: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -703.177617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.177617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.177617 (E_RNA) where: Base-Base interactions energy: -294.812 where: short stacking energy: -168.321 Base-Backbone interact. energy: -2.322 local terms energy: -406.043059 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -130.603 flat angles C4'-P-C4' energy: -84.949 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -558.818785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.818785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.818785 (E_RNA) where: Base-Base interactions energy: -213.498 where: short stacking energy: -156.450 Base-Backbone interact. energy: -1.244 local terms energy: -344.076292 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -94.472 flat angles C4'-P-C4' energy: -92.232 flat angles P-C4'-P energy: -58.961 tors. eta vs tors. theta energy: 17.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2215.145139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.145139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.145139 (E_RNA) where: Base-Base interactions energy: -1518.217 where: short stacking energy: -638.909 Base-Backbone interact. energy: -4.176 local terms energy: -692.751539 where: bonds (distance) C4'-P energy: -118.566 bonds (distance) P-C4' energy: -124.131 flat angles C4'-P-C4' energy: -154.797 flat angles P-C4'-P energy: -100.953 tors. eta vs tors. theta energy: -194.305 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: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2148.759224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.759224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.759224 (E_RNA) where: Base-Base interactions energy: -1507.658 where: short stacking energy: -647.935 Base-Backbone interact. energy: -1.363 local terms energy: -639.738609 where: bonds (distance) C4'-P energy: -117.267 bonds (distance) P-C4' energy: -110.580 flat angles C4'-P-C4' energy: -137.238 flat angles P-C4'-P energy: -96.216 tors. eta vs tors. theta energy: -178.437 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: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2021.272369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.272369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.272369 (E_RNA) where: Base-Base interactions energy: -1389.695 where: short stacking energy: -574.013 Base-Backbone interact. energy: -0.624 local terms energy: -630.952763 where: bonds (distance) C4'-P energy: -120.871 bonds (distance) P-C4' energy: -127.751 flat angles C4'-P-C4' energy: -130.771 flat angles P-C4'-P energy: -93.644 tors. eta vs tors. theta energy: -157.917 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: 285 Temperature: 1.050000 Total energy: -1848.520157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.520157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.520157 (E_RNA) where: Base-Base interactions energy: -1259.082 where: short stacking energy: -538.516 Base-Backbone interact. energy: 1.943 local terms energy: -591.381746 where: bonds (distance) C4'-P energy: -116.156 bonds (distance) P-C4' energy: -117.602 flat angles C4'-P-C4' energy: -130.359 flat angles P-C4'-P energy: -84.572 tors. eta vs tors. theta energy: -142.693 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: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1759.806528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.806528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.806528 (E_RNA) where: Base-Base interactions energy: -1169.929 where: short stacking energy: -501.805 Base-Backbone interact. energy: -3.953 local terms energy: -585.923943 where: bonds (distance) C4'-P energy: -124.645 bonds (distance) P-C4' energy: -124.110 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -141.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1572.319491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.319491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.319491 (E_RNA) where: Base-Base interactions energy: -1044.903 where: short stacking energy: -459.329 Base-Backbone interact. energy: 0.546 local terms energy: -527.962530 where: bonds (distance) C4'-P energy: -106.191 bonds (distance) P-C4' energy: -114.428 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -78.052 tors. eta vs tors. theta energy: -116.131 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: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1223.403243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.403243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.403243 (E_RNA) where: Base-Base interactions energy: -742.428 where: short stacking energy: -369.197 Base-Backbone interact. energy: -3.241 local terms energy: -477.734569 where: bonds (distance) C4'-P energy: -113.614 bonds (distance) P-C4' energy: -103.985 flat angles C4'-P-C4' energy: -119.257 flat angles P-C4'-P energy: -66.524 tors. eta vs tors. theta energy: -74.354 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: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -866.550820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.550820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.550820 (E_RNA) where: Base-Base interactions energy: -462.430 where: short stacking energy: -243.497 Base-Backbone interact. energy: 0.579 local terms energy: -404.700001 where: bonds (distance) C4'-P energy: -102.678 bonds (distance) P-C4' energy: -113.382 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -4.840 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: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -748.455728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.455728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.455728 (E_RNA) where: Base-Base interactions energy: -367.308 where: short stacking energy: -207.665 Base-Backbone interact. energy: 6.618 local terms energy: -387.766338 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -99.194 flat angles C4'-P-C4' energy: -101.961 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: -12.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -610.967534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.967534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.967534 (E_RNA) where: Base-Base interactions energy: -292.975 where: short stacking energy: -170.015 Base-Backbone interact. energy: 1.108 local terms energy: -319.100432 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -115.096 flat angles C4'-P-C4' energy: -66.095 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: 3.812 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: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2205.885277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.885277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.885277 (E_RNA) where: Base-Base interactions energy: -1537.592 where: short stacking energy: -648.311 Base-Backbone interact. energy: 0.425 local terms energy: -668.718567 where: bonds (distance) C4'-P energy: -121.882 bonds (distance) P-C4' energy: -113.180 flat angles C4'-P-C4' energy: -136.675 flat angles P-C4'-P energy: -93.779 tors. eta vs tors. theta energy: -203.202 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: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2150.526327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.526327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.526327 (E_RNA) where: Base-Base interactions energy: -1502.530 where: short stacking energy: -640.481 Base-Backbone interact. energy: -3.658 local terms energy: -644.338059 where: bonds (distance) C4'-P energy: -117.614 bonds (distance) P-C4' energy: -110.758 flat angles C4'-P-C4' energy: -140.637 flat angles P-C4'-P energy: -87.363 tors. eta vs tors. theta energy: -187.966 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: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2005.368145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.368145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.368145 (E_RNA) where: Base-Base interactions energy: -1379.729 where: short stacking energy: -600.504 Base-Backbone interact. energy: -0.532 local terms energy: -625.106762 where: bonds (distance) C4'-P energy: -116.540 bonds (distance) P-C4' energy: -128.729 flat angles C4'-P-C4' energy: -136.513 flat angles P-C4'-P energy: -84.051 tors. eta vs tors. theta energy: -159.273 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: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1874.238630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.238630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.238630 (E_RNA) where: Base-Base interactions energy: -1271.065 where: short stacking energy: -543.256 Base-Backbone interact. energy: -3.010 local terms energy: -600.164107 where: bonds (distance) C4'-P energy: -110.209 bonds (distance) P-C4' energy: -116.218 flat angles C4'-P-C4' energy: -140.549 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -141.561 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: 286 Temperature: 1.100000 Total energy: -1796.185420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.185420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.185420 (E_RNA) where: Base-Base interactions energy: -1205.729 where: short stacking energy: -546.700 Base-Backbone interact. energy: -1.611 local terms energy: -588.845461 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -109.562 flat angles C4'-P-C4' energy: -121.647 flat angles P-C4'-P energy: -88.503 tors. eta vs tors. theta energy: -165.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1581.924828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.924828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.924828 (E_RNA) where: Base-Base interactions energy: -1036.730 where: short stacking energy: -472.755 Base-Backbone interact. energy: -3.282 local terms energy: -541.912338 where: bonds (distance) C4'-P energy: -112.819 bonds (distance) P-C4' energy: -106.576 flat angles C4'-P-C4' energy: -129.975 flat angles P-C4'-P energy: -66.234 tors. eta vs tors. theta energy: -126.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1197.847363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.847363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.847363 (E_RNA) where: Base-Base interactions energy: -771.606 where: short stacking energy: -329.598 Base-Backbone interact. energy: -3.062 local terms energy: -423.178763 where: bonds (distance) C4'-P energy: -98.185 bonds (distance) P-C4' energy: -123.067 flat angles C4'-P-C4' energy: -91.643 flat angles P-C4'-P energy: -60.957 tors. eta vs tors. theta energy: -49.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -801.209076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.209076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.209076 (E_RNA) where: Base-Base interactions energy: -426.970 where: short stacking energy: -219.885 Base-Backbone interact. energy: 2.372 local terms energy: -376.610901 where: bonds (distance) C4'-P energy: -110.275 bonds (distance) P-C4' energy: -106.452 flat angles C4'-P-C4' energy: -102.574 flat angles P-C4'-P energy: -49.587 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -742.752047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.752047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.752047 (E_RNA) where: Base-Base interactions energy: -359.019 where: short stacking energy: -200.469 Base-Backbone interact. energy: -1.137 local terms energy: -382.596029 where: bonds (distance) C4'-P energy: -110.636 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -113.484 flat angles P-C4'-P energy: -57.246 tors. eta vs tors. theta energy: -7.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -604.760444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.760444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.760444 (E_RNA) where: Base-Base interactions energy: -272.643 where: short stacking energy: -149.332 Base-Backbone interact. energy: -1.775 local terms energy: -330.342338 where: bonds (distance) C4'-P energy: -98.207 bonds (distance) P-C4' energy: -111.599 flat angles C4'-P-C4' energy: -108.754 flat angles P-C4'-P energy: -26.532 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2206.032999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.032999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.032999 (E_RNA) where: Base-Base interactions energy: -1529.747 where: short stacking energy: -669.714 Base-Backbone interact. energy: -2.694 local terms energy: -673.592292 where: bonds (distance) C4'-P energy: -99.525 bonds (distance) P-C4' energy: -128.883 flat angles C4'-P-C4' energy: -143.273 flat angles P-C4'-P energy: -97.969 tors. eta vs tors. theta energy: -203.943 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: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2136.144152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.144152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.144152 (E_RNA) where: Base-Base interactions energy: -1469.828 where: short stacking energy: -612.507 Base-Backbone interact. energy: -2.286 local terms energy: -664.030337 where: bonds (distance) C4'-P energy: -131.701 bonds (distance) P-C4' energy: -125.085 flat angles C4'-P-C4' energy: -142.802 flat angles P-C4'-P energy: -87.064 tors. eta vs tors. theta energy: -177.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2009.328885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.328885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.328885 (E_RNA) where: Base-Base interactions energy: -1389.342 where: short stacking energy: -564.613 Base-Backbone interact. energy: -0.120 local terms energy: -619.867173 where: bonds (distance) C4'-P energy: -125.272 bonds (distance) P-C4' energy: -127.352 flat angles C4'-P-C4' energy: -136.644 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -151.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1886.032501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.032501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.032501 (E_RNA) where: Base-Base interactions energy: -1272.110 where: short stacking energy: -565.823 Base-Backbone interact. energy: -2.732 local terms energy: -611.190203 where: bonds (distance) C4'-P energy: -115.079 bonds (distance) P-C4' energy: -110.064 flat angles C4'-P-C4' energy: -135.768 flat angles P-C4'-P energy: -93.912 tors. eta vs tors. theta energy: -156.367 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: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1775.247137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.247137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.247137 (E_RNA) where: Base-Base interactions energy: -1193.537 where: short stacking energy: -541.574 Base-Backbone interact. energy: -0.445 local terms energy: -581.264824 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -118.718 flat angles C4'-P-C4' energy: -131.366 flat angles P-C4'-P energy: -71.492 tors. eta vs tors. theta energy: -151.184 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: 287 Temperature: 1.150000 Total energy: -1520.294988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.294988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.294988 (E_RNA) where: Base-Base interactions energy: -992.562 where: short stacking energy: -468.418 Base-Backbone interact. energy: -3.335 local terms energy: -524.397449 where: bonds (distance) C4'-P energy: -103.722 bonds (distance) P-C4' energy: -92.653 flat angles C4'-P-C4' energy: -125.132 flat angles P-C4'-P energy: -80.782 tors. eta vs tors. theta energy: -122.107 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1201.906232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.906232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.906232 (E_RNA) where: Base-Base interactions energy: -754.140 where: short stacking energy: -377.858 Base-Backbone interact. energy: -0.151 local terms energy: -447.615361 where: bonds (distance) C4'-P energy: -99.850 bonds (distance) P-C4' energy: -110.041 flat angles C4'-P-C4' energy: -101.094 flat angles P-C4'-P energy: -65.262 tors. eta vs tors. theta energy: -71.367 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: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -906.623402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.623402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.623402 (E_RNA) where: Base-Base interactions energy: -508.936 where: short stacking energy: -284.048 Base-Backbone interact. energy: 3.436 local terms energy: -401.123332 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -95.054 flat angles C4'-P-C4' energy: -119.505 flat angles P-C4'-P energy: -40.943 tors. eta vs tors. theta energy: -35.491 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: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -718.068224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.068224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.068224 (E_RNA) where: Base-Base interactions energy: -370.716 where: short stacking energy: -205.801 Base-Backbone interact. energy: -1.223 local terms energy: -346.129243 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -96.873 flat angles C4'-P-C4' energy: -86.577 flat angles P-C4'-P energy: -60.959 tors. eta vs tors. theta energy: -5.366 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: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -585.966208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.966208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.966208 (E_RNA) where: Base-Base interactions energy: -232.802 where: short stacking energy: -145.282 Base-Backbone interact. energy: 1.210 local terms energy: -354.374267 where: bonds (distance) C4'-P energy: -112.765 bonds (distance) P-C4' energy: -119.030 flat angles C4'-P-C4' energy: -104.182 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: 18.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2170.442115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.442115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.442115 (E_RNA) where: Base-Base interactions energy: -1506.888 where: short stacking energy: -621.908 Base-Backbone interact. energy: -2.589 local terms energy: -660.964818 where: bonds (distance) C4'-P energy: -125.986 bonds (distance) P-C4' energy: -127.570 flat angles C4'-P-C4' energy: -138.431 flat angles P-C4'-P energy: -98.910 tors. eta vs tors. theta energy: -170.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2155.991452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.991452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.991452 (E_RNA) where: Base-Base interactions energy: -1472.550 where: short stacking energy: -623.454 Base-Backbone interact. energy: -3.634 local terms energy: -679.807106 where: bonds (distance) C4'-P energy: -125.933 bonds (distance) P-C4' energy: -121.623 flat angles C4'-P-C4' energy: -135.346 flat angles P-C4'-P energy: -106.327 tors. eta vs tors. theta energy: -190.578 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: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2017.192872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.192872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.192872 (E_RNA) where: Base-Base interactions energy: -1401.740 where: short stacking energy: -610.721 Base-Backbone interact. energy: 0.799 local terms energy: -616.251184 where: bonds (distance) C4'-P energy: -122.997 bonds (distance) P-C4' energy: -111.130 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -84.051 tors. eta vs tors. theta energy: -162.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1874.173609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.173609 (E_RNA) where: Base-Base interactions energy: -1276.920 where: short stacking energy: -583.658 Base-Backbone interact. energy: 0.502 local terms energy: -597.755542 where: bonds (distance) C4'-P energy: -121.971 bonds (distance) P-C4' energy: -115.239 flat angles C4'-P-C4' energy: -129.053 flat angles P-C4'-P energy: -80.589 tors. eta vs tors. theta energy: -150.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1830.342781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.342781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.342781 (E_RNA) where: Base-Base interactions energy: -1247.729 where: short stacking energy: -556.966 Base-Backbone interact. energy: -4.577 local terms energy: -578.036336 where: bonds (distance) C4'-P energy: -114.910 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -128.559 flat angles P-C4'-P energy: -68.076 tors. eta vs tors. theta energy: -151.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1557.362330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.362330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.362330 (E_RNA) where: Base-Base interactions energy: -1025.791 where: short stacking energy: -486.539 Base-Backbone interact. energy: -4.355 local terms energy: -527.216076 where: bonds (distance) C4'-P energy: -108.974 bonds (distance) P-C4' energy: -99.804 flat angles C4'-P-C4' energy: -125.318 flat angles P-C4'-P energy: -79.260 tors. eta vs tors. theta energy: -113.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1274.559801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.559801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.559801 (E_RNA) where: Base-Base interactions energy: -803.191 where: short stacking energy: -376.207 Base-Backbone interact. energy: -2.474 local terms energy: -468.894251 where: bonds (distance) C4'-P energy: -112.252 bonds (distance) P-C4' energy: -108.172 flat angles C4'-P-C4' energy: -106.570 flat angles P-C4'-P energy: -62.388 tors. eta vs tors. theta energy: -79.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -933.864785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.864785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.864785 (E_RNA) where: Base-Base interactions energy: -545.437 where: short stacking energy: -290.116 Base-Backbone interact. energy: 5.301 local terms energy: -393.729008 where: bonds (distance) C4'-P energy: -100.990 bonds (distance) P-C4' energy: -112.268 flat angles C4'-P-C4' energy: -104.207 flat angles P-C4'-P energy: -41.333 tors. eta vs tors. theta energy: -34.932 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: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -701.218571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.218571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.218571 (E_RNA) where: Base-Base interactions energy: -331.104 where: short stacking energy: -196.958 Base-Backbone interact. energy: -0.486 local terms energy: -369.628501 where: bonds (distance) C4'-P energy: -123.734 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -51.552 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -643.244696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.244696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.244696 (E_RNA) where: Base-Base interactions energy: -321.218 where: short stacking energy: -188.006 Base-Backbone interact. energy: 3.902 local terms energy: -325.928387 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -116.883 flat angles C4'-P-C4' energy: -82.165 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: 15.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2185.229167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.229167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.229167 (E_RNA) where: Base-Base interactions energy: -1521.146 where: short stacking energy: -609.267 Base-Backbone interact. energy: -2.869 local terms energy: -661.213704 where: bonds (distance) C4'-P energy: -112.977 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -141.918 flat angles P-C4'-P energy: -86.660 tors. eta vs tors. theta energy: -190.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2141.042252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.042252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.042252 (E_RNA) where: Base-Base interactions energy: -1486.208 where: short stacking energy: -643.489 Base-Backbone interact. energy: -2.408 local terms energy: -652.426390 where: bonds (distance) C4'-P energy: -122.025 bonds (distance) P-C4' energy: -108.998 flat angles C4'-P-C4' energy: -133.574 flat angles P-C4'-P energy: -98.780 tors. eta vs tors. theta energy: -189.051 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: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2018.605239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.605239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.605239 (E_RNA) where: Base-Base interactions energy: -1374.306 where: short stacking energy: -565.906 Base-Backbone interact. energy: -4.769 local terms energy: -639.530410 where: bonds (distance) C4'-P energy: -120.022 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -143.479 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -155.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1881.398407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.398407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.398407 (E_RNA) where: Base-Base interactions energy: -1281.220 where: short stacking energy: -553.482 Base-Backbone interact. energy: -0.752 local terms energy: -599.426870 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -99.662 flat angles C4'-P-C4' energy: -131.320 flat angles P-C4'-P energy: -84.103 tors. eta vs tors. theta energy: -164.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1792.348768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.348768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.348768 (E_RNA) where: Base-Base interactions energy: -1203.908 where: short stacking energy: -512.066 Base-Backbone interact. energy: -3.789 local terms energy: -584.652036 where: bonds (distance) C4'-P energy: -116.658 bonds (distance) P-C4' energy: -123.720 flat angles C4'-P-C4' energy: -129.449 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: -135.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1563.191198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.191198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.191198 (E_RNA) where: Base-Base interactions energy: -1013.794 where: short stacking energy: -505.065 Base-Backbone interact. energy: -2.423 local terms energy: -546.974092 where: bonds (distance) C4'-P energy: -98.298 bonds (distance) P-C4' energy: -106.671 flat angles C4'-P-C4' energy: -125.229 flat angles P-C4'-P energy: -78.692 tors. eta vs tors. theta energy: -138.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1201.876841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.876841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.876841 (E_RNA) where: Base-Base interactions energy: -768.842 where: short stacking energy: -374.558 Base-Backbone interact. energy: -1.309 local terms energy: -431.726238 where: bonds (distance) C4'-P energy: -101.160 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -112.133 flat angles P-C4'-P energy: -61.063 tors. eta vs tors. theta energy: -68.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -983.795374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.795374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.795374 (E_RNA) where: Base-Base interactions energy: -543.977 where: short stacking energy: -282.643 Base-Backbone interact. energy: -1.603 local terms energy: -438.215636 where: bonds (distance) C4'-P energy: -120.909 bonds (distance) P-C4' energy: -119.161 flat angles C4'-P-C4' energy: -103.622 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -38.064 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: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -701.657418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.657418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.657418 (E_RNA) where: Base-Base interactions energy: -327.589 where: short stacking energy: -225.741 Base-Backbone interact. energy: 2.649 local terms energy: -376.716911 where: bonds (distance) C4'-P energy: -92.946 bonds (distance) P-C4' energy: -109.082 flat angles C4'-P-C4' energy: -96.775 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -16.526 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: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -664.985750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.985750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.985750 (E_RNA) where: Base-Base interactions energy: -346.076 where: short stacking energy: -189.221 Base-Backbone interact. energy: 3.495 local terms energy: -322.404685 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -103.200 flat angles C4'-P-C4' energy: -98.700 flat angles P-C4'-P energy: -38.073 tors. eta vs tors. theta energy: 1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2176.038695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.038695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.038695 (E_RNA) where: Base-Base interactions energy: -1502.397 where: short stacking energy: -645.031 Base-Backbone interact. energy: -1.466 local terms energy: -672.176204 where: bonds (distance) C4'-P energy: -122.079 bonds (distance) P-C4' energy: -115.119 flat angles C4'-P-C4' energy: -149.577 flat angles P-C4'-P energy: -101.022 tors. eta vs tors. theta energy: -184.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2173.883574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.883574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.883574 (E_RNA) where: Base-Base interactions energy: -1505.845 where: short stacking energy: -643.000 Base-Backbone interact. energy: -2.332 local terms energy: -665.705891 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -110.001 flat angles C4'-P-C4' energy: -135.420 flat angles P-C4'-P energy: -93.135 tors. eta vs tors. theta energy: -194.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2007.764542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.764542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.764542 (E_RNA) where: Base-Base interactions energy: -1399.936 where: short stacking energy: -597.399 Base-Backbone interact. energy: 0.629 local terms energy: -608.458016 where: bonds (distance) C4'-P energy: -115.578 bonds (distance) P-C4' energy: -118.010 flat angles C4'-P-C4' energy: -131.618 flat angles P-C4'-P energy: -85.578 tors. eta vs tors. theta energy: -157.674 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: 290 Temperature: 1.050000 Total energy: -1849.486868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.486868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.486868 (E_RNA) where: Base-Base interactions energy: -1234.352 where: short stacking energy: -556.177 Base-Backbone interact. energy: -3.020 local terms energy: -612.115664 where: bonds (distance) C4'-P energy: -104.963 bonds (distance) P-C4' energy: -123.786 flat angles C4'-P-C4' energy: -130.502 flat angles P-C4'-P energy: -93.777 tors. eta vs tors. theta energy: -159.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1815.368896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.368896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.368896 (E_RNA) where: Base-Base interactions energy: -1235.927 where: short stacking energy: -543.827 Base-Backbone interact. energy: 0.222 local terms energy: -579.664161 where: bonds (distance) C4'-P energy: -103.457 bonds (distance) P-C4' energy: -104.336 flat angles C4'-P-C4' energy: -139.637 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -161.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1507.441609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.441609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.441609 (E_RNA) where: Base-Base interactions energy: -984.346 where: short stacking energy: -468.957 Base-Backbone interact. energy: -1.094 local terms energy: -522.001278 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -120.200 flat angles C4'-P-C4' energy: -106.888 flat angles P-C4'-P energy: -67.368 tors. eta vs tors. theta energy: -118.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1287.319604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.319604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.319604 (E_RNA) where: Base-Base interactions energy: -831.330 where: short stacking energy: -366.430 Base-Backbone interact. energy: 2.615 local terms energy: -458.604586 where: bonds (distance) C4'-P energy: -112.077 bonds (distance) P-C4' energy: -116.834 flat angles C4'-P-C4' energy: -89.549 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -81.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -924.857088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.857088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.857088 (E_RNA) where: Base-Base interactions energy: -491.612 where: short stacking energy: -270.378 Base-Backbone interact. energy: -2.410 local terms energy: -430.835399 where: bonds (distance) C4'-P energy: -113.788 bonds (distance) P-C4' energy: -110.371 flat angles C4'-P-C4' energy: -111.675 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: -48.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -663.035769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.035769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.035769 (E_RNA) where: Base-Base interactions energy: -291.423 where: short stacking energy: -185.134 Base-Backbone interact. energy: 0.084 local terms energy: -371.696443 where: bonds (distance) C4'-P energy: -105.557 bonds (distance) P-C4' energy: -113.115 flat angles C4'-P-C4' energy: -96.361 flat angles P-C4'-P energy: -49.863 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -613.135339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.135339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.135339 (E_RNA) where: Base-Base interactions energy: -288.094 where: short stacking energy: -202.378 Base-Backbone interact. energy: 4.290 local terms energy: -329.331349 where: bonds (distance) C4'-P energy: -87.198 bonds (distance) P-C4' energy: -99.583 flat angles C4'-P-C4' energy: -91.775 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -8.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2160.520439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.520439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.520439 (E_RNA) where: Base-Base interactions energy: -1488.810 where: short stacking energy: -645.717 Base-Backbone interact. energy: -2.125 local terms energy: -669.585646 where: bonds (distance) C4'-P energy: -128.210 bonds (distance) P-C4' energy: -118.257 flat angles C4'-P-C4' energy: -147.164 flat angles P-C4'-P energy: -93.326 tors. eta vs tors. theta energy: -182.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2155.904503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.904503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.904503 (E_RNA) where: Base-Base interactions energy: -1496.069 where: short stacking energy: -628.811 Base-Backbone interact. energy: 1.146 local terms energy: -660.981277 where: bonds (distance) C4'-P energy: -105.849 bonds (distance) P-C4' energy: -125.019 flat angles C4'-P-C4' energy: -141.730 flat angles P-C4'-P energy: -97.890 tors. eta vs tors. theta energy: -190.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1977.537289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.537289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.537289 (E_RNA) where: Base-Base interactions energy: -1356.705 where: short stacking energy: -571.065 Base-Backbone interact. energy: -3.939 local terms energy: -616.893030 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -124.047 flat angles C4'-P-C4' energy: -126.105 flat angles P-C4'-P energy: -98.246 tors. eta vs tors. theta energy: -152.836 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: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1904.285125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.285125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.285125 (E_RNA) where: Base-Base interactions energy: -1250.287 where: short stacking energy: -568.787 Base-Backbone interact. energy: -5.179 local terms energy: -648.819982 where: bonds (distance) C4'-P energy: -118.428 bonds (distance) P-C4' energy: -126.908 flat angles C4'-P-C4' energy: -136.616 flat angles P-C4'-P energy: -90.959 tors. eta vs tors. theta energy: -175.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1779.036127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.036127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.036127 (E_RNA) where: Base-Base interactions energy: -1193.532 where: short stacking energy: -494.075 Base-Backbone interact. energy: -0.247 local terms energy: -585.257665 where: bonds (distance) C4'-P energy: -103.783 bonds (distance) P-C4' energy: -132.805 flat angles C4'-P-C4' energy: -134.834 flat angles P-C4'-P energy: -81.929 tors. eta vs tors. theta energy: -131.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1506.638618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.638618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.638618 (E_RNA) where: Base-Base interactions energy: -970.108 where: short stacking energy: -469.423 Base-Backbone interact. energy: -4.313 local terms energy: -532.217638 where: bonds (distance) C4'-P energy: -96.036 bonds (distance) P-C4' energy: -116.541 flat angles C4'-P-C4' energy: -121.978 flat angles P-C4'-P energy: -74.286 tors. eta vs tors. theta energy: -123.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1304.464285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.464285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.464285 (E_RNA) where: Base-Base interactions energy: -841.097 where: short stacking energy: -380.520 Base-Backbone interact. energy: -1.872 local terms energy: -461.495431 where: bonds (distance) C4'-P energy: -109.155 bonds (distance) P-C4' energy: -114.948 flat angles C4'-P-C4' energy: -100.226 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -81.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -952.190932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.190932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.190932 (E_RNA) where: Base-Base interactions energy: -539.207 where: short stacking energy: -308.715 Base-Backbone interact. energy: 0.477 local terms energy: -413.460632 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -103.889 flat angles C4'-P-C4' energy: -108.161 flat angles P-C4'-P energy: -52.957 tors. eta vs tors. theta energy: -46.752 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: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -660.902247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.902247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.902247 (E_RNA) where: Base-Base interactions energy: -311.400 where: short stacking energy: -184.626 Base-Backbone interact. energy: 2.275 local terms energy: -351.777286 where: bonds (distance) C4'-P energy: -102.934 bonds (distance) P-C4' energy: -100.306 flat angles C4'-P-C4' energy: -101.157 flat angles P-C4'-P energy: -53.933 tors. eta vs tors. theta energy: 6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -634.028983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.028983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.028983 (E_RNA) where: Base-Base interactions energy: -280.854 where: short stacking energy: -196.952 Base-Backbone interact. energy: 5.576 local terms energy: -358.750804 where: bonds (distance) C4'-P energy: -100.850 bonds (distance) P-C4' energy: -103.932 flat angles C4'-P-C4' energy: -89.242 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: -6.136 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: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2168.439592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.439592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.439592 (E_RNA) where: Base-Base interactions energy: -1497.507 where: short stacking energy: -634.013 Base-Backbone interact. energy: -4.741 local terms energy: -666.191827 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -128.842 flat angles C4'-P-C4' energy: -142.866 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -180.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2154.123882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.123882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.123882 (E_RNA) where: Base-Base interactions energy: -1487.820 where: short stacking energy: -623.942 Base-Backbone interact. energy: 3.096 local terms energy: -669.399860 where: bonds (distance) C4'-P energy: -119.712 bonds (distance) P-C4' energy: -128.073 flat angles C4'-P-C4' energy: -146.422 flat angles P-C4'-P energy: -87.342 tors. eta vs tors. theta energy: -187.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2037.430461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.430461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.430461 (E_RNA) where: Base-Base interactions energy: -1389.175 where: short stacking energy: -597.882 Base-Backbone interact. energy: -3.024 local terms energy: -645.230940 where: bonds (distance) C4'-P energy: -110.503 bonds (distance) P-C4' energy: -127.330 flat angles C4'-P-C4' energy: -149.500 flat angles P-C4'-P energy: -89.493 tors. eta vs tors. theta energy: -168.404 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: 292 Temperature: 1.050000 Total energy: -1937.702454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.702454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.702454 (E_RNA) where: Base-Base interactions energy: -1288.958 where: short stacking energy: -568.826 Base-Backbone interact. energy: -0.772 local terms energy: -647.972335 where: bonds (distance) C4'-P energy: -125.175 bonds (distance) P-C4' energy: -115.618 flat angles C4'-P-C4' energy: -146.216 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -167.976 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: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1752.859132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.859132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.859132 (E_RNA) where: Base-Base interactions energy: -1186.365 where: short stacking energy: -519.876 Base-Backbone interact. energy: -3.591 local terms energy: -562.902963 where: bonds (distance) C4'-P energy: -110.338 bonds (distance) P-C4' energy: -114.488 flat angles C4'-P-C4' energy: -120.080 flat angles P-C4'-P energy: -78.188 tors. eta vs tors. theta energy: -139.809 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: 292 Temperature: 1.150000 Total energy: -1517.739640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.739640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.739640 (E_RNA) where: Base-Base interactions energy: -996.833 where: short stacking energy: -443.987 Base-Backbone interact. energy: -0.715 local terms energy: -520.191399 where: bonds (distance) C4'-P energy: -99.091 bonds (distance) P-C4' energy: -101.674 flat angles C4'-P-C4' energy: -129.182 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: -114.853 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: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1206.428457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.428457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.428457 (E_RNA) where: Base-Base interactions energy: -736.668 where: short stacking energy: -337.503 Base-Backbone interact. energy: -0.319 local terms energy: -469.440691 where: bonds (distance) C4'-P energy: -110.493 bonds (distance) P-C4' energy: -109.930 flat angles C4'-P-C4' energy: -105.184 flat angles P-C4'-P energy: -79.681 tors. eta vs tors. theta energy: -64.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -913.482393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.482393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.482393 (E_RNA) where: Base-Base interactions energy: -536.549 where: short stacking energy: -276.287 Base-Backbone interact. energy: -2.128 local terms energy: -374.805014 where: bonds (distance) C4'-P energy: -81.898 bonds (distance) P-C4' energy: -105.132 flat angles C4'-P-C4' energy: -85.712 flat angles P-C4'-P energy: -73.876 tors. eta vs tors. theta energy: -28.186 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: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -673.219725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.219725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.219725 (E_RNA) where: Base-Base interactions energy: -343.005 where: short stacking energy: -217.284 Base-Backbone interact. energy: -0.845 local terms energy: -329.370018 where: bonds (distance) C4'-P energy: -94.482 bonds (distance) P-C4' energy: -106.090 flat angles C4'-P-C4' energy: -87.765 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: 1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -608.907445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.907445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.907445 (E_RNA) where: Base-Base interactions energy: -271.236 where: short stacking energy: -170.838 Base-Backbone interact. energy: 2.533 local terms energy: -340.204711 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -94.863 flat angles C4'-P-C4' energy: -98.248 flat angles P-C4'-P energy: -52.314 tors. eta vs tors. theta energy: 8.388 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: 293 Temperature: 0.900000 Total energy: -2182.079308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.079308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.079308 (E_RNA) where: Base-Base interactions energy: -1499.675 where: short stacking energy: -657.699 Base-Backbone interact. energy: -0.097 local terms energy: -682.308038 where: bonds (distance) C4'-P energy: -122.937 bonds (distance) P-C4' energy: -132.750 flat angles C4'-P-C4' energy: -149.320 flat angles P-C4'-P energy: -88.894 tors. eta vs tors. theta energy: -188.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2169.851001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.851001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.851001 (E_RNA) where: Base-Base interactions energy: -1489.350 where: short stacking energy: -616.601 Base-Backbone interact. energy: -4.474 local terms energy: -676.027566 where: bonds (distance) C4'-P energy: -118.610 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -148.689 flat angles P-C4'-P energy: -93.024 tors. eta vs tors. theta energy: -201.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2019.705615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.705615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.705615 (E_RNA) where: Base-Base interactions energy: -1398.165 where: short stacking energy: -606.217 Base-Backbone interact. energy: -5.249 local terms energy: -616.291690 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -173.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1918.725382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.725382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.725382 (E_RNA) where: Base-Base interactions energy: -1301.786 where: short stacking energy: -580.370 Base-Backbone interact. energy: 0.128 local terms energy: -617.067637 where: bonds (distance) C4'-P energy: -118.154 bonds (distance) P-C4' energy: -118.909 flat angles C4'-P-C4' energy: -123.455 flat angles P-C4'-P energy: -92.071 tors. eta vs tors. theta energy: -164.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1778.264368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.264368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.264368 (E_RNA) where: Base-Base interactions energy: -1228.768 where: short stacking energy: -522.525 Base-Backbone interact. energy: 0.363 local terms energy: -549.859887 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -102.078 flat angles C4'-P-C4' energy: -132.014 flat angles P-C4'-P energy: -72.145 tors. eta vs tors. theta energy: -138.135 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: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1531.353899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.353899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.353899 (E_RNA) where: Base-Base interactions energy: -985.742 where: short stacking energy: -477.272 Base-Backbone interact. energy: -2.163 local terms energy: -543.449435 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -123.235 flat angles C4'-P-C4' energy: -113.048 flat angles P-C4'-P energy: -77.602 tors. eta vs tors. theta energy: -122.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1294.580847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.580847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.580847 (E_RNA) where: Base-Base interactions energy: -804.481 where: short stacking energy: -376.830 Base-Backbone interact. energy: -4.231 local terms energy: -485.869324 where: bonds (distance) C4'-P energy: -92.586 bonds (distance) P-C4' energy: -116.609 flat angles C4'-P-C4' energy: -120.904 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -75.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -898.779829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.779829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.779829 (E_RNA) where: Base-Base interactions energy: -491.216 where: short stacking energy: -279.848 Base-Backbone interact. energy: -0.807 local terms energy: -406.756538 where: bonds (distance) C4'-P energy: -114.838 bonds (distance) P-C4' energy: -116.943 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -49.717 tors. eta vs tors. theta energy: -30.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -677.431431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.431431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.431431 (E_RNA) where: Base-Base interactions energy: -298.024 where: short stacking energy: -187.003 Base-Backbone interact. energy: 1.396 local terms energy: -380.804237 where: bonds (distance) C4'-P energy: -114.343 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -102.229 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: 0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -594.445805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.445805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.445805 (E_RNA) where: Base-Base interactions energy: -247.704 where: short stacking energy: -167.786 Base-Backbone interact. energy: -3.159 local terms energy: -343.583189 where: bonds (distance) C4'-P energy: -99.241 bonds (distance) P-C4' energy: -112.934 flat angles C4'-P-C4' energy: -101.739 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: 19.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2188.268674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.268674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.268674 (E_RNA) where: Base-Base interactions energy: -1506.792 where: short stacking energy: -640.067 Base-Backbone interact. energy: -1.379 local terms energy: -680.098038 where: bonds (distance) C4'-P energy: -121.274 bonds (distance) P-C4' energy: -126.852 flat angles C4'-P-C4' energy: -142.252 flat angles P-C4'-P energy: -99.435 tors. eta vs tors. theta energy: -190.284 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: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2150.748746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.748746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.748746 (E_RNA) where: Base-Base interactions energy: -1452.112 where: short stacking energy: -606.206 Base-Backbone interact. energy: 0.344 local terms energy: -698.980914 where: bonds (distance) C4'-P energy: -126.179 bonds (distance) P-C4' energy: -136.030 flat angles C4'-P-C4' energy: -149.448 flat angles P-C4'-P energy: -94.299 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: 3, replica: 9 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2049.654363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.654363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.654363 (E_RNA) where: Base-Base interactions energy: -1436.122 where: short stacking energy: -626.835 Base-Backbone interact. energy: -4.042 local terms energy: -609.489787 where: bonds (distance) C4'-P energy: -121.867 bonds (distance) P-C4' energy: -101.694 flat angles C4'-P-C4' energy: -123.970 flat angles P-C4'-P energy: -90.998 tors. eta vs tors. theta energy: -170.960 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: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1910.316045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.316045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.316045 (E_RNA) where: Base-Base interactions energy: -1296.074 where: short stacking energy: -583.657 Base-Backbone interact. energy: 2.494 local terms energy: -616.736854 where: bonds (distance) C4'-P energy: -99.426 bonds (distance) P-C4' energy: -125.653 flat angles C4'-P-C4' energy: -128.687 flat angles P-C4'-P energy: -81.340 tors. eta vs tors. theta energy: -181.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1769.423131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.423131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.423131 (E_RNA) where: Base-Base interactions energy: -1215.858 where: short stacking energy: -520.626 Base-Backbone interact. energy: 1.417 local terms energy: -554.982944 where: bonds (distance) C4'-P energy: -100.579 bonds (distance) P-C4' energy: -120.481 flat angles C4'-P-C4' energy: -123.999 flat angles P-C4'-P energy: -72.598 tors. eta vs tors. theta energy: -137.326 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: 294 Temperature: 1.150000 Total energy: -1487.811739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.811739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.811739 (E_RNA) where: Base-Base interactions energy: -945.525 where: short stacking energy: -450.599 Base-Backbone interact. energy: 1.430 local terms energy: -543.716969 where: bonds (distance) C4'-P energy: -111.227 bonds (distance) P-C4' energy: -120.004 flat angles C4'-P-C4' energy: -134.301 flat angles P-C4'-P energy: -69.190 tors. eta vs tors. theta energy: -108.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1266.833634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.833634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.833634 (E_RNA) where: Base-Base interactions energy: -820.655 where: short stacking energy: -376.696 Base-Backbone interact. energy: 2.659 local terms energy: -448.837975 where: bonds (distance) C4'-P energy: -102.607 bonds (distance) P-C4' energy: -110.578 flat angles C4'-P-C4' energy: -97.153 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -71.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -802.262077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.262077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.262077 (E_RNA) where: Base-Base interactions energy: -419.413 where: short stacking energy: -218.746 Base-Backbone interact. energy: -1.720 local terms energy: -381.128962 where: bonds (distance) C4'-P energy: -110.806 bonds (distance) P-C4' energy: -112.554 flat angles C4'-P-C4' energy: -90.484 flat angles P-C4'-P energy: -62.659 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -653.256071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.256071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.256071 (E_RNA) where: Base-Base interactions energy: -292.888 where: short stacking energy: -165.469 Base-Backbone interact. energy: 0.926 local terms energy: -361.294495 where: bonds (distance) C4'-P energy: -100.092 bonds (distance) P-C4' energy: -98.248 flat angles C4'-P-C4' energy: -104.811 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: 1.294 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: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -562.717870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.717870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.717870 (E_RNA) where: Base-Base interactions energy: -257.368 where: short stacking energy: -169.084 Base-Backbone interact. energy: -1.552 local terms energy: -303.797312 where: bonds (distance) C4'-P energy: -106.418 bonds (distance) P-C4' energy: -93.626 flat angles C4'-P-C4' energy: -79.415 flat angles P-C4'-P energy: -44.188 tors. eta vs tors. theta energy: 19.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2193.800674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.800674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.800674 (E_RNA) where: Base-Base interactions energy: -1506.315 where: short stacking energy: -642.498 Base-Backbone interact. energy: -5.408 local terms energy: -682.078002 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -120.528 flat angles C4'-P-C4' energy: -139.461 flat angles P-C4'-P energy: -100.305 tors. eta vs tors. theta energy: -200.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2142.039785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.039785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.039785 (E_RNA) where: Base-Base interactions energy: -1471.438 where: short stacking energy: -602.413 Base-Backbone interact. energy: -2.561 local terms energy: -668.040920 where: bonds (distance) C4'-P energy: -131.224 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -142.417 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -191.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2022.739337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.739337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.739337 (E_RNA) where: Base-Base interactions energy: -1401.621 where: short stacking energy: -590.027 Base-Backbone interact. energy: -5.151 local terms energy: -615.967480 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -120.180 flat angles C4'-P-C4' energy: -138.275 flat angles P-C4'-P energy: -82.749 tors. eta vs tors. theta energy: -171.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1899.181105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.181105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.181105 (E_RNA) where: Base-Base interactions energy: -1275.014 where: short stacking energy: -558.541 Base-Backbone interact. energy: -1.567 local terms energy: -622.600107 where: bonds (distance) C4'-P energy: -110.828 bonds (distance) P-C4' energy: -120.013 flat angles C4'-P-C4' energy: -146.003 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -157.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1800.975423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.975423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.975423 (E_RNA) where: Base-Base interactions energy: -1226.318 where: short stacking energy: -510.709 Base-Backbone interact. energy: -0.870 local terms energy: -573.787928 where: bonds (distance) C4'-P energy: -104.005 bonds (distance) P-C4' energy: -121.760 flat angles C4'-P-C4' energy: -134.504 flat angles P-C4'-P energy: -74.450 tors. eta vs tors. theta energy: -139.070 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: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1512.156244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.156244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.156244 (E_RNA) where: Base-Base interactions energy: -1000.759 where: short stacking energy: -447.125 Base-Backbone interact. energy: -1.182 local terms energy: -510.215615 where: bonds (distance) C4'-P energy: -102.685 bonds (distance) P-C4' energy: -100.813 flat angles C4'-P-C4' energy: -121.863 flat angles P-C4'-P energy: -63.680 tors. eta vs tors. theta energy: -121.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1180.741112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.741112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.741112 (E_RNA) where: Base-Base interactions energy: -733.062 where: short stacking energy: -323.803 Base-Backbone interact. energy: -1.425 local terms energy: -446.253657 where: bonds (distance) C4'-P energy: -91.948 bonds (distance) P-C4' energy: -118.358 flat angles C4'-P-C4' energy: -116.067 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -62.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -833.716550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.716550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.716550 (E_RNA) where: Base-Base interactions energy: -449.284 where: short stacking energy: -242.733 Base-Backbone interact. energy: -1.942 local terms energy: -382.490385 where: bonds (distance) C4'-P energy: -98.073 bonds (distance) P-C4' energy: -123.245 flat angles C4'-P-C4' energy: -101.550 flat angles P-C4'-P energy: -54.368 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -682.421313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.421313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.421313 (E_RNA) where: Base-Base interactions energy: -316.085 where: short stacking energy: -210.142 Base-Backbone interact. energy: 1.171 local terms energy: -367.507250 where: bonds (distance) C4'-P energy: -95.678 bonds (distance) P-C4' energy: -118.371 flat angles C4'-P-C4' energy: -95.939 flat angles P-C4'-P energy: -52.656 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -660.662153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.662153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.662153 (E_RNA) where: Base-Base interactions energy: -307.172 where: short stacking energy: -200.456 Base-Backbone interact. energy: -1.508 local terms energy: -351.981871 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -94.024 flat angles C4'-P-C4' energy: -101.665 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -13.410 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: 296 Temperature: 0.900000 Total energy: -2176.920202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.920202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.920202 (E_RNA) where: Base-Base interactions energy: -1501.886 where: short stacking energy: -653.384 Base-Backbone interact. energy: -3.109 local terms energy: -671.925586 where: bonds (distance) C4'-P energy: -122.930 bonds (distance) P-C4' energy: -126.679 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -94.691 tors. eta vs tors. theta energy: -184.025 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: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2113.863842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.863842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.863842 (E_RNA) where: Base-Base interactions energy: -1467.343 where: short stacking energy: -609.822 Base-Backbone interact. energy: -2.365 local terms energy: -644.155835 where: bonds (distance) C4'-P energy: -123.361 bonds (distance) P-C4' energy: -114.436 flat angles C4'-P-C4' energy: -131.596 flat angles P-C4'-P energy: -90.135 tors. eta vs tors. theta energy: -184.628 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: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2029.689615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.689615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.689615 (E_RNA) where: Base-Base interactions energy: -1400.373 where: short stacking energy: -587.973 Base-Backbone interact. energy: 2.635 local terms energy: -631.952043 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -126.484 flat angles P-C4'-P energy: -90.017 tors. eta vs tors. theta energy: -159.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1915.695922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.695922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.695922 (E_RNA) where: Base-Base interactions energy: -1294.539 where: short stacking energy: -596.210 Base-Backbone interact. energy: -0.715 local terms energy: -620.441929 where: bonds (distance) C4'-P energy: -113.680 bonds (distance) P-C4' energy: -128.334 flat angles C4'-P-C4' energy: -134.997 flat angles P-C4'-P energy: -74.185 tors. eta vs tors. theta energy: -169.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1869.208785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.208785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.208785 (E_RNA) where: Base-Base interactions energy: -1257.478 where: short stacking energy: -541.645 Base-Backbone interact. energy: 0.731 local terms energy: -612.461460 where: bonds (distance) C4'-P energy: -106.437 bonds (distance) P-C4' energy: -129.622 flat angles C4'-P-C4' energy: -125.889 flat angles P-C4'-P energy: -96.827 tors. eta vs tors. theta energy: -153.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1559.283815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.283815 (E_RNA) where: Base-Base interactions energy: -1019.329 where: short stacking energy: -439.600 Base-Backbone interact. energy: 1.675 local terms energy: -541.629406 where: bonds (distance) C4'-P energy: -103.599 bonds (distance) P-C4' energy: -98.355 flat angles C4'-P-C4' energy: -124.639 flat angles P-C4'-P energy: -81.675 tors. eta vs tors. theta energy: -133.362 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1153.766277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.766277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.766277 (E_RNA) where: Base-Base interactions energy: -691.880 where: short stacking energy: -317.263 Base-Backbone interact. energy: -2.656 local terms energy: -459.230261 where: bonds (distance) C4'-P energy: -102.246 bonds (distance) P-C4' energy: -124.813 flat angles C4'-P-C4' energy: -114.420 flat angles P-C4'-P energy: -68.105 tors. eta vs tors. theta energy: -49.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -862.825946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.825946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.825946 (E_RNA) where: Base-Base interactions energy: -477.142 where: short stacking energy: -255.606 Base-Backbone interact. energy: 0.067 local terms energy: -385.751399 where: bonds (distance) C4'-P energy: -101.131 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -109.235 flat angles P-C4'-P energy: -63.459 tors. eta vs tors. theta energy: -18.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -639.521647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.521647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.521647 (E_RNA) where: Base-Base interactions energy: -300.533 where: short stacking energy: -188.357 Base-Backbone interact. energy: -2.649 local terms energy: -336.339710 where: bonds (distance) C4'-P energy: -95.245 bonds (distance) P-C4' energy: -106.386 flat angles C4'-P-C4' energy: -87.142 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: 9.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -617.994882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.994882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.994882 (E_RNA) where: Base-Base interactions energy: -248.866 where: short stacking energy: -155.177 Base-Backbone interact. energy: -0.156 local terms energy: -368.972467 where: bonds (distance) C4'-P energy: -103.418 bonds (distance) P-C4' energy: -102.935 flat angles C4'-P-C4' energy: -105.308 flat angles P-C4'-P energy: -57.750 tors. eta vs tors. theta energy: 0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2171.551434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.551434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.551434 (E_RNA) where: Base-Base interactions energy: -1496.693 where: short stacking energy: -627.525 Base-Backbone interact. energy: -2.212 local terms energy: -672.646074 where: bonds (distance) C4'-P energy: -123.387 bonds (distance) P-C4' energy: -122.459 flat angles C4'-P-C4' energy: -147.247 flat angles P-C4'-P energy: -98.647 tors. eta vs tors. theta energy: -180.905 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: 297 Temperature: 0.950000 Total energy: -2125.808825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.808825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.808825 (E_RNA) where: Base-Base interactions energy: -1464.375 where: short stacking energy: -586.626 Base-Backbone interact. energy: -0.736 local terms energy: -660.697379 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -114.630 flat angles C4'-P-C4' energy: -145.126 flat angles P-C4'-P energy: -96.417 tors. eta vs tors. theta energy: -187.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2062.145365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.145365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.145365 (E_RNA) where: Base-Base interactions energy: -1429.527 where: short stacking energy: -578.159 Base-Backbone interact. energy: 0.779 local terms energy: -633.397276 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -125.427 flat angles C4'-P-C4' energy: -134.861 flat angles P-C4'-P energy: -88.072 tors. eta vs tors. theta energy: -159.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1946.511424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.511424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.511424 (E_RNA) where: Base-Base interactions energy: -1336.304 where: short stacking energy: -597.387 Base-Backbone interact. energy: -2.218 local terms energy: -607.989182 where: bonds (distance) C4'-P energy: -100.333 bonds (distance) P-C4' energy: -110.430 flat angles C4'-P-C4' energy: -132.648 flat angles P-C4'-P energy: -81.505 tors. eta vs tors. theta energy: -183.074 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: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1785.188389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.188389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.188389 (E_RNA) where: Base-Base interactions energy: -1196.503 where: short stacking energy: -517.997 Base-Backbone interact. energy: -1.993 local terms energy: -586.692007 where: bonds (distance) C4'-P energy: -117.709 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -122.295 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -146.231 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: 297 Temperature: 1.150000 Total energy: -1478.261688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.261688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.261688 (E_RNA) where: Base-Base interactions energy: -951.403 where: short stacking energy: -446.236 Base-Backbone interact. energy: -1.220 local terms energy: -525.638957 where: bonds (distance) C4'-P energy: -112.101 bonds (distance) P-C4' energy: -110.119 flat angles C4'-P-C4' energy: -115.905 flat angles P-C4'-P energy: -67.856 tors. eta vs tors. theta energy: -119.658 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: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1153.218365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.218365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.218365 (E_RNA) where: Base-Base interactions energy: -688.158 where: short stacking energy: -347.020 Base-Backbone interact. energy: 5.883 local terms energy: -470.943307 where: bonds (distance) C4'-P energy: -88.613 bonds (distance) P-C4' energy: -128.189 flat angles C4'-P-C4' energy: -112.567 flat angles P-C4'-P energy: -76.516 tors. eta vs tors. theta energy: -65.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -879.437575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.437575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.437575 (E_RNA) where: Base-Base interactions energy: -483.701 where: short stacking energy: -252.358 Base-Backbone interact. energy: 2.716 local terms energy: -398.451914 where: bonds (distance) C4'-P energy: -89.749 bonds (distance) P-C4' energy: -103.622 flat angles C4'-P-C4' energy: -120.314 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -36.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -646.353552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.353552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.353552 (E_RNA) where: Base-Base interactions energy: -306.964 where: short stacking energy: -184.470 Base-Backbone interact. energy: 3.129 local terms energy: -342.518443 where: bonds (distance) C4'-P energy: -105.859 bonds (distance) P-C4' energy: -115.707 flat angles C4'-P-C4' energy: -87.783 flat angles P-C4'-P energy: -47.877 tors. eta vs tors. theta energy: 14.708 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: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -608.712187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.712187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.712187 (E_RNA) where: Base-Base interactions energy: -250.475 where: short stacking energy: -161.973 Base-Backbone interact. energy: -2.953 local terms energy: -355.284082 where: bonds (distance) C4'-P energy: -105.214 bonds (distance) P-C4' energy: -118.944 flat angles C4'-P-C4' energy: -84.516 flat angles P-C4'-P energy: -47.702 tors. eta vs tors. theta energy: 1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2227.695409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.695409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.695409 (E_RNA) where: Base-Base interactions energy: -1542.596 where: short stacking energy: -652.231 Base-Backbone interact. energy: -2.510 local terms energy: -682.589338 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -108.681 flat angles C4'-P-C4' energy: -149.676 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -196.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2127.086155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.086155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.086155 (E_RNA) where: Base-Base interactions energy: -1485.843 where: short stacking energy: -612.101 Base-Backbone interact. energy: 1.964 local terms energy: -643.207428 where: bonds (distance) C4'-P energy: -115.650 bonds (distance) P-C4' energy: -127.175 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -88.431 tors. eta vs tors. theta energy: -173.241 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: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2030.338949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.338949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.338949 (E_RNA) where: Base-Base interactions energy: -1395.878 where: short stacking energy: -611.247 Base-Backbone interact. energy: -1.255 local terms energy: -633.206601 where: bonds (distance) C4'-P energy: -117.051 bonds (distance) P-C4' energy: -118.718 flat angles C4'-P-C4' energy: -145.528 flat angles P-C4'-P energy: -88.785 tors. eta vs tors. theta energy: -163.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1928.026920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.026920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.026920 (E_RNA) where: Base-Base interactions energy: -1281.921 where: short stacking energy: -559.822 Base-Backbone interact. energy: -0.190 local terms energy: -645.915806 where: bonds (distance) C4'-P energy: -120.978 bonds (distance) P-C4' energy: -120.189 flat angles C4'-P-C4' energy: -127.686 flat angles P-C4'-P energy: -100.177 tors. eta vs tors. theta energy: -176.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1796.765709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.765709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.765709 (E_RNA) where: Base-Base interactions energy: -1191.384 where: short stacking energy: -558.069 Base-Backbone interact. energy: -3.629 local terms energy: -601.752788 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -110.743 flat angles C4'-P-C4' energy: -123.003 flat angles P-C4'-P energy: -82.588 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1474.231712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.231712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.231712 (E_RNA) where: Base-Base interactions energy: -949.346 where: short stacking energy: -462.758 Base-Backbone interact. energy: -2.315 local terms energy: -522.570954 where: bonds (distance) C4'-P energy: -89.514 bonds (distance) P-C4' energy: -128.573 flat angles C4'-P-C4' energy: -121.181 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -118.519 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: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1148.530189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.530189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.530189 (E_RNA) where: Base-Base interactions energy: -690.549 where: short stacking energy: -318.592 Base-Backbone interact. energy: -2.468 local terms energy: -455.513047 where: bonds (distance) C4'-P energy: -97.489 bonds (distance) P-C4' energy: -119.939 flat angles C4'-P-C4' energy: -109.484 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -48.270 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: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -859.588068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.588068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.588068 (E_RNA) where: Base-Base interactions energy: -445.227 where: short stacking energy: -242.344 Base-Backbone interact. energy: 1.295 local terms energy: -415.655978 where: bonds (distance) C4'-P energy: -117.195 bonds (distance) P-C4' energy: -102.049 flat angles C4'-P-C4' energy: -100.554 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -19.745 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: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -659.272636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.272636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.272636 (E_RNA) where: Base-Base interactions energy: -354.811 where: short stacking energy: -181.187 Base-Backbone interact. energy: 1.321 local terms energy: -305.782257 where: bonds (distance) C4'-P energy: -118.338 bonds (distance) P-C4' energy: -99.580 flat angles C4'-P-C4' energy: -60.790 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: 29.452 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: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -616.618918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.618918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.618918 (E_RNA) where: Base-Base interactions energy: -264.010 where: short stacking energy: -186.817 Base-Backbone interact. energy: 2.010 local terms energy: -354.618972 where: bonds (distance) C4'-P energy: -110.776 bonds (distance) P-C4' energy: -108.224 flat angles C4'-P-C4' energy: -81.508 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -7.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2170.700062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.700062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.700062 (E_RNA) where: Base-Base interactions energy: -1497.841 where: short stacking energy: -632.864 Base-Backbone interact. energy: -4.629 local terms energy: -668.229283 where: bonds (distance) C4'-P energy: -123.521 bonds (distance) P-C4' energy: -133.173 flat angles C4'-P-C4' energy: -137.586 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -186.447 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2135.734647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.734647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.734647 (E_RNA) where: Base-Base interactions energy: -1489.035 where: short stacking energy: -626.519 Base-Backbone interact. energy: -2.884 local terms energy: -643.815922 where: bonds (distance) C4'-P energy: -124.020 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -138.759 flat angles P-C4'-P energy: -91.365 tors. eta vs tors. theta energy: -187.498 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: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2044.028929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.028929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.028929 (E_RNA) where: Base-Base interactions energy: -1396.813 where: short stacking energy: -582.108 Base-Backbone interact. energy: -5.760 local terms energy: -641.455727 where: bonds (distance) C4'-P energy: -117.965 bonds (distance) P-C4' energy: -131.990 flat angles C4'-P-C4' energy: -130.764 flat angles P-C4'-P energy: -100.854 tors. eta vs tors. theta energy: -159.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1935.959982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.959982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.959982 (E_RNA) where: Base-Base interactions energy: -1310.029 where: short stacking energy: -560.886 Base-Backbone interact. energy: -1.486 local terms energy: -624.445432 where: bonds (distance) C4'-P energy: -121.132 bonds (distance) P-C4' energy: -105.980 flat angles C4'-P-C4' energy: -129.835 flat angles P-C4'-P energy: -95.829 tors. eta vs tors. theta energy: -171.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1781.093804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.093804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.093804 (E_RNA) where: Base-Base interactions energy: -1215.800 where: short stacking energy: -530.313 Base-Backbone interact. energy: 0.034 local terms energy: -565.328193 where: bonds (distance) C4'-P energy: -112.788 bonds (distance) P-C4' energy: -118.829 flat angles C4'-P-C4' energy: -123.457 flat angles P-C4'-P energy: -72.902 tors. eta vs tors. theta energy: -137.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1481.721536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.721536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.721536 (E_RNA) where: Base-Base interactions energy: -959.526 where: short stacking energy: -476.275 Base-Backbone interact. energy: -2.526 local terms energy: -519.670096 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -119.170 flat angles C4'-P-C4' energy: -110.551 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -111.720 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: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1154.025508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.025508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.025508 (E_RNA) where: Base-Base interactions energy: -694.168 where: short stacking energy: -316.923 Base-Backbone interact. energy: 1.378 local terms energy: -461.235037 where: bonds (distance) C4'-P energy: -95.861 bonds (distance) P-C4' energy: -102.879 flat angles C4'-P-C4' energy: -117.682 flat angles P-C4'-P energy: -82.901 tors. eta vs tors. theta energy: -61.913 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: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -836.398475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.398475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.398475 (E_RNA) where: Base-Base interactions energy: -442.999 where: short stacking energy: -222.750 Base-Backbone interact. energy: -0.521 local terms energy: -392.878483 where: bonds (distance) C4'-P energy: -99.464 bonds (distance) P-C4' energy: -110.770 flat angles C4'-P-C4' energy: -103.777 flat angles P-C4'-P energy: -65.408 tors. eta vs tors. theta energy: -13.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -760.311038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.311038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.311038 (E_RNA) where: Base-Base interactions energy: -382.010 where: short stacking energy: -211.519 Base-Backbone interact. energy: 5.311 local terms energy: -383.612531 where: bonds (distance) C4'-P energy: -85.676 bonds (distance) P-C4' energy: -130.865 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -3.601 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: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -609.363073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.363073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.363073 (E_RNA) where: Base-Base interactions energy: -258.529 where: short stacking energy: -176.344 Base-Backbone interact. energy: 0.668 local terms energy: -351.501505 where: bonds (distance) C4'-P energy: -108.180 bonds (distance) P-C4' energy: -112.607 flat angles C4'-P-C4' energy: -72.098 flat angles P-C4'-P energy: -51.830 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: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2213.539329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.539329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.539329 (E_RNA) where: Base-Base interactions energy: -1523.792 where: short stacking energy: -636.763 Base-Backbone interact. energy: -2.432 local terms energy: -687.315386 where: bonds (distance) C4'-P energy: -132.993 bonds (distance) P-C4' energy: -123.535 flat angles C4'-P-C4' energy: -142.642 flat angles P-C4'-P energy: -95.933 tors. eta vs tors. theta energy: -192.212 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: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2143.863161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.863161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.863161 (E_RNA) where: Base-Base interactions energy: -1479.479 where: short stacking energy: -632.538 Base-Backbone interact. energy: -1.717 local terms energy: -662.666893 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -139.680 flat angles P-C4'-P energy: -86.931 tors. eta vs tors. theta energy: -191.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2027.303260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.303260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.303260 (E_RNA) where: Base-Base interactions energy: -1393.732 where: short stacking energy: -576.595 Base-Backbone interact. energy: -4.593 local terms energy: -628.978875 where: bonds (distance) C4'-P energy: -114.305 bonds (distance) P-C4' energy: -120.181 flat angles C4'-P-C4' energy: -132.488 flat angles P-C4'-P energy: -100.528 tors. eta vs tors. theta energy: -161.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1951.599880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.599880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.599880 (E_RNA) where: Base-Base interactions energy: -1312.085 where: short stacking energy: -609.408 Base-Backbone interact. energy: -2.718 local terms energy: -636.797654 where: bonds (distance) C4'-P energy: -117.754 bonds (distance) P-C4' energy: -117.144 flat angles C4'-P-C4' energy: -134.483 flat angles P-C4'-P energy: -83.691 tors. eta vs tors. theta energy: -183.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1826.911666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.911666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.911666 (E_RNA) where: Base-Base interactions energy: -1250.191 where: short stacking energy: -508.979 Base-Backbone interact. energy: -0.305 local terms energy: -576.415465 where: bonds (distance) C4'-P energy: -109.379 bonds (distance) P-C4' energy: -121.948 flat angles C4'-P-C4' energy: -107.486 flat angles P-C4'-P energy: -86.792 tors. eta vs tors. theta energy: -150.811 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: 300 Temperature: 1.150000 Total energy: -1543.394474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.394474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.394474 (E_RNA) where: Base-Base interactions energy: -1023.545 where: short stacking energy: -464.888 Base-Backbone interact. energy: 2.586 local terms energy: -522.435757 where: bonds (distance) C4'-P energy: -108.140 bonds (distance) P-C4' energy: -110.918 flat angles C4'-P-C4' energy: -126.551 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -108.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1159.628867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.628867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.628867 (E_RNA) where: Base-Base interactions energy: -702.942 where: short stacking energy: -301.745 Base-Backbone interact. energy: 1.326 local terms energy: -458.012734 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -125.320 flat angles C4'-P-C4' energy: -112.815 flat angles P-C4'-P energy: -79.294 tors. eta vs tors. theta energy: -42.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -881.942430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.942430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.942430 (E_RNA) where: Base-Base interactions energy: -493.116 where: short stacking energy: -254.226 Base-Backbone interact. energy: 0.959 local terms energy: -389.785433 where: bonds (distance) C4'-P energy: -96.602 bonds (distance) P-C4' energy: -108.293 flat angles C4'-P-C4' energy: -116.182 flat angles P-C4'-P energy: -47.609 tors. eta vs tors. theta energy: -21.100 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: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -739.000963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.000963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.000963 (E_RNA) where: Base-Base interactions energy: -383.693 where: short stacking energy: -223.168 Base-Backbone interact. energy: -0.894 local terms energy: -354.413259 where: bonds (distance) C4'-P energy: -97.386 bonds (distance) P-C4' energy: -99.554 flat angles C4'-P-C4' energy: -85.006 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -613.718703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.718703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.718703 (E_RNA) where: Base-Base interactions energy: -303.816 where: short stacking energy: -191.485 Base-Backbone interact. energy: 2.524 local terms energy: -312.426421 where: bonds (distance) C4'-P energy: -88.891 bonds (distance) P-C4' energy: -112.866 flat angles C4'-P-C4' energy: -82.846 flat angles P-C4'-P energy: -45.115 tors. eta vs tors. theta energy: 17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2203.275641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.275641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.275641 (E_RNA) where: Base-Base interactions energy: -1522.505 where: short stacking energy: -628.869 Base-Backbone interact. energy: -2.684 local terms energy: -678.087439 where: bonds (distance) C4'-P energy: -121.248 bonds (distance) P-C4' energy: -121.003 flat angles C4'-P-C4' energy: -136.304 flat angles P-C4'-P energy: -104.852 tors. eta vs tors. theta energy: -194.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2097.674296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.674296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.674296 (E_RNA) where: Base-Base interactions energy: -1439.603 where: short stacking energy: -598.980 Base-Backbone interact. energy: -2.062 local terms energy: -656.009150 where: bonds (distance) C4'-P energy: -111.894 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -145.519 flat angles P-C4'-P energy: -102.000 tors. eta vs tors. theta energy: -178.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2000.849923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.849923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.849923 (E_RNA) where: Base-Base interactions energy: -1379.121 where: short stacking energy: -575.338 Base-Backbone interact. energy: -4.738 local terms energy: -616.990391 where: bonds (distance) C4'-P energy: -125.680 bonds (distance) P-C4' energy: -114.210 flat angles C4'-P-C4' energy: -118.407 flat angles P-C4'-P energy: -92.201 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: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1975.850640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.850640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.850640 (E_RNA) where: Base-Base interactions energy: -1318.298 where: short stacking energy: -599.990 Base-Backbone interact. energy: -2.013 local terms energy: -655.539724 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -146.411 flat angles P-C4'-P energy: -103.963 tors. eta vs tors. theta energy: -173.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1813.621353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.621353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.621353 (E_RNA) where: Base-Base interactions energy: -1255.722 where: short stacking energy: -556.746 Base-Backbone interact. energy: -2.557 local terms energy: -555.342612 where: bonds (distance) C4'-P energy: -108.337 bonds (distance) P-C4' energy: -97.229 flat angles C4'-P-C4' energy: -119.119 flat angles P-C4'-P energy: -86.395 tors. eta vs tors. theta energy: -144.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1487.199576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.199576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.199576 (E_RNA) where: Base-Base interactions energy: -943.548 where: short stacking energy: -450.574 Base-Backbone interact. energy: 1.524 local terms energy: -545.175620 where: bonds (distance) C4'-P energy: -114.131 bonds (distance) P-C4' energy: -110.343 flat angles C4'-P-C4' energy: -133.722 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -112.710 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: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1178.825808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.825808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.825808 (E_RNA) where: Base-Base interactions energy: -725.082 where: short stacking energy: -365.956 Base-Backbone interact. energy: -2.249 local terms energy: -451.494665 where: bonds (distance) C4'-P energy: -109.656 bonds (distance) P-C4' energy: -112.265 flat angles C4'-P-C4' energy: -100.983 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -63.533 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: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -885.669822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.669822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.669822 (E_RNA) where: Base-Base interactions energy: -511.293 where: short stacking energy: -243.947 Base-Backbone interact. energy: 1.102 local terms energy: -375.478849 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -106.371 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -20.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -716.451013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.451013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.451013 (E_RNA) where: Base-Base interactions energy: -350.643 where: short stacking energy: -218.604 Base-Backbone interact. energy: 8.749 local terms energy: -374.556777 where: bonds (distance) C4'-P energy: -113.982 bonds (distance) P-C4' energy: -113.404 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -613.186897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.186897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.186897 (E_RNA) where: Base-Base interactions energy: -266.766 where: short stacking energy: -177.184 Base-Backbone interact. energy: 1.060 local terms energy: -347.480208 where: bonds (distance) C4'-P energy: -102.813 bonds (distance) P-C4' energy: -103.050 flat angles C4'-P-C4' energy: -89.833 flat angles P-C4'-P energy: -57.090 tors. eta vs tors. theta energy: 5.306 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: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2204.127323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.127323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.127323 (E_RNA) where: Base-Base interactions energy: -1525.999 where: short stacking energy: -643.894 Base-Backbone interact. energy: -5.199 local terms energy: -672.928445 where: bonds (distance) C4'-P energy: -127.331 bonds (distance) P-C4' energy: -129.414 flat angles C4'-P-C4' energy: -140.218 flat angles P-C4'-P energy: -93.432 tors. eta vs tors. theta energy: -182.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2124.097672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.097672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.097672 (E_RNA) where: Base-Base interactions energy: -1466.853 where: short stacking energy: -634.847 Base-Backbone interact. energy: -5.453 local terms energy: -651.792217 where: bonds (distance) C4'-P energy: -120.011 bonds (distance) P-C4' energy: -121.198 flat angles C4'-P-C4' energy: -133.639 flat angles P-C4'-P energy: -93.548 tors. eta vs tors. theta energy: -183.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2025.929492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.929492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.929492 (E_RNA) where: Base-Base interactions energy: -1388.188 where: short stacking energy: -606.897 Base-Backbone interact. energy: -2.943 local terms energy: -634.798732 where: bonds (distance) C4'-P energy: -108.056 bonds (distance) P-C4' energy: -121.617 flat angles C4'-P-C4' energy: -141.530 flat angles P-C4'-P energy: -89.914 tors. eta vs tors. theta energy: -173.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1933.163657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.163657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.163657 (E_RNA) where: Base-Base interactions energy: -1320.278 where: short stacking energy: -549.277 Base-Backbone interact. energy: -2.496 local terms energy: -610.389139 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -131.219 flat angles C4'-P-C4' energy: -122.472 flat angles P-C4'-P energy: -83.766 tors. eta vs tors. theta energy: -149.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1812.107077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.107077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.107077 (E_RNA) where: Base-Base interactions energy: -1215.443 where: short stacking energy: -515.394 Base-Backbone interact. energy: -2.983 local terms energy: -593.680322 where: bonds (distance) C4'-P energy: -107.504 bonds (distance) P-C4' energy: -118.946 flat angles C4'-P-C4' energy: -135.926 flat angles P-C4'-P energy: -87.340 tors. eta vs tors. theta energy: -143.964 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: 302 Temperature: 1.150000 Total energy: -1494.173041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.173041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.173041 (E_RNA) where: Base-Base interactions energy: -966.325 where: short stacking energy: -451.790 Base-Backbone interact. energy: 1.267 local terms energy: -529.115729 where: bonds (distance) C4'-P energy: -100.917 bonds (distance) P-C4' energy: -109.129 flat angles C4'-P-C4' energy: -115.347 flat angles P-C4'-P energy: -83.217 tors. eta vs tors. theta energy: -120.505 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: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1221.682206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.682206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.682206 (E_RNA) where: Base-Base interactions energy: -766.925 where: short stacking energy: -357.512 Base-Backbone interact. energy: -2.124 local terms energy: -452.633084 where: bonds (distance) C4'-P energy: -96.751 bonds (distance) P-C4' energy: -109.824 flat angles C4'-P-C4' energy: -120.744 flat angles P-C4'-P energy: -68.447 tors. eta vs tors. theta energy: -56.868 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: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1001.988258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.988258 (E_RNA) where: Base-Base interactions energy: -579.310 where: short stacking energy: -301.510 Base-Backbone interact. energy: 0.515 local terms energy: -423.193339 where: bonds (distance) C4'-P energy: -108.653 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -97.831 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -49.453 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: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -682.275531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.275531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.275531 (E_RNA) where: Base-Base interactions energy: -365.143 where: short stacking energy: -212.939 Base-Backbone interact. energy: 6.419 local terms energy: -323.551541 where: bonds (distance) C4'-P energy: -120.788 bonds (distance) P-C4' energy: -105.097 flat angles C4'-P-C4' energy: -78.924 flat angles P-C4'-P energy: -49.165 tors. eta vs tors. theta energy: 30.423 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: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -672.258897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.258897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.258897 (E_RNA) where: Base-Base interactions energy: -300.101 where: short stacking energy: -213.661 Base-Backbone interact. energy: -0.304 local terms energy: -371.854176 where: bonds (distance) C4'-P energy: -82.884 bonds (distance) P-C4' energy: -116.786 flat angles C4'-P-C4' energy: -85.178 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -19.382 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: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2194.152621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.152621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.152621 (E_RNA) where: Base-Base interactions energy: -1495.109 where: short stacking energy: -627.312 Base-Backbone interact. energy: -2.233 local terms energy: -696.810229 where: bonds (distance) C4'-P energy: -132.650 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -141.540 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -188.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2130.052950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.052950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.052950 (E_RNA) where: Base-Base interactions energy: -1465.193 where: short stacking energy: -637.442 Base-Backbone interact. energy: -2.029 local terms energy: -662.830857 where: bonds (distance) C4'-P energy: -126.096 bonds (distance) P-C4' energy: -126.762 flat angles C4'-P-C4' energy: -125.467 flat angles P-C4'-P energy: -100.607 tors. eta vs tors. theta energy: -183.899 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: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2001.176623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.176623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.176623 (E_RNA) where: Base-Base interactions energy: -1370.326 where: short stacking energy: -587.150 Base-Backbone interact. energy: -1.022 local terms energy: -629.828684 where: bonds (distance) C4'-P energy: -111.370 bonds (distance) P-C4' energy: -137.320 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -75.016 tors. eta vs tors. theta energy: -171.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1935.180402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.180402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.180402 (E_RNA) where: Base-Base interactions energy: -1350.448 where: short stacking energy: -561.693 Base-Backbone interact. energy: 2.297 local terms energy: -587.029662 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -102.322 flat angles C4'-P-C4' energy: -121.154 flat angles P-C4'-P energy: -86.126 tors. eta vs tors. theta energy: -157.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1772.314851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.314851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.314851 (E_RNA) where: Base-Base interactions energy: -1191.824 where: short stacking energy: -548.103 Base-Backbone interact. energy: 2.964 local terms energy: -583.455166 where: bonds (distance) C4'-P energy: -107.263 bonds (distance) P-C4' energy: -123.032 flat angles C4'-P-C4' energy: -130.220 flat angles P-C4'-P energy: -78.829 tors. eta vs tors. theta energy: -144.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1512.367643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.367643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.367643 (E_RNA) where: Base-Base interactions energy: -995.134 where: short stacking energy: -458.659 Base-Backbone interact. energy: -0.367 local terms energy: -516.866767 where: bonds (distance) C4'-P energy: -93.339 bonds (distance) P-C4' energy: -121.532 flat angles C4'-P-C4' energy: -114.023 flat angles P-C4'-P energy: -78.850 tors. eta vs tors. theta energy: -109.123 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: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1228.356025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.356025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.356025 (E_RNA) where: Base-Base interactions energy: -762.890 where: short stacking energy: -366.349 Base-Backbone interact. energy: -2.780 local terms energy: -462.686110 where: bonds (distance) C4'-P energy: -109.426 bonds (distance) P-C4' energy: -110.746 flat angles C4'-P-C4' energy: -101.719 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -67.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -862.237433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.237433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.237433 (E_RNA) where: Base-Base interactions energy: -498.366 where: short stacking energy: -257.721 Base-Backbone interact. energy: 2.040 local terms energy: -365.911663 where: bonds (distance) C4'-P energy: -98.967 bonds (distance) P-C4' energy: -83.756 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -64.879 tors. eta vs tors. theta energy: -9.419 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: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -700.831161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.831161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.831161 (E_RNA) where: Base-Base interactions energy: -359.666 where: short stacking energy: -204.074 Base-Backbone interact. energy: -1.432 local terms energy: -339.733466 where: bonds (distance) C4'-P energy: -107.972 bonds (distance) P-C4' energy: -109.164 flat angles C4'-P-C4' energy: -83.305 flat angles P-C4'-P energy: -35.732 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -638.545575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.545575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.545575 (E_RNA) where: Base-Base interactions energy: -287.577 where: short stacking energy: -187.659 Base-Backbone interact. energy: 4.033 local terms energy: -355.001191 where: bonds (distance) C4'-P energy: -113.426 bonds (distance) P-C4' energy: -105.655 flat angles C4'-P-C4' energy: -82.359 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: 4.802 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: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2242.539873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.539873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.539873 (E_RNA) where: Base-Base interactions energy: -1552.451 where: short stacking energy: -652.752 Base-Backbone interact. energy: -3.845 local terms energy: -686.243874 where: bonds (distance) C4'-P energy: -111.899 bonds (distance) P-C4' energy: -129.454 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -198.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2115.319530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.319530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.319530 (E_RNA) where: Base-Base interactions energy: -1497.278 where: short stacking energy: -614.497 Base-Backbone interact. energy: -0.281 local terms energy: -617.760623 where: bonds (distance) C4'-P energy: -111.412 bonds (distance) P-C4' energy: -116.073 flat angles C4'-P-C4' energy: -133.650 flat angles P-C4'-P energy: -90.799 tors. eta vs tors. theta energy: -165.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2016.603029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.603029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.603029 (E_RNA) where: Base-Base interactions energy: -1375.117 where: short stacking energy: -619.502 Base-Backbone interact. energy: -2.675 local terms energy: -638.811205 where: bonds (distance) C4'-P energy: -112.422 bonds (distance) P-C4' energy: -103.208 flat angles C4'-P-C4' energy: -147.342 flat angles P-C4'-P energy: -92.105 tors. eta vs tors. theta energy: -183.735 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: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1914.667890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.667890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.667890 (E_RNA) where: Base-Base interactions energy: -1317.729 where: short stacking energy: -535.986 Base-Backbone interact. energy: -0.244 local terms energy: -596.694741 where: bonds (distance) C4'-P energy: -109.049 bonds (distance) P-C4' energy: -127.488 flat angles C4'-P-C4' energy: -124.398 flat angles P-C4'-P energy: -92.100 tors. eta vs tors. theta energy: -143.660 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: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1861.320032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.320032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.320032 (E_RNA) where: Base-Base interactions energy: -1267.332 where: short stacking energy: -547.321 Base-Backbone interact. energy: -3.996 local terms energy: -589.992168 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -117.469 flat angles C4'-P-C4' energy: -129.369 flat angles P-C4'-P energy: -73.326 tors. eta vs tors. theta energy: -155.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1552.337873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.337873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.337873 (E_RNA) where: Base-Base interactions energy: -1010.098 where: short stacking energy: -451.252 Base-Backbone interact. energy: -3.290 local terms energy: -538.950153 where: bonds (distance) C4'-P energy: -114.439 bonds (distance) P-C4' energy: -95.776 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -83.675 tors. eta vs tors. theta energy: -116.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1216.670711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.670711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.670711 (E_RNA) where: Base-Base interactions energy: -784.767 where: short stacking energy: -372.302 Base-Backbone interact. energy: 2.804 local terms energy: -434.707182 where: bonds (distance) C4'-P energy: -93.710 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -100.663 flat angles P-C4'-P energy: -56.866 tors. eta vs tors. theta energy: -70.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -818.150691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.150691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.150691 (E_RNA) where: Base-Base interactions energy: -444.653 where: short stacking energy: -274.322 Base-Backbone interact. energy: -2.898 local terms energy: -370.599820 where: bonds (distance) C4'-P energy: -118.993 bonds (distance) P-C4' energy: -94.656 flat angles C4'-P-C4' energy: -87.567 flat angles P-C4'-P energy: -45.562 tors. eta vs tors. theta energy: -23.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -715.250262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.250262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.250262 (E_RNA) where: Base-Base interactions energy: -348.519 where: short stacking energy: -192.640 Base-Backbone interact. energy: -5.044 local terms energy: -361.687309 where: bonds (distance) C4'-P energy: -116.100 bonds (distance) P-C4' energy: -107.907 flat angles C4'-P-C4' energy: -92.659 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -630.419551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.419551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.419551 (E_RNA) where: Base-Base interactions energy: -298.363 where: short stacking energy: -169.487 Base-Backbone interact. energy: -2.410 local terms energy: -329.646751 where: bonds (distance) C4'-P energy: -100.495 bonds (distance) P-C4' energy: -101.973 flat angles C4'-P-C4' energy: -85.755 flat angles P-C4'-P energy: -50.044 tors. eta vs tors. theta energy: 8.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2227.166412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.166412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.166412 (E_RNA) where: Base-Base interactions energy: -1527.934 where: short stacking energy: -632.890 Base-Backbone interact. energy: -4.437 local terms energy: -694.795379 where: bonds (distance) C4'-P energy: -126.544 bonds (distance) P-C4' energy: -130.362 flat angles C4'-P-C4' energy: -142.854 flat angles P-C4'-P energy: -101.215 tors. eta vs tors. theta energy: -193.820 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: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2159.487608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.487608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.487608 (E_RNA) where: Base-Base interactions energy: -1485.970 where: short stacking energy: -626.844 Base-Backbone interact. energy: -6.751 local terms energy: -666.766494 where: bonds (distance) C4'-P energy: -128.282 bonds (distance) P-C4' energy: -120.041 flat angles C4'-P-C4' energy: -144.947 flat angles P-C4'-P energy: -95.988 tors. eta vs tors. theta energy: -177.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2029.998656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.998656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.998656 (E_RNA) where: Base-Base interactions energy: -1364.210 where: short stacking energy: -626.432 Base-Backbone interact. energy: -0.665 local terms energy: -665.124138 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -116.635 flat angles C4'-P-C4' energy: -143.593 flat angles P-C4'-P energy: -74.612 tors. eta vs tors. theta energy: -204.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1948.531009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.531009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.531009 (E_RNA) where: Base-Base interactions energy: -1347.957 where: short stacking energy: -569.089 Base-Backbone interact. energy: -1.731 local terms energy: -598.843826 where: bonds (distance) C4'-P energy: -116.283 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -127.109 flat angles P-C4'-P energy: -88.437 tors. eta vs tors. theta energy: -153.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1815.534637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.534637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.534637 (E_RNA) where: Base-Base interactions energy: -1233.807 where: short stacking energy: -544.724 Base-Backbone interact. energy: -0.162 local terms energy: -581.565272 where: bonds (distance) C4'-P energy: -106.366 bonds (distance) P-C4' energy: -97.739 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -90.357 tors. eta vs tors. theta energy: -154.107 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: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1440.753632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.753632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.753632 (E_RNA) where: Base-Base interactions energy: -910.574 where: short stacking energy: -424.952 Base-Backbone interact. energy: -5.901 local terms energy: -524.278409 where: bonds (distance) C4'-P energy: -101.831 bonds (distance) P-C4' energy: -121.170 flat angles C4'-P-C4' energy: -118.808 flat angles P-C4'-P energy: -70.062 tors. eta vs tors. theta energy: -112.407 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: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1211.281458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.281458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.281458 (E_RNA) where: Base-Base interactions energy: -742.272 where: short stacking energy: -353.382 Base-Backbone interact. energy: 2.229 local terms energy: -471.237837 where: bonds (distance) C4'-P energy: -125.146 bonds (distance) P-C4' energy: -116.737 flat angles C4'-P-C4' energy: -105.196 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -70.247 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: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -886.092582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.092582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.092582 (E_RNA) where: Base-Base interactions energy: -481.853 where: short stacking energy: -258.439 Base-Backbone interact. energy: 1.929 local terms energy: -406.169382 where: bonds (distance) C4'-P energy: -107.537 bonds (distance) P-C4' energy: -110.679 flat angles C4'-P-C4' energy: -92.952 flat angles P-C4'-P energy: -70.860 tors. eta vs tors. theta energy: -24.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -724.591666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.591666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.591666 (E_RNA) where: Base-Base interactions energy: -393.256 where: short stacking energy: -217.049 Base-Backbone interact. energy: -2.783 local terms energy: -328.552875 where: bonds (distance) C4'-P energy: -98.709 bonds (distance) P-C4' energy: -106.646 flat angles C4'-P-C4' energy: -75.152 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -613.709868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.709868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.709868 (E_RNA) where: Base-Base interactions energy: -308.928 where: short stacking energy: -186.926 Base-Backbone interact. energy: 2.454 local terms energy: -307.235368 where: bonds (distance) C4'-P energy: -91.587 bonds (distance) P-C4' energy: -93.359 flat angles C4'-P-C4' energy: -88.440 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: 17.099 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: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2213.587170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.587170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.587170 (E_RNA) where: Base-Base interactions energy: -1543.209 where: short stacking energy: -633.086 Base-Backbone interact. energy: -4.284 local terms energy: -666.094262 where: bonds (distance) C4'-P energy: -126.372 bonds (distance) P-C4' energy: -133.056 flat angles C4'-P-C4' energy: -136.396 flat angles P-C4'-P energy: -86.110 tors. eta vs tors. theta energy: -184.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2149.566069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.566069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.566069 (E_RNA) where: Base-Base interactions energy: -1483.111 where: short stacking energy: -609.278 Base-Backbone interact. energy: -2.996 local terms energy: -663.458369 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -138.892 flat angles P-C4'-P energy: -93.307 tors. eta vs tors. theta energy: -184.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2016.848508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.848508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.848508 (E_RNA) where: Base-Base interactions energy: -1356.169 where: short stacking energy: -606.259 Base-Backbone interact. energy: -0.243 local terms energy: -660.436320 where: bonds (distance) C4'-P energy: -120.078 bonds (distance) P-C4' energy: -129.735 flat angles C4'-P-C4' energy: -137.536 flat angles P-C4'-P energy: -84.632 tors. eta vs tors. theta energy: -188.455 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: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1911.091669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.091669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.091669 (E_RNA) where: Base-Base interactions energy: -1344.382 where: short stacking energy: -540.193 Base-Backbone interact. energy: -3.928 local terms energy: -562.781882 where: bonds (distance) C4'-P energy: -108.664 bonds (distance) P-C4' energy: -104.435 flat angles C4'-P-C4' energy: -140.055 flat angles P-C4'-P energy: -78.882 tors. eta vs tors. theta energy: -130.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1796.221774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.221774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.221774 (E_RNA) where: Base-Base interactions energy: -1232.396 where: short stacking energy: -520.131 Base-Backbone interact. energy: -1.628 local terms energy: -562.197425 where: bonds (distance) C4'-P energy: -118.081 bonds (distance) P-C4' energy: -109.446 flat angles C4'-P-C4' energy: -119.185 flat angles P-C4'-P energy: -74.244 tors. eta vs tors. theta energy: -141.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1453.394630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.394630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.394630 (E_RNA) where: Base-Base interactions energy: -952.427 where: short stacking energy: -459.082 Base-Backbone interact. energy: -1.535 local terms energy: -499.432564 where: bonds (distance) C4'-P energy: -103.441 bonds (distance) P-C4' energy: -118.587 flat angles C4'-P-C4' energy: -109.903 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -114.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1160.959578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.959578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.959578 (E_RNA) where: Base-Base interactions energy: -737.956 where: short stacking energy: -340.582 Base-Backbone interact. energy: -0.490 local terms energy: -422.513660 where: bonds (distance) C4'-P energy: -112.017 bonds (distance) P-C4' energy: -107.596 flat angles C4'-P-C4' energy: -109.057 flat angles P-C4'-P energy: -34.601 tors. eta vs tors. theta energy: -59.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -877.882386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.882386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.882386 (E_RNA) where: Base-Base interactions energy: -501.817 where: short stacking energy: -258.169 Base-Backbone interact. energy: -2.027 local terms energy: -374.038360 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -114.790 flat angles C4'-P-C4' energy: -78.212 flat angles P-C4'-P energy: -60.202 tors. eta vs tors. theta energy: -28.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -732.545646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.545646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.545646 (E_RNA) where: Base-Base interactions energy: -383.069 where: short stacking energy: -200.838 Base-Backbone interact. energy: -0.575 local terms energy: -348.901521 where: bonds (distance) C4'-P energy: -92.774 bonds (distance) P-C4' energy: -106.643 flat angles C4'-P-C4' energy: -94.617 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: 1.356 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: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -597.534487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.534487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.534487 (E_RNA) where: Base-Base interactions energy: -265.202 where: short stacking energy: -173.635 Base-Backbone interact. energy: 2.336 local terms energy: -334.668659 where: bonds (distance) C4'-P energy: -79.217 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -93.885 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: 4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2202.058235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.058235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.058235 (E_RNA) where: Base-Base interactions energy: -1534.896 where: short stacking energy: -646.717 Base-Backbone interact. energy: -0.486 local terms energy: -666.676408 where: bonds (distance) C4'-P energy: -131.095 bonds (distance) P-C4' energy: -120.798 flat angles C4'-P-C4' energy: -134.654 flat angles P-C4'-P energy: -84.884 tors. eta vs tors. theta energy: -195.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2154.582396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.582396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.582396 (E_RNA) where: Base-Base interactions energy: -1485.657 where: short stacking energy: -616.686 Base-Backbone interact. energy: -0.328 local terms energy: -668.597438 where: bonds (distance) C4'-P energy: -128.437 bonds (distance) P-C4' energy: -129.018 flat angles C4'-P-C4' energy: -141.503 flat angles P-C4'-P energy: -89.470 tors. eta vs tors. theta energy: -180.171 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: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2029.081889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.081889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.081889 (E_RNA) where: Base-Base interactions energy: -1400.527 where: short stacking energy: -627.684 Base-Backbone interact. energy: -1.741 local terms energy: -626.813623 where: bonds (distance) C4'-P energy: -94.469 bonds (distance) P-C4' energy: -124.583 flat angles C4'-P-C4' energy: -139.875 flat angles P-C4'-P energy: -90.131 tors. eta vs tors. theta energy: -177.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1857.427643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.427643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.427643 (E_RNA) where: Base-Base interactions energy: -1294.347 where: short stacking energy: -522.572 Base-Backbone interact. energy: -4.349 local terms energy: -558.732146 where: bonds (distance) C4'-P energy: -95.238 bonds (distance) P-C4' energy: -116.379 flat angles C4'-P-C4' energy: -129.907 flat angles P-C4'-P energy: -84.038 tors. eta vs tors. theta energy: -133.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1803.691553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.691553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.691553 (E_RNA) where: Base-Base interactions energy: -1224.683 where: short stacking energy: -559.219 Base-Backbone interact. energy: -5.550 local terms energy: -573.458697 where: bonds (distance) C4'-P energy: -102.165 bonds (distance) P-C4' energy: -122.654 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -90.835 tors. eta vs tors. theta energy: -144.457 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: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1454.622093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.622093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.622093 (E_RNA) where: Base-Base interactions energy: -953.281 where: short stacking energy: -439.657 Base-Backbone interact. energy: -0.930 local terms energy: -500.411039 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -109.488 flat angles C4'-P-C4' energy: -105.135 flat angles P-C4'-P energy: -70.257 tors. eta vs tors. theta energy: -115.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1172.567424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.567424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.567424 (E_RNA) where: Base-Base interactions energy: -725.772 where: short stacking energy: -353.178 Base-Backbone interact. energy: -2.522 local terms energy: -444.272741 where: bonds (distance) C4'-P energy: -108.682 bonds (distance) P-C4' energy: -105.991 flat angles C4'-P-C4' energy: -103.146 flat angles P-C4'-P energy: -64.207 tors. eta vs tors. theta energy: -62.247 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: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -882.827857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.827857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.827857 (E_RNA) where: Base-Base interactions energy: -489.563 where: short stacking energy: -254.976 Base-Backbone interact. energy: -1.804 local terms energy: -391.460820 where: bonds (distance) C4'-P energy: -88.565 bonds (distance) P-C4' energy: -103.842 flat angles C4'-P-C4' energy: -106.756 flat angles P-C4'-P energy: -63.926 tors. eta vs tors. theta energy: -28.372 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: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -757.077728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.077728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.077728 (E_RNA) where: Base-Base interactions energy: -390.406 where: short stacking energy: -227.622 Base-Backbone interact. energy: -2.107 local terms energy: -364.564630 where: bonds (distance) C4'-P energy: -108.088 bonds (distance) P-C4' energy: -100.576 flat angles C4'-P-C4' energy: -98.175 flat angles P-C4'-P energy: -50.957 tors. eta vs tors. theta energy: -6.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -606.888260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.888260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.888260 (E_RNA) where: Base-Base interactions energy: -282.115 where: short stacking energy: -173.387 Base-Backbone interact. energy: 2.547 local terms energy: -327.320892 where: bonds (distance) C4'-P energy: -87.641 bonds (distance) P-C4' energy: -91.526 flat angles C4'-P-C4' energy: -99.300 flat angles P-C4'-P energy: -64.151 tors. eta vs tors. theta energy: 15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2187.275208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.275208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.275208 (E_RNA) where: Base-Base interactions energy: -1494.293 where: short stacking energy: -608.300 Base-Backbone interact. energy: -3.597 local terms energy: -689.385741 where: bonds (distance) C4'-P energy: -131.814 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -146.670 flat angles P-C4'-P energy: -86.198 tors. eta vs tors. theta energy: -185.754 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: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2159.727008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.727008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.727008 (E_RNA) where: Base-Base interactions energy: -1484.620 where: short stacking energy: -641.364 Base-Backbone interact. energy: -4.121 local terms energy: -670.985708 where: bonds (distance) C4'-P energy: -124.017 bonds (distance) P-C4' energy: -114.659 flat angles C4'-P-C4' energy: -152.459 flat angles P-C4'-P energy: -98.351 tors. eta vs tors. theta energy: -181.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2045.292282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.292282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.292282 (E_RNA) where: Base-Base interactions energy: -1374.069 where: short stacking energy: -636.461 Base-Backbone interact. energy: -2.942 local terms energy: -668.281358 where: bonds (distance) C4'-P energy: -112.982 bonds (distance) P-C4' energy: -134.836 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -86.310 tors. eta vs tors. theta energy: -191.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1928.107232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.107232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.107232 (E_RNA) where: Base-Base interactions energy: -1316.867 where: short stacking energy: -554.517 Base-Backbone interact. energy: -3.698 local terms energy: -607.541736 where: bonds (distance) C4'-P energy: -99.922 bonds (distance) P-C4' energy: -128.044 flat angles C4'-P-C4' energy: -134.315 flat angles P-C4'-P energy: -88.916 tors. eta vs tors. theta energy: -156.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1804.185551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.185551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.185551 (E_RNA) where: Base-Base interactions energy: -1220.091 where: short stacking energy: -516.576 Base-Backbone interact. energy: -2.760 local terms energy: -581.335350 where: bonds (distance) C4'-P energy: -111.669 bonds (distance) P-C4' energy: -111.402 flat angles C4'-P-C4' energy: -125.267 flat angles P-C4'-P energy: -87.241 tors. eta vs tors. theta energy: -145.756 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: 308 Temperature: 1.150000 Total energy: -1454.917968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.917968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.917968 (E_RNA) where: Base-Base interactions energy: -946.418 where: short stacking energy: -437.902 Base-Backbone interact. energy: -0.785 local terms energy: -507.714524 where: bonds (distance) C4'-P energy: -116.758 bonds (distance) P-C4' energy: -112.790 flat angles C4'-P-C4' energy: -108.252 flat angles P-C4'-P energy: -64.076 tors. eta vs tors. theta energy: -105.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1249.474189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.474189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.474189 (E_RNA) where: Base-Base interactions energy: -753.666 where: short stacking energy: -372.808 Base-Backbone interact. energy: 2.153 local terms energy: -497.961319 where: bonds (distance) C4'-P energy: -117.614 bonds (distance) P-C4' energy: -127.073 flat angles C4'-P-C4' energy: -116.951 flat angles P-C4'-P energy: -53.855 tors. eta vs tors. theta energy: -82.469 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: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -889.306151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.306151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.306151 (E_RNA) where: Base-Base interactions energy: -454.946 where: short stacking energy: -219.892 Base-Backbone interact. energy: -1.747 local terms energy: -432.612978 where: bonds (distance) C4'-P energy: -97.803 bonds (distance) P-C4' energy: -116.537 flat angles C4'-P-C4' energy: -104.057 flat angles P-C4'-P energy: -73.607 tors. eta vs tors. theta energy: -40.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -739.332994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.332994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.332994 (E_RNA) where: Base-Base interactions energy: -381.360 where: short stacking energy: -195.808 Base-Backbone interact. energy: 5.057 local terms energy: -363.029996 where: bonds (distance) C4'-P energy: -94.902 bonds (distance) P-C4' energy: -113.571 flat angles C4'-P-C4' energy: -100.716 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -595.996951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.996951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.996951 (E_RNA) where: Base-Base interactions energy: -274.496 where: short stacking energy: -174.504 Base-Backbone interact. energy: 5.073 local terms energy: -326.574295 where: bonds (distance) C4'-P energy: -112.810 bonds (distance) P-C4' energy: -87.568 flat angles C4'-P-C4' energy: -86.059 flat angles P-C4'-P energy: -46.477 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: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2190.364803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.364803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.364803 (E_RNA) where: Base-Base interactions energy: -1503.232 where: short stacking energy: -623.374 Base-Backbone interact. energy: -6.492 local terms energy: -680.641295 where: bonds (distance) C4'-P energy: -122.222 bonds (distance) P-C4' energy: -125.229 flat angles C4'-P-C4' energy: -146.909 flat angles P-C4'-P energy: -100.504 tors. eta vs tors. theta energy: -185.777 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2176.292948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.292948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.292948 (E_RNA) where: Base-Base interactions energy: -1512.467 where: short stacking energy: -631.988 Base-Backbone interact. energy: -2.085 local terms energy: -661.740633 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -129.517 flat angles C4'-P-C4' energy: -140.237 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -178.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1999.026246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.026246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.026246 (E_RNA) where: Base-Base interactions energy: -1350.423 where: short stacking energy: -611.886 Base-Backbone interact. energy: 0.422 local terms energy: -649.025077 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -136.152 flat angles P-C4'-P energy: -80.202 tors. eta vs tors. theta energy: -202.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1966.315205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.315205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.315205 (E_RNA) where: Base-Base interactions energy: -1344.791 where: short stacking energy: -580.509 Base-Backbone interact. energy: -2.667 local terms energy: -618.857913 where: bonds (distance) C4'-P energy: -126.126 bonds (distance) P-C4' energy: -114.627 flat angles C4'-P-C4' energy: -130.528 flat angles P-C4'-P energy: -82.362 tors. eta vs tors. theta energy: -165.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1782.672010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.672010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.672010 (E_RNA) where: Base-Base interactions energy: -1214.373 where: short stacking energy: -539.405 Base-Backbone interact. energy: 2.502 local terms energy: -570.801847 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -114.929 flat angles C4'-P-C4' energy: -127.082 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -147.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1410.109834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.109834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.109834 (E_RNA) where: Base-Base interactions energy: -889.217 where: short stacking energy: -430.171 Base-Backbone interact. energy: -1.775 local terms energy: -519.118443 where: bonds (distance) C4'-P energy: -91.710 bonds (distance) P-C4' energy: -114.359 flat angles C4'-P-C4' energy: -117.989 flat angles P-C4'-P energy: -86.036 tors. eta vs tors. theta energy: -109.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1224.707611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.707611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.707611 (E_RNA) where: Base-Base interactions energy: -744.029 where: short stacking energy: -332.516 Base-Backbone interact. energy: -0.619 local terms energy: -480.059222 where: bonds (distance) C4'-P energy: -109.129 bonds (distance) P-C4' energy: -120.511 flat angles C4'-P-C4' energy: -122.151 flat angles P-C4'-P energy: -62.840 tors. eta vs tors. theta energy: -65.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -937.024966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.024966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.024966 (E_RNA) where: Base-Base interactions energy: -537.627 where: short stacking energy: -290.250 Base-Backbone interact. energy: 7.487 local terms energy: -406.885180 where: bonds (distance) C4'-P energy: -98.534 bonds (distance) P-C4' energy: -100.289 flat angles C4'-P-C4' energy: -117.234 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -37.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -756.848582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.848582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.848582 (E_RNA) where: Base-Base interactions energy: -365.779 where: short stacking energy: -207.766 Base-Backbone interact. energy: -2.146 local terms energy: -388.923241 where: bonds (distance) C4'-P energy: -107.593 bonds (distance) P-C4' energy: -115.235 flat angles C4'-P-C4' energy: -95.549 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: -7.245 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: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -606.851314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.851314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.851314 (E_RNA) where: Base-Base interactions energy: -266.741 where: short stacking energy: -169.580 Base-Backbone interact. energy: 7.507 local terms energy: -347.617579 where: bonds (distance) C4'-P energy: -91.195 bonds (distance) P-C4' energy: -112.279 flat angles C4'-P-C4' energy: -85.367 flat angles P-C4'-P energy: -68.398 tors. eta vs tors. theta energy: 9.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2245.298345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.298345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.298345 (E_RNA) where: Base-Base interactions energy: -1558.711 where: short stacking energy: -648.836 Base-Backbone interact. energy: -7.519 local terms energy: -679.068086 where: bonds (distance) C4'-P energy: -127.310 bonds (distance) P-C4' energy: -123.016 flat angles C4'-P-C4' energy: -147.303 flat angles P-C4'-P energy: -97.273 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: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2167.925658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.925658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.925658 (E_RNA) where: Base-Base interactions energy: -1520.985 where: short stacking energy: -621.022 Base-Backbone interact. energy: -4.805 local terms energy: -642.135855 where: bonds (distance) C4'-P energy: -118.836 bonds (distance) P-C4' energy: -121.609 flat angles C4'-P-C4' energy: -138.247 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -179.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1982.906991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.906991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.906991 (E_RNA) where: Base-Base interactions energy: -1400.685 where: short stacking energy: -574.362 Base-Backbone interact. energy: -5.899 local terms energy: -576.322816 where: bonds (distance) C4'-P energy: -92.491 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -127.715 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -153.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1948.169841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.169841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.169841 (E_RNA) where: Base-Base interactions energy: -1323.860 where: short stacking energy: -576.963 Base-Backbone interact. energy: -3.464 local terms energy: -620.845460 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -110.441 flat angles C4'-P-C4' energy: -140.609 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -169.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1796.267952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.267952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.267952 (E_RNA) where: Base-Base interactions energy: -1217.027 where: short stacking energy: -526.708 Base-Backbone interact. energy: -0.200 local terms energy: -579.041269 where: bonds (distance) C4'-P energy: -98.437 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -134.772 flat angles P-C4'-P energy: -88.144 tors. eta vs tors. theta energy: -147.095 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: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1433.003731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.003731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.003731 (E_RNA) where: Base-Base interactions energy: -918.614 where: short stacking energy: -397.677 Base-Backbone interact. energy: -2.836 local terms energy: -511.554479 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -111.938 flat angles C4'-P-C4' energy: -109.389 flat angles P-C4'-P energy: -82.525 tors. eta vs tors. theta energy: -97.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1266.928463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.928463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.928463 (E_RNA) where: Base-Base interactions energy: -786.846 where: short stacking energy: -346.144 Base-Backbone interact. energy: -3.431 local terms energy: -476.651529 where: bonds (distance) C4'-P energy: -108.736 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -70.089 tors. eta vs tors. theta energy: -81.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -903.860664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.860664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.860664 (E_RNA) where: Base-Base interactions energy: -456.411 where: short stacking energy: -247.124 Base-Backbone interact. energy: -0.785 local terms energy: -446.664990 where: bonds (distance) C4'-P energy: -121.616 bonds (distance) P-C4' energy: -114.951 flat angles C4'-P-C4' energy: -107.769 flat angles P-C4'-P energy: -53.193 tors. eta vs tors. theta energy: -49.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -726.349873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.349873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.349873 (E_RNA) where: Base-Base interactions energy: -384.505 where: short stacking energy: -208.657 Base-Backbone interact. energy: -1.702 local terms energy: -340.142312 where: bonds (distance) C4'-P energy: -94.485 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -88.018 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: 12.547 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: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -583.510528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.510528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.510528 (E_RNA) where: Base-Base interactions energy: -261.345 where: short stacking energy: -181.271 Base-Backbone interact. energy: 0.606 local terms energy: -322.771805 where: bonds (distance) C4'-P energy: -100.646 bonds (distance) P-C4' energy: -102.913 flat angles C4'-P-C4' energy: -75.699 flat angles P-C4'-P energy: -57.424 tors. eta vs tors. theta energy: 13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2206.657021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.657021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.657021 (E_RNA) where: Base-Base interactions energy: -1510.919 where: short stacking energy: -616.048 Base-Backbone interact. energy: -0.595 local terms energy: -695.142775 where: bonds (distance) C4'-P energy: -129.815 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -140.793 flat angles P-C4'-P energy: -96.988 tors. eta vs tors. theta energy: -190.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2162.119909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.119909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.119909 (E_RNA) where: Base-Base interactions energy: -1492.632 where: short stacking energy: -603.956 Base-Backbone interact. energy: -2.737 local terms energy: -666.751013 where: bonds (distance) C4'-P energy: -125.645 bonds (distance) P-C4' energy: -125.192 flat angles C4'-P-C4' energy: -149.865 flat angles P-C4'-P energy: -81.797 tors. eta vs tors. theta energy: -184.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1961.664218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.664218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.664218 (E_RNA) where: Base-Base interactions energy: -1356.665 where: short stacking energy: -553.425 Base-Backbone interact. energy: 0.591 local terms energy: -605.589688 where: bonds (distance) C4'-P energy: -124.502 bonds (distance) P-C4' energy: -123.992 flat angles C4'-P-C4' energy: -139.202 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -139.839 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: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1945.787625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.787625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.787625 (E_RNA) where: Base-Base interactions energy: -1309.840 where: short stacking energy: -586.098 Base-Backbone interact. energy: 0.304 local terms energy: -636.252025 where: bonds (distance) C4'-P energy: -113.429 bonds (distance) P-C4' energy: -131.133 flat angles C4'-P-C4' energy: -133.490 flat angles P-C4'-P energy: -76.831 tors. eta vs tors. theta energy: -181.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1823.531406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.531406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.531406 (E_RNA) where: Base-Base interactions energy: -1253.297 where: short stacking energy: -516.434 Base-Backbone interact. energy: -0.759 local terms energy: -569.475100 where: bonds (distance) C4'-P energy: -99.849 bonds (distance) P-C4' energy: -113.819 flat angles C4'-P-C4' energy: -126.520 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -141.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1408.084217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.084217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.084217 (E_RNA) where: Base-Base interactions energy: -910.599 where: short stacking energy: -436.544 Base-Backbone interact. energy: 2.797 local terms energy: -500.281592 where: bonds (distance) C4'-P energy: -99.113 bonds (distance) P-C4' energy: -112.810 flat angles C4'-P-C4' energy: -107.352 flat angles P-C4'-P energy: -78.996 tors. eta vs tors. theta energy: -102.010 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: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1263.942603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.942603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.942603 (E_RNA) where: Base-Base interactions energy: -844.807 where: short stacking energy: -372.105 Base-Backbone interact. energy: 10.824 local terms energy: -429.959286 where: bonds (distance) C4'-P energy: -108.818 bonds (distance) P-C4' energy: -109.194 flat angles C4'-P-C4' energy: -94.353 flat angles P-C4'-P energy: -64.339 tors. eta vs tors. theta energy: -53.255 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: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -843.780331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.780331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.780331 (E_RNA) where: Base-Base interactions energy: -458.219 where: short stacking energy: -239.627 Base-Backbone interact. energy: -0.659 local terms energy: -384.902012 where: bonds (distance) C4'-P energy: -96.573 bonds (distance) P-C4' energy: -121.719 flat angles C4'-P-C4' energy: -96.676 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -17.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -725.645273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.645273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.645273 (E_RNA) where: Base-Base interactions energy: -343.670 where: short stacking energy: -184.119 Base-Backbone interact. energy: 3.405 local terms energy: -385.379858 where: bonds (distance) C4'-P energy: -105.598 bonds (distance) P-C4' energy: -106.015 flat angles C4'-P-C4' energy: -95.323 flat angles P-C4'-P energy: -82.033 tors. eta vs tors. theta energy: 3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -604.823858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.823858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.823858 (E_RNA) where: Base-Base interactions energy: -273.006 where: short stacking energy: -158.122 Base-Backbone interact. energy: 2.969 local terms energy: -334.787585 where: bonds (distance) C4'-P energy: -103.881 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: 23.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2191.469583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.469583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.469583 (E_RNA) where: Base-Base interactions energy: -1506.409 where: short stacking energy: -624.825 Base-Backbone interact. energy: -4.553 local terms energy: -680.507216 where: bonds (distance) C4'-P energy: -110.455 bonds (distance) P-C4' energy: -141.484 flat angles C4'-P-C4' energy: -147.347 flat angles P-C4'-P energy: -99.379 tors. eta vs tors. theta energy: -181.842 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: 312 Temperature: 0.950000 Total energy: -2165.847897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.847897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.847897 (E_RNA) where: Base-Base interactions energy: -1517.650 where: short stacking energy: -635.264 Base-Backbone interact. energy: -1.215 local terms energy: -646.983716 where: bonds (distance) C4'-P energy: -127.710 bonds (distance) P-C4' energy: -108.367 flat angles C4'-P-C4' energy: -149.940 flat angles P-C4'-P energy: -89.544 tors. eta vs tors. theta energy: -171.424 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: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1952.555419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.555419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.555419 (E_RNA) where: Base-Base interactions energy: -1356.669 where: short stacking energy: -562.490 Base-Backbone interact. energy: -3.599 local terms energy: -592.287498 where: bonds (distance) C4'-P energy: -106.435 bonds (distance) P-C4' energy: -127.104 flat angles C4'-P-C4' energy: -129.525 flat angles P-C4'-P energy: -88.424 tors. eta vs tors. theta energy: -140.799 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: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1962.893803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.893803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.893803 (E_RNA) where: Base-Base interactions energy: -1358.740 where: short stacking energy: -598.817 Base-Backbone interact. energy: -0.549 local terms energy: -603.605308 where: bonds (distance) C4'-P energy: -101.550 bonds (distance) P-C4' energy: -111.472 flat angles C4'-P-C4' energy: -134.652 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -173.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1845.249004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.249004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.249004 (E_RNA) where: Base-Base interactions energy: -1261.968 where: short stacking energy: -530.159 Base-Backbone interact. energy: -2.066 local terms energy: -581.214787 where: bonds (distance) C4'-P energy: -106.201 bonds (distance) P-C4' energy: -119.901 flat angles C4'-P-C4' energy: -131.297 flat angles P-C4'-P energy: -75.571 tors. eta vs tors. theta energy: -148.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1407.577367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.577367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.577367 (E_RNA) where: Base-Base interactions energy: -875.631 where: short stacking energy: -441.404 Base-Backbone interact. energy: -1.524 local terms energy: -530.421653 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -126.364 flat angles C4'-P-C4' energy: -115.189 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -103.966 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: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1267.480001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.480001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.480001 (E_RNA) where: Base-Base interactions energy: -847.635 where: short stacking energy: -390.056 Base-Backbone interact. energy: 3.776 local terms energy: -423.621524 where: bonds (distance) C4'-P energy: -99.705 bonds (distance) P-C4' energy: -93.026 flat angles C4'-P-C4' energy: -101.406 flat angles P-C4'-P energy: -58.144 tors. eta vs tors. theta energy: -71.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -846.735750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.735750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.735750 (E_RNA) where: Base-Base interactions energy: -450.623 where: short stacking energy: -265.193 Base-Backbone interact. energy: -0.234 local terms energy: -395.878794 where: bonds (distance) C4'-P energy: -102.656 bonds (distance) P-C4' energy: -111.034 flat angles C4'-P-C4' energy: -92.897 flat angles P-C4'-P energy: -56.771 tors. eta vs tors. theta energy: -32.520 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: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -650.995360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.995360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.995360 (E_RNA) where: Base-Base interactions energy: -274.557 where: short stacking energy: -178.692 Base-Backbone interact. energy: 1.864 local terms energy: -378.302909 where: bonds (distance) C4'-P energy: -113.288 bonds (distance) P-C4' energy: -107.548 flat angles C4'-P-C4' energy: -95.085 flat angles P-C4'-P energy: -59.986 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -671.771513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.771513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.771513 (E_RNA) where: Base-Base interactions energy: -315.676 where: short stacking energy: -193.290 Base-Backbone interact. energy: -1.345 local terms energy: -354.751212 where: bonds (distance) C4'-P energy: -106.536 bonds (distance) P-C4' energy: -111.536 flat angles C4'-P-C4' energy: -90.309 flat angles P-C4'-P energy: -56.443 tors. eta vs tors. theta energy: 10.073 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: 313 Temperature: 0.900000 Total energy: -2208.414886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.414886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.414886 (E_RNA) where: Base-Base interactions energy: -1547.975 where: short stacking energy: -640.662 Base-Backbone interact. energy: -2.515 local terms energy: -657.924664 where: bonds (distance) C4'-P energy: -109.332 bonds (distance) P-C4' energy: -129.962 flat angles C4'-P-C4' energy: -137.498 flat angles P-C4'-P energy: -92.692 tors. eta vs tors. theta energy: -188.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2173.222976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.222976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.222976 (E_RNA) where: Base-Base interactions energy: -1532.690 where: short stacking energy: -639.367 Base-Backbone interact. energy: 2.261 local terms energy: -642.794385 where: bonds (distance) C4'-P energy: -121.427 bonds (distance) P-C4' energy: -111.189 flat angles C4'-P-C4' energy: -144.887 flat angles P-C4'-P energy: -94.137 tors. eta vs tors. theta energy: -171.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2018.599396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.599396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.599396 (E_RNA) where: Base-Base interactions energy: -1398.147 where: short stacking energy: -583.974 Base-Backbone interact. energy: 4.018 local terms energy: -624.470143 where: bonds (distance) C4'-P energy: -129.407 bonds (distance) P-C4' energy: -108.154 flat angles C4'-P-C4' energy: -130.782 flat angles P-C4'-P energy: -91.786 tors. eta vs tors. theta energy: -164.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1945.443078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.443078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.443078 (E_RNA) where: Base-Base interactions energy: -1299.202 where: short stacking energy: -574.719 Base-Backbone interact. energy: -1.040 local terms energy: -645.201069 where: bonds (distance) C4'-P energy: -111.070 bonds (distance) P-C4' energy: -111.478 flat angles C4'-P-C4' energy: -145.610 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -181.064 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: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1776.077181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.077181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.077181 (E_RNA) where: Base-Base interactions energy: -1209.890 where: short stacking energy: -549.726 Base-Backbone interact. energy: -1.855 local terms energy: -564.331584 where: bonds (distance) C4'-P energy: -102.396 bonds (distance) P-C4' energy: -108.662 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: -156.707 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: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1401.747633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.747633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.747633 (E_RNA) where: Base-Base interactions energy: -917.126 where: short stacking energy: -438.840 Base-Backbone interact. energy: -4.836 local terms energy: -479.785357 where: bonds (distance) C4'-P energy: -108.228 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -110.225 flat angles P-C4'-P energy: -72.177 tors. eta vs tors. theta energy: -96.700 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: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1263.566013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.566013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.566013 (E_RNA) where: Base-Base interactions energy: -783.655 where: short stacking energy: -375.524 Base-Backbone interact. energy: 1.457 local terms energy: -481.368655 where: bonds (distance) C4'-P energy: -104.380 bonds (distance) P-C4' energy: -100.436 flat angles C4'-P-C4' energy: -115.216 flat angles P-C4'-P energy: -80.558 tors. eta vs tors. theta energy: -80.779 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: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -873.861733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.861733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.861733 (E_RNA) where: Base-Base interactions energy: -477.647 where: short stacking energy: -229.276 Base-Backbone interact. energy: 1.929 local terms energy: -398.143702 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -123.643 flat angles C4'-P-C4' energy: -97.944 flat angles P-C4'-P energy: -65.570 tors. eta vs tors. theta energy: -10.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -635.726578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.726578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.726578 (E_RNA) where: Base-Base interactions energy: -310.667 where: short stacking energy: -182.925 Base-Backbone interact. energy: 0.077 local terms energy: -325.136905 where: bonds (distance) C4'-P energy: -107.157 bonds (distance) P-C4' energy: -116.496 flat angles C4'-P-C4' energy: -79.271 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: 25.314 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: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -664.291408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.291408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.291408 (E_RNA) where: Base-Base interactions energy: -328.907 where: short stacking energy: -215.411 Base-Backbone interact. energy: 8.014 local terms energy: -343.398394 where: bonds (distance) C4'-P energy: -86.045 bonds (distance) P-C4' energy: -90.215 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -5.221 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: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2212.921227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.921227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.921227 (E_RNA) where: Base-Base interactions energy: -1567.485 where: short stacking energy: -650.664 Base-Backbone interact. energy: -6.287 local terms energy: -639.148610 where: bonds (distance) C4'-P energy: -112.682 bonds (distance) P-C4' energy: -131.031 flat angles C4'-P-C4' energy: -136.544 flat angles P-C4'-P energy: -89.452 tors. eta vs tors. theta energy: -169.439 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: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2140.739644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.739644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.739644 (E_RNA) where: Base-Base interactions energy: -1499.328 where: short stacking energy: -606.861 Base-Backbone interact. energy: -3.068 local terms energy: -638.343790 where: bonds (distance) C4'-P energy: -120.316 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -143.919 flat angles P-C4'-P energy: -77.955 tors. eta vs tors. theta energy: -174.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1989.670200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.670200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.670200 (E_RNA) where: Base-Base interactions energy: -1356.340 where: short stacking energy: -583.157 Base-Backbone interact. energy: -3.516 local terms energy: -629.813525 where: bonds (distance) C4'-P energy: -114.876 bonds (distance) P-C4' energy: -119.526 flat angles C4'-P-C4' energy: -142.830 flat angles P-C4'-P energy: -89.914 tors. eta vs tors. theta energy: -162.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1911.547788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.547788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.547788 (E_RNA) where: Base-Base interactions energy: -1292.781 where: short stacking energy: -564.907 Base-Backbone interact. energy: -2.057 local terms energy: -616.709747 where: bonds (distance) C4'-P energy: -104.637 bonds (distance) P-C4' energy: -130.118 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -96.859 tors. eta vs tors. theta energy: -162.152 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: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1785.188542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.188542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.188542 (E_RNA) where: Base-Base interactions energy: -1222.945 where: short stacking energy: -512.072 Base-Backbone interact. energy: -5.459 local terms energy: -556.784678 where: bonds (distance) C4'-P energy: -104.016 bonds (distance) P-C4' energy: -102.752 flat angles C4'-P-C4' energy: -118.680 flat angles P-C4'-P energy: -84.386 tors. eta vs tors. theta energy: -146.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1375.852798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.852798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.852798 (E_RNA) where: Base-Base interactions energy: -888.971 where: short stacking energy: -414.719 Base-Backbone interact. energy: 8.513 local terms energy: -495.394229 where: bonds (distance) C4'-P energy: -115.661 bonds (distance) P-C4' energy: -105.868 flat angles C4'-P-C4' energy: -117.674 flat angles P-C4'-P energy: -75.719 tors. eta vs tors. theta energy: -80.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1302.285626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.285626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.285626 (E_RNA) where: Base-Base interactions energy: -814.286 where: short stacking energy: -392.345 Base-Backbone interact. energy: -1.868 local terms energy: -486.131366 where: bonds (distance) C4'-P energy: -98.487 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -113.627 flat angles P-C4'-P energy: -72.020 tors. eta vs tors. theta energy: -94.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -910.605543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.605543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.605543 (E_RNA) where: Base-Base interactions energy: -521.482 where: short stacking energy: -261.011 Base-Backbone interact. energy: -0.167 local terms energy: -388.956830 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -109.891 flat angles C4'-P-C4' energy: -93.104 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -26.223 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: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -747.964141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.964141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.964141 (E_RNA) where: Base-Base interactions energy: -377.470 where: short stacking energy: -230.703 Base-Backbone interact. energy: -0.729 local terms energy: -369.765121 where: bonds (distance) C4'-P energy: -92.320 bonds (distance) P-C4' energy: -110.390 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -50.545 tors. eta vs tors. theta energy: -19.544 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: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -604.321359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.321359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.321359 (E_RNA) where: Base-Base interactions energy: -315.488 where: short stacking energy: -194.642 Base-Backbone interact. energy: -2.102 local terms energy: -286.732169 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -99.990 flat angles C4'-P-C4' energy: -72.782 flat angles P-C4'-P energy: -57.320 tors. eta vs tors. theta energy: 26.955 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: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2211.006946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.006946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.006946 (E_RNA) where: Base-Base interactions energy: -1530.767 where: short stacking energy: -656.925 Base-Backbone interact. energy: -3.116 local terms energy: -677.123315 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -131.904 flat angles C4'-P-C4' energy: -142.789 flat angles P-C4'-P energy: -106.413 tors. eta vs tors. theta energy: -172.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2156.095231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.095231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.095231 (E_RNA) where: Base-Base interactions energy: -1498.491 where: short stacking energy: -632.432 Base-Backbone interact. energy: -3.935 local terms energy: -653.669138 where: bonds (distance) C4'-P energy: -111.666 bonds (distance) P-C4' energy: -114.444 flat angles C4'-P-C4' energy: -145.100 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -188.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1951.008515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.008515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.008515 (E_RNA) where: Base-Base interactions energy: -1327.137 where: short stacking energy: -542.592 Base-Backbone interact. energy: -2.555 local terms energy: -621.317287 where: bonds (distance) C4'-P energy: -133.641 bonds (distance) P-C4' energy: -130.411 flat angles C4'-P-C4' energy: -138.703 flat angles P-C4'-P energy: -87.518 tors. eta vs tors. theta energy: -131.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1917.790198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.790198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.790198 (E_RNA) where: Base-Base interactions energy: -1300.762 where: short stacking energy: -565.355 Base-Backbone interact. energy: -3.708 local terms energy: -613.320227 where: bonds (distance) C4'-P energy: -117.371 bonds (distance) P-C4' energy: -118.691 flat angles C4'-P-C4' energy: -124.201 flat angles P-C4'-P energy: -86.878 tors. eta vs tors. theta energy: -166.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1775.907408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.907408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.907408 (E_RNA) where: Base-Base interactions energy: -1224.505 where: short stacking energy: -522.968 Base-Backbone interact. energy: 7.378 local terms energy: -558.780549 where: bonds (distance) C4'-P energy: -113.362 bonds (distance) P-C4' energy: -97.182 flat angles C4'-P-C4' energy: -122.666 flat angles P-C4'-P energy: -87.326 tors. eta vs tors. theta energy: -138.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1367.793888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.793888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.793888 (E_RNA) where: Base-Base interactions energy: -858.015 where: short stacking energy: -390.502 Base-Backbone interact. energy: -0.374 local terms energy: -509.404829 where: bonds (distance) C4'-P energy: -116.400 bonds (distance) P-C4' energy: -128.644 flat angles C4'-P-C4' energy: -112.925 flat angles P-C4'-P energy: -69.759 tors. eta vs tors. theta energy: -81.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1241.271805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.271805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.271805 (E_RNA) where: Base-Base interactions energy: -755.548 where: short stacking energy: -370.610 Base-Backbone interact. energy: -3.264 local terms energy: -482.459879 where: bonds (distance) C4'-P energy: -110.638 bonds (distance) P-C4' energy: -117.353 flat angles C4'-P-C4' energy: -110.304 flat angles P-C4'-P energy: -69.592 tors. eta vs tors. theta energy: -74.573 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -915.474728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.474728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.474728 (E_RNA) where: Base-Base interactions energy: -528.658 where: short stacking energy: -298.347 Base-Backbone interact. energy: -3.756 local terms energy: -383.061447 where: bonds (distance) C4'-P energy: -90.657 bonds (distance) P-C4' energy: -89.533 flat angles C4'-P-C4' energy: -98.555 flat angles P-C4'-P energy: -70.272 tors. eta vs tors. theta energy: -34.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -718.113614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.113614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.113614 (E_RNA) where: Base-Base interactions energy: -378.981 where: short stacking energy: -223.288 Base-Backbone interact. energy: 7.565 local terms energy: -346.697212 where: bonds (distance) C4'-P energy: -103.238 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -89.603 flat angles P-C4'-P energy: -52.121 tors. eta vs tors. theta energy: -11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -604.881315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.881315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.881315 (E_RNA) where: Base-Base interactions energy: -262.733 where: short stacking energy: -153.514 Base-Backbone interact. energy: -1.993 local terms energy: -340.155337 where: bonds (distance) C4'-P energy: -105.049 bonds (distance) P-C4' energy: -115.098 flat angles C4'-P-C4' energy: -88.682 flat angles P-C4'-P energy: -48.425 tors. eta vs tors. theta energy: 17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2217.291914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.291914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.291914 (E_RNA) where: Base-Base interactions energy: -1543.030 where: short stacking energy: -624.278 Base-Backbone interact. energy: 1.033 local terms energy: -675.295393 where: bonds (distance) C4'-P energy: -126.445 bonds (distance) P-C4' energy: -128.512 flat angles C4'-P-C4' energy: -152.282 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -168.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2126.837749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.837749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.837749 (E_RNA) where: Base-Base interactions energy: -1477.477 where: short stacking energy: -595.588 Base-Backbone interact. energy: -3.663 local terms energy: -645.697478 where: bonds (distance) C4'-P energy: -120.132 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -135.925 flat angles P-C4'-P energy: -86.322 tors. eta vs tors. theta energy: -171.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1963.255521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.255521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.255521 (E_RNA) where: Base-Base interactions energy: -1332.216 where: short stacking energy: -587.760 Base-Backbone interact. energy: 0.155 local terms energy: -631.194630 where: bonds (distance) C4'-P energy: -129.382 bonds (distance) P-C4' energy: -109.952 flat angles C4'-P-C4' energy: -131.622 flat angles P-C4'-P energy: -79.640 tors. eta vs tors. theta energy: -180.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1892.186093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.186093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.186093 (E_RNA) where: Base-Base interactions energy: -1289.788 where: short stacking energy: -526.928 Base-Backbone interact. energy: -4.214 local terms energy: -598.184600 where: bonds (distance) C4'-P energy: -122.399 bonds (distance) P-C4' energy: -118.849 flat angles C4'-P-C4' energy: -126.818 flat angles P-C4'-P energy: -85.569 tors. eta vs tors. theta energy: -144.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1793.735348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.735348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.735348 (E_RNA) where: Base-Base interactions energy: -1215.450 where: short stacking energy: -520.144 Base-Backbone interact. energy: 1.959 local terms energy: -580.244598 where: bonds (distance) C4'-P energy: -114.182 bonds (distance) P-C4' energy: -116.147 flat angles C4'-P-C4' energy: -135.463 flat angles P-C4'-P energy: -76.150 tors. eta vs tors. theta energy: -138.303 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: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1405.470346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.470346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.470346 (E_RNA) where: Base-Base interactions energy: -907.857 where: short stacking energy: -445.946 Base-Backbone interact. energy: 2.620 local terms energy: -500.233357 where: bonds (distance) C4'-P energy: -117.726 bonds (distance) P-C4' energy: -104.744 flat angles C4'-P-C4' energy: -116.374 flat angles P-C4'-P energy: -68.156 tors. eta vs tors. theta energy: -93.234 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: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1257.316761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.316761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.316761 (E_RNA) where: Base-Base interactions energy: -792.214 where: short stacking energy: -364.338 Base-Backbone interact. energy: 1.694 local terms energy: -466.796963 where: bonds (distance) C4'-P energy: -104.748 bonds (distance) P-C4' energy: -86.595 flat angles C4'-P-C4' energy: -113.461 flat angles P-C4'-P energy: -81.827 tors. eta vs tors. theta energy: -80.166 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: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -946.882531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.882531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.882531 (E_RNA) where: Base-Base interactions energy: -546.331 where: short stacking energy: -297.306 Base-Backbone interact. energy: -0.853 local terms energy: -399.698865 where: bonds (distance) C4'-P energy: -99.485 bonds (distance) P-C4' energy: -117.372 flat angles C4'-P-C4' energy: -94.798 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: -52.517 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: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -678.947036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.947036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.947036 (E_RNA) where: Base-Base interactions energy: -332.447 where: short stacking energy: -192.261 Base-Backbone interact. energy: -0.230 local terms energy: -346.269957 where: bonds (distance) C4'-P energy: -89.208 bonds (distance) P-C4' energy: -110.509 flat angles C4'-P-C4' energy: -85.811 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -8.484 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: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -579.315364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.315364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.315364 (E_RNA) where: Base-Base interactions energy: -267.156 where: short stacking energy: -141.029 Base-Backbone interact. energy: 3.718 local terms energy: -315.876815 where: bonds (distance) C4'-P energy: -87.769 bonds (distance) P-C4' energy: -101.687 flat angles C4'-P-C4' energy: -102.920 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: 29.449 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: 317 Temperature: 0.900000 Total energy: -2229.987954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.987954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.987954 (E_RNA) where: Base-Base interactions energy: -1543.068 where: short stacking energy: -661.131 Base-Backbone interact. energy: -3.285 local terms energy: -683.634549 where: bonds (distance) C4'-P energy: -124.286 bonds (distance) P-C4' energy: -135.372 flat angles C4'-P-C4' energy: -138.965 flat angles P-C4'-P energy: -102.873 tors. eta vs tors. theta energy: -182.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2141.713353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.713353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.713353 (E_RNA) where: Base-Base interactions energy: -1482.414 where: short stacking energy: -625.836 Base-Backbone interact. energy: -1.099 local terms energy: -658.201046 where: bonds (distance) C4'-P energy: -119.459 bonds (distance) P-C4' energy: -126.761 flat angles C4'-P-C4' energy: -136.825 flat angles P-C4'-P energy: -98.407 tors. eta vs tors. theta energy: -176.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1975.268779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.268779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.268779 (E_RNA) where: Base-Base interactions energy: -1342.876 where: short stacking energy: -596.291 Base-Backbone interact. energy: -1.897 local terms energy: -630.496113 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -137.840 flat angles P-C4'-P energy: -79.452 tors. eta vs tors. theta energy: -181.638 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: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1929.576048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.576048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.576048 (E_RNA) where: Base-Base interactions energy: -1333.041 where: short stacking energy: -575.737 Base-Backbone interact. energy: -0.368 local terms energy: -596.167339 where: bonds (distance) C4'-P energy: -111.351 bonds (distance) P-C4' energy: -114.757 flat angles C4'-P-C4' energy: -123.648 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -149.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1810.856480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.856480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.856480 (E_RNA) where: Base-Base interactions energy: -1237.107 where: short stacking energy: -544.042 Base-Backbone interact. energy: 0.429 local terms energy: -574.178138 where: bonds (distance) C4'-P energy: -103.492 bonds (distance) P-C4' energy: -114.136 flat angles C4'-P-C4' energy: -125.899 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -148.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1393.526193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.526193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.526193 (E_RNA) where: Base-Base interactions energy: -877.703 where: short stacking energy: -419.678 Base-Backbone interact. energy: -2.989 local terms energy: -512.835029 where: bonds (distance) C4'-P energy: -107.673 bonds (distance) P-C4' energy: -117.775 flat angles C4'-P-C4' energy: -118.667 flat angles P-C4'-P energy: -71.610 tors. eta vs tors. theta energy: -97.110 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: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1262.284687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.284687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.284687 (E_RNA) where: Base-Base interactions energy: -757.154 where: short stacking energy: -381.352 Base-Backbone interact. energy: -1.634 local terms energy: -503.496644 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -111.629 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -88.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -999.282354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.282354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.282354 (E_RNA) where: Base-Base interactions energy: -578.323 where: short stacking energy: -276.477 Base-Backbone interact. energy: 2.233 local terms energy: -423.192022 where: bonds (distance) C4'-P energy: -113.201 bonds (distance) P-C4' energy: -116.101 flat angles C4'-P-C4' energy: -97.190 flat angles P-C4'-P energy: -67.116 tors. eta vs tors. theta energy: -29.584 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: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -613.244663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.244663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.244663 (E_RNA) where: Base-Base interactions energy: -238.235 where: short stacking energy: -178.034 Base-Backbone interact. energy: -1.383 local terms energy: -373.626271 where: bonds (distance) C4'-P energy: -107.736 bonds (distance) P-C4' energy: -122.519 flat angles C4'-P-C4' energy: -79.630 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -15.423 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: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -639.869342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.869342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.869342 (E_RNA) where: Base-Base interactions energy: -292.665 where: short stacking energy: -151.243 Base-Backbone interact. energy: -2.929 local terms energy: -344.275471 where: bonds (distance) C4'-P energy: -108.178 bonds (distance) P-C4' energy: -88.605 flat angles C4'-P-C4' energy: -98.035 flat angles P-C4'-P energy: -53.307 tors. eta vs tors. theta energy: 3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2223.970771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.970771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.970771 (E_RNA) where: Base-Base interactions energy: -1534.973 where: short stacking energy: -633.854 Base-Backbone interact. energy: -5.460 local terms energy: -683.536949 where: bonds (distance) C4'-P energy: -122.935 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -139.950 flat angles P-C4'-P energy: -92.392 tors. eta vs tors. theta energy: -187.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2127.271200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.271200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.271200 (E_RNA) where: Base-Base interactions energy: -1485.093 where: short stacking energy: -620.256 Base-Backbone interact. energy: -1.075 local terms energy: -641.103228 where: bonds (distance) C4'-P energy: -111.561 bonds (distance) P-C4' energy: -117.447 flat angles C4'-P-C4' energy: -145.001 flat angles P-C4'-P energy: -85.747 tors. eta vs tors. theta energy: -181.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2005.967129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.967129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.967129 (E_RNA) where: Base-Base interactions energy: -1368.033 where: short stacking energy: -593.976 Base-Backbone interact. energy: 2.675 local terms energy: -640.609252 where: bonds (distance) C4'-P energy: -122.188 bonds (distance) P-C4' energy: -114.995 flat angles C4'-P-C4' energy: -139.321 flat angles P-C4'-P energy: -85.654 tors. eta vs tors. theta energy: -178.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1920.172633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.172633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.172633 (E_RNA) where: Base-Base interactions energy: -1308.347 where: short stacking energy: -561.832 Base-Backbone interact. energy: -3.911 local terms energy: -607.915056 where: bonds (distance) C4'-P energy: -114.104 bonds (distance) P-C4' energy: -126.137 flat angles C4'-P-C4' energy: -121.369 flat angles P-C4'-P energy: -96.971 tors. eta vs tors. theta energy: -149.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1775.090043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.090043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.090043 (E_RNA) where: Base-Base interactions energy: -1190.144 where: short stacking energy: -540.932 Base-Backbone interact. energy: -1.947 local terms energy: -582.999417 where: bonds (distance) C4'-P energy: -115.348 bonds (distance) P-C4' energy: -114.677 flat angles C4'-P-C4' energy: -129.308 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -149.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1427.290137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.290137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.290137 (E_RNA) where: Base-Base interactions energy: -954.544 where: short stacking energy: -428.463 Base-Backbone interact. energy: -3.066 local terms energy: -469.680381 where: bonds (distance) C4'-P energy: -100.903 bonds (distance) P-C4' energy: -109.565 flat angles C4'-P-C4' energy: -102.305 flat angles P-C4'-P energy: -63.805 tors. eta vs tors. theta energy: -93.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1199.269362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.269362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.269362 (E_RNA) where: Base-Base interactions energy: -725.957 where: short stacking energy: -361.290 Base-Backbone interact. energy: 3.497 local terms energy: -476.809997 where: bonds (distance) C4'-P energy: -94.680 bonds (distance) P-C4' energy: -111.743 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -82.990 tors. eta vs tors. theta energy: -79.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -931.637311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.637311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.637311 (E_RNA) where: Base-Base interactions energy: -520.767 where: short stacking energy: -251.503 Base-Backbone interact. energy: -0.687 local terms energy: -410.183235 where: bonds (distance) C4'-P energy: -102.309 bonds (distance) P-C4' energy: -121.300 flat angles C4'-P-C4' energy: -110.085 flat angles P-C4'-P energy: -59.798 tors. eta vs tors. theta energy: -16.691 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: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -639.595884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.595884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.595884 (E_RNA) where: Base-Base interactions energy: -307.672 where: short stacking energy: -194.419 Base-Backbone interact. energy: 3.463 local terms energy: -335.387148 where: bonds (distance) C4'-P energy: -94.925 bonds (distance) P-C4' energy: -95.900 flat angles C4'-P-C4' energy: -93.967 flat angles P-C4'-P energy: -55.144 tors. eta vs tors. theta energy: 4.549 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: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -555.440457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.440457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.440457 (E_RNA) where: Base-Base interactions energy: -252.819 where: short stacking energy: -170.121 Base-Backbone interact. energy: 1.991 local terms energy: -304.612517 where: bonds (distance) C4'-P energy: -94.296 bonds (distance) P-C4' energy: -108.370 flat angles C4'-P-C4' energy: -85.894 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: 23.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2197.584210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.584210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.584210 (E_RNA) where: Base-Base interactions energy: -1513.964 where: short stacking energy: -640.260 Base-Backbone interact. energy: -4.067 local terms energy: -679.554083 where: bonds (distance) C4'-P energy: -126.234 bonds (distance) P-C4' energy: -130.494 flat angles C4'-P-C4' energy: -135.502 flat angles P-C4'-P energy: -101.771 tors. eta vs tors. theta energy: -185.554 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: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2105.110654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.110654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.110654 (E_RNA) where: Base-Base interactions energy: -1447.399 where: short stacking energy: -620.262 Base-Backbone interact. energy: -3.716 local terms energy: -653.995953 where: bonds (distance) C4'-P energy: -110.420 bonds (distance) P-C4' energy: -130.759 flat angles C4'-P-C4' energy: -141.168 flat angles P-C4'-P energy: -87.239 tors. eta vs tors. theta energy: -184.410 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: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2034.187982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.187982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.187982 (E_RNA) where: Base-Base interactions energy: -1404.623 where: short stacking energy: -615.401 Base-Backbone interact. energy: -0.222 local terms energy: -629.342585 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -129.531 flat angles C4'-P-C4' energy: -140.883 flat angles P-C4'-P energy: -75.810 tors. eta vs tors. theta energy: -167.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1929.633330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.633330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.633330 (E_RNA) where: Base-Base interactions energy: -1331.993 where: short stacking energy: -556.358 Base-Backbone interact. energy: -0.961 local terms energy: -596.678827 where: bonds (distance) C4'-P energy: -106.840 bonds (distance) P-C4' energy: -125.579 flat angles C4'-P-C4' energy: -114.508 flat angles P-C4'-P energy: -97.016 tors. eta vs tors. theta energy: -152.736 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: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1770.740241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.740241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.740241 (E_RNA) where: Base-Base interactions energy: -1203.637 where: short stacking energy: -520.305 Base-Backbone interact. energy: -2.225 local terms energy: -564.878750 where: bonds (distance) C4'-P energy: -113.666 bonds (distance) P-C4' energy: -119.812 flat angles C4'-P-C4' energy: -120.762 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: -149.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1442.936027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.936027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.936027 (E_RNA) where: Base-Base interactions energy: -924.292 where: short stacking energy: -422.924 Base-Backbone interact. energy: -0.440 local terms energy: -518.203343 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -113.609 flat angles C4'-P-C4' energy: -103.989 flat angles P-C4'-P energy: -79.524 tors. eta vs tors. theta energy: -111.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1231.275378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.275378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.275378 (E_RNA) where: Base-Base interactions energy: -776.399 where: short stacking energy: -386.353 Base-Backbone interact. energy: 1.968 local terms energy: -456.844404 where: bonds (distance) C4'-P energy: -109.810 bonds (distance) P-C4' energy: -110.273 flat angles C4'-P-C4' energy: -108.207 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -69.612 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: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -960.223767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.223767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.223767 (E_RNA) where: Base-Base interactions energy: -519.157 where: short stacking energy: -253.857 Base-Backbone interact. energy: -2.729 local terms energy: -438.337575 where: bonds (distance) C4'-P energy: -107.042 bonds (distance) P-C4' energy: -110.375 flat angles C4'-P-C4' energy: -115.678 flat angles P-C4'-P energy: -66.992 tors. eta vs tors. theta energy: -38.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -679.064089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.064089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.064089 (E_RNA) where: Base-Base interactions energy: -319.733 where: short stacking energy: -209.456 Base-Backbone interact. energy: -0.562 local terms energy: -358.769427 where: bonds (distance) C4'-P energy: -104.919 bonds (distance) P-C4' energy: -102.524 flat angles C4'-P-C4' energy: -98.277 flat angles P-C4'-P energy: -48.009 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -549.877854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.877854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.877854 (E_RNA) where: Base-Base interactions energy: -236.880 where: short stacking energy: -158.681 Base-Backbone interact. energy: 4.332 local terms energy: -317.330211 where: bonds (distance) C4'-P energy: -87.357 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -69.122 tors. eta vs tors. theta energy: 20.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2173.574070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.574070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.574070 (E_RNA) where: Base-Base interactions energy: -1511.071 where: short stacking energy: -634.484 Base-Backbone interact. energy: -2.661 local terms energy: -659.842350 where: bonds (distance) C4'-P energy: -128.967 bonds (distance) P-C4' energy: -120.749 flat angles C4'-P-C4' energy: -136.878 flat angles P-C4'-P energy: -105.549 tors. eta vs tors. theta energy: -167.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2096.956959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.956959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.956959 (E_RNA) where: Base-Base interactions energy: -1444.789 where: short stacking energy: -630.813 Base-Backbone interact. energy: 1.421 local terms energy: -653.588774 where: bonds (distance) C4'-P energy: -118.436 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -134.880 flat angles P-C4'-P energy: -93.364 tors. eta vs tors. theta energy: -180.818 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: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2039.864773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.864773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.864773 (E_RNA) where: Base-Base interactions energy: -1384.929 where: short stacking energy: -622.376 Base-Backbone interact. energy: -3.985 local terms energy: -650.949960 where: bonds (distance) C4'-P energy: -120.116 bonds (distance) P-C4' energy: -117.621 flat angles C4'-P-C4' energy: -143.070 flat angles P-C4'-P energy: -79.169 tors. eta vs tors. theta energy: -190.974 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: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1890.385903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.385903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.385903 (E_RNA) where: Base-Base interactions energy: -1321.710 where: short stacking energy: -519.821 Base-Backbone interact. energy: -3.244 local terms energy: -565.432027 where: bonds (distance) C4'-P energy: -110.085 bonds (distance) P-C4' energy: -113.206 flat angles C4'-P-C4' energy: -123.151 flat angles P-C4'-P energy: -86.974 tors. eta vs tors. theta energy: -132.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1756.774254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.774254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.774254 (E_RNA) where: Base-Base interactions energy: -1222.105 where: short stacking energy: -504.519 Base-Backbone interact. energy: -1.379 local terms energy: -533.290210 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -98.472 flat angles C4'-P-C4' energy: -133.506 flat angles P-C4'-P energy: -78.851 tors. eta vs tors. theta energy: -123.374 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: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1453.384593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.384593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.384593 (E_RNA) where: Base-Base interactions energy: -923.984 where: short stacking energy: -431.743 Base-Backbone interact. energy: 2.047 local terms energy: -531.447963 where: bonds (distance) C4'-P energy: -128.142 bonds (distance) P-C4' energy: -119.677 flat angles C4'-P-C4' energy: -115.584 flat angles P-C4'-P energy: -70.670 tors. eta vs tors. theta energy: -97.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1237.136057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.136057 (E_RNA) where: Base-Base interactions energy: -770.413 where: short stacking energy: -361.606 Base-Backbone interact. energy: -2.108 local terms energy: -464.614900 where: bonds (distance) C4'-P energy: -87.922 bonds (distance) P-C4' energy: -123.377 flat angles C4'-P-C4' energy: -120.645 flat angles P-C4'-P energy: -74.993 tors. eta vs tors. theta energy: -57.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -942.094329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.094329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.094329 (E_RNA) where: Base-Base interactions energy: -522.494 where: short stacking energy: -281.893 Base-Backbone interact. energy: -2.094 local terms energy: -417.505584 where: bonds (distance) C4'-P energy: -97.501 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -103.543 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -43.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -662.404266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.404266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.404266 (E_RNA) where: Base-Base interactions energy: -300.770 where: short stacking energy: -224.232 Base-Backbone interact. energy: -2.233 local terms energy: -359.400969 where: bonds (distance) C4'-P energy: -98.873 bonds (distance) P-C4' energy: -92.224 flat angles C4'-P-C4' energy: -108.958 flat angles P-C4'-P energy: -50.106 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: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -560.403746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.403746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.403746 (E_RNA) where: Base-Base interactions energy: -231.323 where: short stacking energy: -164.428 Base-Backbone interact. energy: -1.793 local terms energy: -327.287090 where: bonds (distance) C4'-P energy: -77.834 bonds (distance) P-C4' energy: -101.920 flat angles C4'-P-C4' energy: -98.638 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: 7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2199.517871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.517871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.517871 (E_RNA) where: Base-Base interactions energy: -1538.215 where: short stacking energy: -657.476 Base-Backbone interact. energy: -0.292 local terms energy: -661.011042 where: bonds (distance) C4'-P energy: -118.196 bonds (distance) P-C4' energy: -117.952 flat angles C4'-P-C4' energy: -143.031 flat angles P-C4'-P energy: -101.532 tors. eta vs tors. theta energy: -180.301 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: 321 Temperature: 0.950000 Total energy: -2097.491452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.491452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.491452 (E_RNA) where: Base-Base interactions energy: -1442.053 where: short stacking energy: -588.255 Base-Backbone interact. energy: -4.141 local terms energy: -651.297144 where: bonds (distance) C4'-P energy: -132.815 bonds (distance) P-C4' energy: -118.729 flat angles C4'-P-C4' energy: -136.483 flat angles P-C4'-P energy: -87.767 tors. eta vs tors. theta energy: -175.502 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: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1999.787757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.787757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.787757 (E_RNA) where: Base-Base interactions energy: -1328.388 where: short stacking energy: -595.122 Base-Backbone interact. energy: -3.524 local terms energy: -667.875897 where: bonds (distance) C4'-P energy: -124.230 bonds (distance) P-C4' energy: -129.642 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -100.585 tors. eta vs tors. theta energy: -183.113 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: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1875.268246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.268246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.268246 (E_RNA) where: Base-Base interactions energy: -1290.975 where: short stacking energy: -525.852 Base-Backbone interact. energy: -4.047 local terms energy: -580.246698 where: bonds (distance) C4'-P energy: -111.134 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -127.736 flat angles P-C4'-P energy: -84.141 tors. eta vs tors. theta energy: -137.525 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: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1772.430373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.430373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.430373 (E_RNA) where: Base-Base interactions energy: -1208.077 where: short stacking energy: -541.059 Base-Backbone interact. energy: 0.971 local terms energy: -565.324788 where: bonds (distance) C4'-P energy: -112.282 bonds (distance) P-C4' energy: -116.703 flat angles C4'-P-C4' energy: -118.674 flat angles P-C4'-P energy: -72.880 tors. eta vs tors. theta energy: -144.786 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: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1431.290193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.290193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.290193 (E_RNA) where: Base-Base interactions energy: -938.608 where: short stacking energy: -415.894 Base-Backbone interact. energy: 3.099 local terms energy: -495.780733 where: bonds (distance) C4'-P energy: -102.067 bonds (distance) P-C4' energy: -110.492 flat angles C4'-P-C4' energy: -114.311 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -114.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1233.715770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.715770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.715770 (E_RNA) where: Base-Base interactions energy: -790.221 where: short stacking energy: -356.819 Base-Backbone interact. energy: 4.052 local terms energy: -447.546841 where: bonds (distance) C4'-P energy: -90.598 bonds (distance) P-C4' energy: -120.041 flat angles C4'-P-C4' energy: -103.722 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: -70.577 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: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -926.210859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.210859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.210859 (E_RNA) where: Base-Base interactions energy: -519.507 where: short stacking energy: -262.849 Base-Backbone interact. energy: -0.666 local terms energy: -406.037889 where: bonds (distance) C4'-P energy: -99.778 bonds (distance) P-C4' energy: -116.434 flat angles C4'-P-C4' energy: -100.571 flat angles P-C4'-P energy: -69.014 tors. eta vs tors. theta energy: -20.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -694.913071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.913071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.913071 (E_RNA) where: Base-Base interactions energy: -365.277 where: short stacking energy: -195.190 Base-Backbone interact. energy: 1.156 local terms energy: -330.792224 where: bonds (distance) C4'-P energy: -106.395 bonds (distance) P-C4' energy: -109.835 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -31.037 tors. eta vs tors. theta energy: 9.242 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: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -537.755725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.755725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.755725 (E_RNA) where: Base-Base interactions energy: -216.568 where: short stacking energy: -159.049 Base-Backbone interact. energy: 0.450 local terms energy: -321.637609 where: bonds (distance) C4'-P energy: -89.220 bonds (distance) P-C4' energy: -117.598 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: 11.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2167.360092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.360092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.360092 (E_RNA) where: Base-Base interactions energy: -1503.890 where: short stacking energy: -631.765 Base-Backbone interact. energy: -2.154 local terms energy: -661.315919 where: bonds (distance) C4'-P energy: -132.626 bonds (distance) P-C4' energy: -129.927 flat angles C4'-P-C4' energy: -142.767 flat angles P-C4'-P energy: -88.907 tors. eta vs tors. theta energy: -167.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2107.676656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.676656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.676656 (E_RNA) where: Base-Base interactions energy: -1458.654 where: short stacking energy: -624.117 Base-Backbone interact. energy: -4.811 local terms energy: -644.211706 where: bonds (distance) C4'-P energy: -110.181 bonds (distance) P-C4' energy: -119.109 flat angles C4'-P-C4' energy: -148.816 flat angles P-C4'-P energy: -93.232 tors. eta vs tors. theta energy: -172.874 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: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2008.758364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.758364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.758364 (E_RNA) where: Base-Base interactions energy: -1358.238 where: short stacking energy: -629.455 Base-Backbone interact. energy: -2.168 local terms energy: -648.352691 where: bonds (distance) C4'-P energy: -118.207 bonds (distance) P-C4' energy: -132.300 flat angles C4'-P-C4' energy: -143.445 flat angles P-C4'-P energy: -74.285 tors. eta vs tors. theta energy: -180.115 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: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1872.914591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.914591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.914591 (E_RNA) where: Base-Base interactions energy: -1292.473 where: short stacking energy: -542.964 Base-Backbone interact. energy: -2.392 local terms energy: -578.048826 where: bonds (distance) C4'-P energy: -108.194 bonds (distance) P-C4' energy: -107.688 flat angles C4'-P-C4' energy: -137.622 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -136.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1783.478969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.478969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.478969 (E_RNA) where: Base-Base interactions energy: -1171.536 where: short stacking energy: -527.756 Base-Backbone interact. energy: -3.267 local terms energy: -608.675223 where: bonds (distance) C4'-P energy: -113.579 bonds (distance) P-C4' energy: -102.340 flat angles C4'-P-C4' energy: -143.460 flat angles P-C4'-P energy: -89.169 tors. eta vs tors. theta energy: -160.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1455.236460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.236460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.236460 (E_RNA) where: Base-Base interactions energy: -936.912 where: short stacking energy: -425.645 Base-Backbone interact. energy: -0.900 local terms energy: -517.425320 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -118.842 flat angles C4'-P-C4' energy: -110.975 flat angles P-C4'-P energy: -65.334 tors. eta vs tors. theta energy: -105.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1306.922220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.922220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.922220 (E_RNA) where: Base-Base interactions energy: -818.961 where: short stacking energy: -385.310 Base-Backbone interact. energy: 0.516 local terms energy: -488.476716 where: bonds (distance) C4'-P energy: -107.108 bonds (distance) P-C4' energy: -125.663 flat angles C4'-P-C4' energy: -90.808 flat angles P-C4'-P energy: -84.177 tors. eta vs tors. theta energy: -80.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -859.730856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.730856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.730856 (E_RNA) where: Base-Base interactions energy: -478.571 where: short stacking energy: -244.287 Base-Backbone interact. energy: -1.057 local terms energy: -380.102794 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -101.401 flat angles C4'-P-C4' energy: -89.985 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -21.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -690.040813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.040813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.040813 (E_RNA) where: Base-Base interactions energy: -308.093 where: short stacking energy: -183.113 Base-Backbone interact. energy: -0.038 local terms energy: -381.909423 where: bonds (distance) C4'-P energy: -114.576 bonds (distance) P-C4' energy: -107.972 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -595.814599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.814599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.814599 (E_RNA) where: Base-Base interactions energy: -259.795 where: short stacking energy: -167.520 Base-Backbone interact. energy: -4.534 local terms energy: -331.485311 where: bonds (distance) C4'-P energy: -104.097 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -83.843 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: 4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2203.128309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.128309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.128309 (E_RNA) where: Base-Base interactions energy: -1527.249 where: short stacking energy: -648.719 Base-Backbone interact. energy: -4.159 local terms energy: -671.720443 where: bonds (distance) C4'-P energy: -122.935 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -149.003 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -183.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2098.484732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.484732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.484732 (E_RNA) where: Base-Base interactions energy: -1431.918 where: short stacking energy: -614.827 Base-Backbone interact. energy: -1.761 local terms energy: -664.805949 where: bonds (distance) C4'-P energy: -124.109 bonds (distance) P-C4' energy: -123.581 flat angles C4'-P-C4' energy: -141.658 flat angles P-C4'-P energy: -93.883 tors. eta vs tors. theta energy: -181.576 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: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2041.699301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.699301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.699301 (E_RNA) where: Base-Base interactions energy: -1376.244 where: short stacking energy: -633.745 Base-Backbone interact. energy: -1.301 local terms energy: -664.154329 where: bonds (distance) C4'-P energy: -113.692 bonds (distance) P-C4' energy: -131.043 flat angles C4'-P-C4' energy: -136.518 flat angles P-C4'-P energy: -88.992 tors. eta vs tors. theta energy: -193.909 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: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1928.896024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.896024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.896024 (E_RNA) where: Base-Base interactions energy: -1334.781 where: short stacking energy: -536.948 Base-Backbone interact. energy: -3.765 local terms energy: -590.350472 where: bonds (distance) C4'-P energy: -100.303 bonds (distance) P-C4' energy: -126.384 flat angles C4'-P-C4' energy: -137.677 flat angles P-C4'-P energy: -82.888 tors. eta vs tors. theta energy: -143.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1771.396141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.396141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.396141 (E_RNA) where: Base-Base interactions energy: -1195.909 where: short stacking energy: -515.343 Base-Backbone interact. energy: 0.653 local terms energy: -576.140009 where: bonds (distance) C4'-P energy: -111.734 bonds (distance) P-C4' energy: -113.567 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -76.261 tors. eta vs tors. theta energy: -137.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1474.219764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.219764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.219764 (E_RNA) where: Base-Base interactions energy: -959.785 where: short stacking energy: -435.427 Base-Backbone interact. energy: 0.459 local terms energy: -514.893086 where: bonds (distance) C4'-P energy: -108.416 bonds (distance) P-C4' energy: -115.280 flat angles C4'-P-C4' energy: -127.102 flat angles P-C4'-P energy: -71.070 tors. eta vs tors. theta energy: -93.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1244.942687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.942687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.942687 (E_RNA) where: Base-Base interactions energy: -781.458 where: short stacking energy: -339.152 Base-Backbone interact. energy: 0.811 local terms energy: -464.295514 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -117.862 flat angles C4'-P-C4' energy: -114.480 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: -57.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -883.720648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.720648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.720648 (E_RNA) where: Base-Base interactions energy: -474.306 where: short stacking energy: -255.504 Base-Backbone interact. energy: 2.432 local terms energy: -411.847495 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -116.155 flat angles C4'-P-C4' energy: -110.088 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -23.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -679.482525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.482525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.482525 (E_RNA) where: Base-Base interactions energy: -324.044 where: short stacking energy: -183.657 Base-Backbone interact. energy: 1.845 local terms energy: -357.283701 where: bonds (distance) C4'-P energy: -98.641 bonds (distance) P-C4' energy: -120.765 flat angles C4'-P-C4' energy: -103.703 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: 4.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -551.252056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.252056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.252056 (E_RNA) where: Base-Base interactions energy: -232.319 where: short stacking energy: -142.604 Base-Backbone interact. energy: -1.511 local terms energy: -317.421107 where: bonds (distance) C4'-P energy: -99.707 bonds (distance) P-C4' energy: -102.590 flat angles C4'-P-C4' energy: -82.898 flat angles P-C4'-P energy: -48.621 tors. eta vs tors. theta energy: 16.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2204.131171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.131171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.131171 (E_RNA) where: Base-Base interactions energy: -1526.544 where: short stacking energy: -609.243 Base-Backbone interact. energy: -3.932 local terms energy: -673.654681 where: bonds (distance) C4'-P energy: -120.699 bonds (distance) P-C4' energy: -124.583 flat angles C4'-P-C4' energy: -151.364 flat angles P-C4'-P energy: -100.672 tors. eta vs tors. theta energy: -176.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2114.767094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.767094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.767094 (E_RNA) where: Base-Base interactions energy: -1463.322 where: short stacking energy: -603.877 Base-Backbone interact. energy: 1.812 local terms energy: -653.257241 where: bonds (distance) C4'-P energy: -119.034 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -139.580 flat angles P-C4'-P energy: -98.976 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: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1995.372625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.372625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.372625 (E_RNA) where: Base-Base interactions energy: -1383.532 where: short stacking energy: -557.836 Base-Backbone interact. energy: -1.380 local terms energy: -610.460960 where: bonds (distance) C4'-P energy: -115.647 bonds (distance) P-C4' energy: -112.522 flat angles C4'-P-C4' energy: -142.159 flat angles P-C4'-P energy: -95.669 tors. eta vs tors. theta energy: -144.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1955.481211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.481211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.481211 (E_RNA) where: Base-Base interactions energy: -1303.120 where: short stacking energy: -608.053 Base-Backbone interact. energy: 0.989 local terms energy: -653.350495 where: bonds (distance) C4'-P energy: -119.232 bonds (distance) P-C4' energy: -124.526 flat angles C4'-P-C4' energy: -142.776 flat angles P-C4'-P energy: -83.501 tors. eta vs tors. theta energy: -183.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1790.399450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.399450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.399450 (E_RNA) where: Base-Base interactions energy: -1204.907 where: short stacking energy: -542.761 Base-Backbone interact. energy: -0.083 local terms energy: -585.410005 where: bonds (distance) C4'-P energy: -116.201 bonds (distance) P-C4' energy: -119.101 flat angles C4'-P-C4' energy: -129.892 flat angles P-C4'-P energy: -75.177 tors. eta vs tors. theta energy: -145.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1483.812425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.812425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.812425 (E_RNA) where: Base-Base interactions energy: -940.949 where: short stacking energy: -456.261 Base-Backbone interact. energy: -1.171 local terms energy: -541.693098 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -105.266 flat angles C4'-P-C4' energy: -127.151 flat angles P-C4'-P energy: -80.147 tors. eta vs tors. theta energy: -126.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1225.475727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.475727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.475727 (E_RNA) where: Base-Base interactions energy: -743.655 where: short stacking energy: -357.536 Base-Backbone interact. energy: -0.323 local terms energy: -481.497601 where: bonds (distance) C4'-P energy: -101.950 bonds (distance) P-C4' energy: -117.904 flat angles C4'-P-C4' energy: -108.164 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -86.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -863.991500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.991500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.991500 (E_RNA) where: Base-Base interactions energy: -476.834 where: short stacking energy: -245.064 Base-Backbone interact. energy: 2.958 local terms energy: -390.115774 where: bonds (distance) C4'-P energy: -97.856 bonds (distance) P-C4' energy: -119.058 flat angles C4'-P-C4' energy: -97.506 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -18.763 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: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -592.397824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.397824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.397824 (E_RNA) where: Base-Base interactions energy: -245.262 where: short stacking energy: -172.656 Base-Backbone interact. energy: 0.212 local terms energy: -347.347198 where: bonds (distance) C4'-P energy: -96.807 bonds (distance) P-C4' energy: -108.732 flat angles C4'-P-C4' energy: -111.671 flat angles P-C4'-P energy: -46.058 tors. eta vs tors. theta energy: 15.920 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -602.041562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.041562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.041562 (E_RNA) where: Base-Base interactions energy: -285.202 where: short stacking energy: -192.123 Base-Backbone interact. energy: -1.411 local terms energy: -315.428339 where: bonds (distance) C4'-P energy: -82.847 bonds (distance) P-C4' energy: -109.862 flat angles C4'-P-C4' energy: -80.607 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: 14.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2210.098555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.098555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.098555 (E_RNA) where: Base-Base interactions energy: -1522.169 where: short stacking energy: -636.926 Base-Backbone interact. energy: 0.352 local terms energy: -688.281824 where: bonds (distance) C4'-P energy: -132.102 bonds (distance) P-C4' energy: -121.271 flat angles C4'-P-C4' energy: -147.809 flat angles P-C4'-P energy: -107.457 tors. eta vs tors. theta energy: -179.643 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: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2133.832915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.832915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.832915 (E_RNA) where: Base-Base interactions energy: -1487.958 where: short stacking energy: -618.190 Base-Backbone interact. energy: -1.302 local terms energy: -644.572863 where: bonds (distance) C4'-P energy: -129.150 bonds (distance) P-C4' energy: -104.188 flat angles C4'-P-C4' energy: -141.463 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -174.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1992.107587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.107587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.107587 (E_RNA) where: Base-Base interactions energy: -1395.873 where: short stacking energy: -549.530 Base-Backbone interact. energy: -0.892 local terms energy: -595.343440 where: bonds (distance) C4'-P energy: -120.601 bonds (distance) P-C4' energy: -107.081 flat angles C4'-P-C4' energy: -124.056 flat angles P-C4'-P energy: -89.807 tors. eta vs tors. theta energy: -153.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1938.871231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.871231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.871231 (E_RNA) where: Base-Base interactions energy: -1300.561 where: short stacking energy: -585.694 Base-Backbone interact. energy: -2.367 local terms energy: -635.943504 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -106.775 flat angles C4'-P-C4' energy: -137.128 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -187.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1760.156185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.156185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.156185 (E_RNA) where: Base-Base interactions energy: -1190.582 where: short stacking energy: -511.446 Base-Backbone interact. energy: -1.364 local terms energy: -568.210987 where: bonds (distance) C4'-P energy: -107.320 bonds (distance) P-C4' energy: -113.103 flat angles C4'-P-C4' energy: -124.801 flat angles P-C4'-P energy: -91.098 tors. eta vs tors. theta energy: -131.889 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: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1456.731340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.731340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.731340 (E_RNA) where: Base-Base interactions energy: -934.737 where: short stacking energy: -452.249 Base-Backbone interact. energy: 0.544 local terms energy: -522.538243 where: bonds (distance) C4'-P energy: -101.776 bonds (distance) P-C4' energy: -126.674 flat angles C4'-P-C4' energy: -122.914 flat angles P-C4'-P energy: -63.143 tors. eta vs tors. theta energy: -108.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1199.904804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.904804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.904804 (E_RNA) where: Base-Base interactions energy: -729.072 where: short stacking energy: -373.399 Base-Backbone interact. energy: 0.994 local terms energy: -471.827602 where: bonds (distance) C4'-P energy: -92.554 bonds (distance) P-C4' energy: -120.515 flat angles C4'-P-C4' energy: -106.080 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -77.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -880.457863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.457863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.457863 (E_RNA) where: Base-Base interactions energy: -496.143 where: short stacking energy: -292.911 Base-Backbone interact. energy: 0.533 local terms energy: -384.847579 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -105.451 flat angles C4'-P-C4' energy: -100.949 flat angles P-C4'-P energy: -72.295 tors. eta vs tors. theta energy: -32.278 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: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -564.246683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.246683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.246683 (E_RNA) where: Base-Base interactions energy: -239.994 where: short stacking energy: -158.584 Base-Backbone interact. energy: 2.038 local terms energy: -326.290592 where: bonds (distance) C4'-P energy: -101.495 bonds (distance) P-C4' energy: -96.824 flat angles C4'-P-C4' energy: -96.798 flat angles P-C4'-P energy: -48.852 tors. eta vs tors. theta energy: 17.679 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: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -604.098371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.098371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.098371 (E_RNA) where: Base-Base interactions energy: -270.770 where: short stacking energy: -153.116 Base-Backbone interact. energy: 5.604 local terms energy: -338.932666 where: bonds (distance) C4'-P energy: -115.595 bonds (distance) P-C4' energy: -108.430 flat angles C4'-P-C4' energy: -77.697 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: 6.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2191.405920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.405920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.405920 (E_RNA) where: Base-Base interactions energy: -1507.493 where: short stacking energy: -619.695 Base-Backbone interact. energy: -1.081 local terms energy: -682.832724 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -145.964 flat angles P-C4'-P energy: -96.689 tors. eta vs tors. theta energy: -178.200 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: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2120.296592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.296592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.296592 (E_RNA) where: Base-Base interactions energy: -1466.660 where: short stacking energy: -629.637 Base-Backbone interact. energy: -5.087 local terms energy: -648.549667 where: bonds (distance) C4'-P energy: -134.686 bonds (distance) P-C4' energy: -116.096 flat angles C4'-P-C4' energy: -133.162 flat angles P-C4'-P energy: -82.268 tors. eta vs tors. theta energy: -182.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1977.652997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.652997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.652997 (E_RNA) where: Base-Base interactions energy: -1308.655 where: short stacking energy: -587.970 Base-Backbone interact. energy: -1.289 local terms energy: -667.709645 where: bonds (distance) C4'-P energy: -114.758 bonds (distance) P-C4' energy: -123.540 flat angles C4'-P-C4' energy: -135.437 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -185.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1927.427268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.427268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.427268 (E_RNA) where: Base-Base interactions energy: -1331.020 where: short stacking energy: -552.787 Base-Backbone interact. energy: 2.897 local terms energy: -599.304652 where: bonds (distance) C4'-P energy: -107.186 bonds (distance) P-C4' energy: -116.822 flat angles C4'-P-C4' energy: -136.576 flat angles P-C4'-P energy: -87.591 tors. eta vs tors. theta energy: -151.129 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: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1742.652874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.652874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.652874 (E_RNA) where: Base-Base interactions energy: -1157.286 where: short stacking energy: -495.456 Base-Backbone interact. energy: -3.230 local terms energy: -582.137328 where: bonds (distance) C4'-P energy: -122.566 bonds (distance) P-C4' energy: -100.697 flat angles C4'-P-C4' energy: -122.431 flat angles P-C4'-P energy: -87.843 tors. eta vs tors. theta energy: -148.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1519.328900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.328900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.328900 (E_RNA) where: Base-Base interactions energy: -989.007 where: short stacking energy: -436.630 Base-Backbone interact. energy: -2.837 local terms energy: -527.484776 where: bonds (distance) C4'-P energy: -102.605 bonds (distance) P-C4' energy: -111.478 flat angles C4'-P-C4' energy: -113.802 flat angles P-C4'-P energy: -87.650 tors. eta vs tors. theta energy: -111.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1294.860063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.860063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.860063 (E_RNA) where: Base-Base interactions energy: -833.143 where: short stacking energy: -399.777 Base-Backbone interact. energy: 2.272 local terms energy: -463.989550 where: bonds (distance) C4'-P energy: -102.282 bonds (distance) P-C4' energy: -102.323 flat angles C4'-P-C4' energy: -104.815 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -88.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -912.301564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.301564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.301564 (E_RNA) where: Base-Base interactions energy: -498.124 where: short stacking energy: -272.697 Base-Backbone interact. energy: -0.981 local terms energy: -413.195809 where: bonds (distance) C4'-P energy: -85.924 bonds (distance) P-C4' energy: -110.784 flat angles C4'-P-C4' energy: -103.937 flat angles P-C4'-P energy: -70.234 tors. eta vs tors. theta energy: -42.316 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: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -652.511269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.511269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.511269 (E_RNA) where: Base-Base interactions energy: -286.918 where: short stacking energy: -165.607 Base-Backbone interact. energy: -2.138 local terms energy: -363.455547 where: bonds (distance) C4'-P energy: -100.580 bonds (distance) P-C4' energy: -114.618 flat angles C4'-P-C4' energy: -92.754 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: 5.447 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: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -536.784633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.784633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.784633 (E_RNA) where: Base-Base interactions energy: -218.192 where: short stacking energy: -140.557 Base-Backbone interact. energy: 7.328 local terms energy: -325.921480 where: bonds (distance) C4'-P energy: -91.590 bonds (distance) P-C4' energy: -122.017 flat angles C4'-P-C4' energy: -80.995 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: 22.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2201.506058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.506058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.506058 (E_RNA) where: Base-Base interactions energy: -1551.672 where: short stacking energy: -638.018 Base-Backbone interact. energy: -4.981 local terms energy: -644.852901 where: bonds (distance) C4'-P energy: -121.122 bonds (distance) P-C4' energy: -126.464 flat angles C4'-P-C4' energy: -134.798 flat angles P-C4'-P energy: -89.706 tors. eta vs tors. theta energy: -172.763 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: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2101.233930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.233930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.233930 (E_RNA) where: Base-Base interactions energy: -1459.183 where: short stacking energy: -598.722 Base-Backbone interact. energy: -3.274 local terms energy: -638.777147 where: bonds (distance) C4'-P energy: -127.357 bonds (distance) P-C4' energy: -110.223 flat angles C4'-P-C4' energy: -143.582 flat angles P-C4'-P energy: -83.045 tors. eta vs tors. theta energy: -174.570 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: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1999.511586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.511586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.511586 (E_RNA) where: Base-Base interactions energy: -1388.624 where: short stacking energy: -608.437 Base-Backbone interact. energy: -0.176 local terms energy: -610.712309 where: bonds (distance) C4'-P energy: -112.266 bonds (distance) P-C4' energy: -99.562 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -90.580 tors. eta vs tors. theta energy: -175.525 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: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1925.667134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.667134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.667134 (E_RNA) where: Base-Base interactions energy: -1347.588 where: short stacking energy: -548.479 Base-Backbone interact. energy: -0.687 local terms energy: -577.392187 where: bonds (distance) C4'-P energy: -119.634 bonds (distance) P-C4' energy: -103.390 flat angles C4'-P-C4' energy: -118.857 flat angles P-C4'-P energy: -93.032 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: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1765.348053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.348053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.348053 (E_RNA) where: Base-Base interactions energy: -1193.192 where: short stacking energy: -524.970 Base-Backbone interact. energy: -5.554 local terms energy: -566.602049 where: bonds (distance) C4'-P energy: -106.305 bonds (distance) P-C4' energy: -121.727 flat angles C4'-P-C4' energy: -121.858 flat angles P-C4'-P energy: -80.287 tors. eta vs tors. theta energy: -136.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1554.934028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.934028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.934028 (E_RNA) where: Base-Base interactions energy: -1029.788 where: short stacking energy: -463.924 Base-Backbone interact. energy: -2.125 local terms energy: -523.020858 where: bonds (distance) C4'-P energy: -93.754 bonds (distance) P-C4' energy: -109.264 flat angles C4'-P-C4' energy: -131.569 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -121.482 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: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1286.006212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.006212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.006212 (E_RNA) where: Base-Base interactions energy: -822.898 where: short stacking energy: -350.642 Base-Backbone interact. energy: -0.826 local terms energy: -462.282326 where: bonds (distance) C4'-P energy: -109.412 bonds (distance) P-C4' energy: -117.616 flat angles C4'-P-C4' energy: -112.487 flat angles P-C4'-P energy: -58.092 tors. eta vs tors. theta energy: -64.675 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: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -872.651152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.651152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.651152 (E_RNA) where: Base-Base interactions energy: -467.299 where: short stacking energy: -244.388 Base-Backbone interact. energy: -1.511 local terms energy: -403.840718 where: bonds (distance) C4'-P energy: -105.048 bonds (distance) P-C4' energy: -97.060 flat angles C4'-P-C4' energy: -109.158 flat angles P-C4'-P energy: -60.954 tors. eta vs tors. theta energy: -31.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -637.657142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.657142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.657142 (E_RNA) where: Base-Base interactions energy: -288.307 where: short stacking energy: -202.339 Base-Backbone interact. energy: 0.643 local terms energy: -349.992600 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -107.198 flat angles C4'-P-C4' energy: -88.664 flat angles P-C4'-P energy: -65.377 tors. eta vs tors. theta energy: 5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -543.790007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.790007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.790007 (E_RNA) where: Base-Base interactions energy: -252.099 where: short stacking energy: -172.260 Base-Backbone interact. energy: 0.754 local terms energy: -292.444868 where: bonds (distance) C4'-P energy: -79.414 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -71.258 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: 7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2208.109388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.109388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.109388 (E_RNA) where: Base-Base interactions energy: -1534.095 where: short stacking energy: -625.743 Base-Backbone interact. energy: -5.809 local terms energy: -668.205656 where: bonds (distance) C4'-P energy: -125.516 bonds (distance) P-C4' energy: -125.252 flat angles C4'-P-C4' energy: -142.605 flat angles P-C4'-P energy: -95.432 tors. eta vs tors. theta energy: -179.401 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: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2093.025389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.025389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.025389 (E_RNA) where: Base-Base interactions energy: -1458.211 where: short stacking energy: -599.210 Base-Backbone interact. energy: -4.509 local terms energy: -630.305579 where: bonds (distance) C4'-P energy: -116.670 bonds (distance) P-C4' energy: -110.816 flat angles C4'-P-C4' energy: -136.692 flat angles P-C4'-P energy: -91.194 tors. eta vs tors. theta energy: -174.934 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: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2038.176472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.176472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.176472 (E_RNA) where: Base-Base interactions energy: -1374.595 where: short stacking energy: -636.818 Base-Backbone interact. energy: -2.613 local terms energy: -660.968408 where: bonds (distance) C4'-P energy: -123.931 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -136.336 flat angles P-C4'-P energy: -95.589 tors. eta vs tors. theta energy: -189.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1913.414625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.414625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.414625 (E_RNA) where: Base-Base interactions energy: -1324.521 where: short stacking energy: -552.115 Base-Backbone interact. energy: -5.045 local terms energy: -583.847673 where: bonds (distance) C4'-P energy: -115.741 bonds (distance) P-C4' energy: -113.338 flat angles C4'-P-C4' energy: -128.695 flat angles P-C4'-P energy: -87.957 tors. eta vs tors. theta energy: -138.117 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: 328 Temperature: 1.100000 Total energy: -1781.307655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.307655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.307655 (E_RNA) where: Base-Base interactions energy: -1210.552 where: short stacking energy: -501.250 Base-Backbone interact. energy: -3.528 local terms energy: -567.228379 where: bonds (distance) C4'-P energy: -103.427 bonds (distance) P-C4' energy: -102.306 flat angles C4'-P-C4' energy: -129.707 flat angles P-C4'-P energy: -78.813 tors. eta vs tors. theta energy: -152.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1506.984527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.984527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.984527 (E_RNA) where: Base-Base interactions energy: -988.339 where: short stacking energy: -450.237 Base-Backbone interact. energy: -0.548 local terms energy: -518.097315 where: bonds (distance) C4'-P energy: -113.203 bonds (distance) P-C4' energy: -116.215 flat angles C4'-P-C4' energy: -122.070 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -101.749 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: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1256.587438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.587438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.587438 (E_RNA) where: Base-Base interactions energy: -787.876 where: short stacking energy: -373.714 Base-Backbone interact. energy: -4.287 local terms energy: -464.424418 where: bonds (distance) C4'-P energy: -100.333 bonds (distance) P-C4' energy: -107.388 flat angles C4'-P-C4' energy: -120.321 flat angles P-C4'-P energy: -73.192 tors. eta vs tors. theta energy: -63.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -872.077430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.077430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.077430 (E_RNA) where: Base-Base interactions energy: -470.600 where: short stacking energy: -250.058 Base-Backbone interact. energy: 0.582 local terms energy: -402.059217 where: bonds (distance) C4'-P energy: -109.877 bonds (distance) P-C4' energy: -112.633 flat angles C4'-P-C4' energy: -106.993 flat angles P-C4'-P energy: -46.560 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: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -639.794255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.794255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.794255 (E_RNA) where: Base-Base interactions energy: -278.904 where: short stacking energy: -186.574 Base-Backbone interact. energy: -2.738 local terms energy: -358.152096 where: bonds (distance) C4'-P energy: -95.369 bonds (distance) P-C4' energy: -118.983 flat angles C4'-P-C4' energy: -117.792 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: 15.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -530.130258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.130258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.130258 (E_RNA) where: Base-Base interactions energy: -214.541 where: short stacking energy: -137.470 Base-Backbone interact. energy: 0.366 local terms energy: -315.955157 where: bonds (distance) C4'-P energy: -109.202 bonds (distance) P-C4' energy: -102.907 flat angles C4'-P-C4' energy: -83.869 flat angles P-C4'-P energy: -52.288 tors. eta vs tors. theta energy: 32.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2183.848118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.848118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.848118 (E_RNA) where: Base-Base interactions energy: -1524.988 where: short stacking energy: -628.251 Base-Backbone interact. energy: -4.319 local terms energy: -654.541559 where: bonds (distance) C4'-P energy: -120.523 bonds (distance) P-C4' energy: -128.956 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -177.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2084.326261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.326261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.326261 (E_RNA) where: Base-Base interactions energy: -1422.546 where: short stacking energy: -648.087 Base-Backbone interact. energy: -2.150 local terms energy: -659.629413 where: bonds (distance) C4'-P energy: -107.869 bonds (distance) P-C4' energy: -111.835 flat angles C4'-P-C4' energy: -148.412 flat angles P-C4'-P energy: -96.953 tors. eta vs tors. theta energy: -194.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2054.560431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.560431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.560431 (E_RNA) where: Base-Base interactions energy: -1409.888 where: short stacking energy: -585.528 Base-Backbone interact. energy: -3.519 local terms energy: -641.154248 where: bonds (distance) C4'-P energy: -108.995 bonds (distance) P-C4' energy: -116.826 flat angles C4'-P-C4' energy: -138.566 flat angles P-C4'-P energy: -93.751 tors. eta vs tors. theta energy: -183.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1931.920542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.920542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.920542 (E_RNA) where: Base-Base interactions energy: -1355.969 where: short stacking energy: -551.153 Base-Backbone interact. energy: -1.990 local terms energy: -573.961538 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -118.971 flat angles C4'-P-C4' energy: -124.182 flat angles P-C4'-P energy: -78.601 tors. eta vs tors. theta energy: -142.427 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: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1791.085351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.085351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.085351 (E_RNA) where: Base-Base interactions energy: -1211.089 where: short stacking energy: -526.391 Base-Backbone interact. energy: 0.667 local terms energy: -580.663380 where: bonds (distance) C4'-P energy: -110.287 bonds (distance) P-C4' energy: -122.173 flat angles C4'-P-C4' energy: -125.238 flat angles P-C4'-P energy: -79.329 tors. eta vs tors. theta energy: -143.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1483.123201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.123201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.123201 (E_RNA) where: Base-Base interactions energy: -953.710 where: short stacking energy: -428.395 Base-Backbone interact. energy: -1.838 local terms energy: -527.575420 where: bonds (distance) C4'-P energy: -107.622 bonds (distance) P-C4' energy: -120.384 flat angles C4'-P-C4' energy: -124.393 flat angles P-C4'-P energy: -72.466 tors. eta vs tors. theta energy: -102.711 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: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1297.915604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.915604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.915604 (E_RNA) where: Base-Base interactions energy: -807.774 where: short stacking energy: -404.892 Base-Backbone interact. energy: -1.437 local terms energy: -488.704234 where: bonds (distance) C4'-P energy: -110.190 bonds (distance) P-C4' energy: -113.134 flat angles C4'-P-C4' energy: -109.542 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -100.995 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: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -891.271141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.271141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.271141 (E_RNA) where: Base-Base interactions energy: -498.157 where: short stacking energy: -279.939 Base-Backbone interact. energy: -1.506 local terms energy: -391.607891 where: bonds (distance) C4'-P energy: -106.536 bonds (distance) P-C4' energy: -97.532 flat angles C4'-P-C4' energy: -93.461 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -31.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -686.774972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.774972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.774972 (E_RNA) where: Base-Base interactions energy: -306.225 where: short stacking energy: -191.145 Base-Backbone interact. energy: -0.605 local terms energy: -379.945061 where: bonds (distance) C4'-P energy: -103.870 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -108.912 flat angles P-C4'-P energy: -73.803 tors. eta vs tors. theta energy: 10.572 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: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -584.179867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.179867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.179867 (E_RNA) where: Base-Base interactions energy: -243.597 where: short stacking energy: -158.402 Base-Backbone interact. energy: 0.128 local terms energy: -340.711126 where: bonds (distance) C4'-P energy: -87.806 bonds (distance) P-C4' energy: -113.669 flat angles C4'-P-C4' energy: -93.952 flat angles P-C4'-P energy: -56.520 tors. eta vs tors. theta energy: 11.236 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: 330 Temperature: 0.900000 Total energy: -2210.989072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.989072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.989072 (E_RNA) where: Base-Base interactions energy: -1534.199 where: short stacking energy: -636.828 Base-Backbone interact. energy: -5.722 local terms energy: -671.067588 where: bonds (distance) C4'-P energy: -134.021 bonds (distance) P-C4' energy: -126.870 flat angles C4'-P-C4' energy: -138.923 flat angles P-C4'-P energy: -93.086 tors. eta vs tors. theta energy: -178.168 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: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2096.352661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.352661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.352661 (E_RNA) where: Base-Base interactions energy: -1393.240 where: short stacking energy: -621.571 Base-Backbone interact. energy: 1.399 local terms energy: -704.511481 where: bonds (distance) C4'-P energy: -122.460 bonds (distance) P-C4' energy: -138.098 flat angles C4'-P-C4' energy: -150.134 flat angles P-C4'-P energy: -94.873 tors. eta vs tors. theta energy: -198.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2032.115933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.115933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.115933 (E_RNA) where: Base-Base interactions energy: -1408.009 where: short stacking energy: -591.142 Base-Backbone interact. energy: 0.251 local terms energy: -624.358336 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -136.707 flat angles P-C4'-P energy: -83.743 tors. eta vs tors. theta energy: -180.470 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: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1934.080875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.080875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.080875 (E_RNA) where: Base-Base interactions energy: -1360.282 where: short stacking energy: -560.201 Base-Backbone interact. energy: -3.446 local terms energy: -570.353129 where: bonds (distance) C4'-P energy: -96.931 bonds (distance) P-C4' energy: -118.036 flat angles C4'-P-C4' energy: -129.313 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -145.469 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: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1789.729954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.729954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.729954 (E_RNA) where: Base-Base interactions energy: -1197.261 where: short stacking energy: -531.481 Base-Backbone interact. energy: -2.209 local terms energy: -590.260364 where: bonds (distance) C4'-P energy: -122.645 bonds (distance) P-C4' energy: -116.353 flat angles C4'-P-C4' energy: -138.474 flat angles P-C4'-P energy: -61.738 tors. eta vs tors. theta energy: -151.051 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: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1479.881896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.881896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.881896 (E_RNA) where: Base-Base interactions energy: -957.405 where: short stacking energy: -436.082 Base-Backbone interact. energy: -1.067 local terms energy: -521.409568 where: bonds (distance) C4'-P energy: -111.132 bonds (distance) P-C4' energy: -106.246 flat angles C4'-P-C4' energy: -113.835 flat angles P-C4'-P energy: -69.748 tors. eta vs tors. theta energy: -120.448 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: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1313.073579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.073579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.073579 (E_RNA) where: Base-Base interactions energy: -824.635 where: short stacking energy: -389.692 Base-Backbone interact. energy: 0.175 local terms energy: -488.613780 where: bonds (distance) C4'-P energy: -106.486 bonds (distance) P-C4' energy: -98.779 flat angles C4'-P-C4' energy: -112.412 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -87.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -896.292577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.292577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.292577 (E_RNA) where: Base-Base interactions energy: -494.119 where: short stacking energy: -247.607 Base-Backbone interact. energy: 2.807 local terms energy: -404.980983 where: bonds (distance) C4'-P energy: -120.785 bonds (distance) P-C4' energy: -131.212 flat angles C4'-P-C4' energy: -94.724 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -597.570655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.570655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.570655 (E_RNA) where: Base-Base interactions energy: -274.008 where: short stacking energy: -183.795 Base-Backbone interact. energy: 1.846 local terms energy: -325.409104 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -93.012 flat angles C4'-P-C4' energy: -70.186 flat angles P-C4'-P energy: -60.714 tors. eta vs tors. theta energy: 7.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -612.949586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.949586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.949586 (E_RNA) where: Base-Base interactions energy: -265.528 where: short stacking energy: -183.506 Base-Backbone interact. energy: 0.079 local terms energy: -347.500341 where: bonds (distance) C4'-P energy: -88.218 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -97.587 flat angles P-C4'-P energy: -54.949 tors. eta vs tors. theta energy: 10.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2206.215080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.215080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.215080 (E_RNA) where: Base-Base interactions energy: -1564.340 where: short stacking energy: -617.149 Base-Backbone interact. energy: -3.842 local terms energy: -638.033656 where: bonds (distance) C4'-P energy: -115.890 bonds (distance) P-C4' energy: -121.866 flat angles C4'-P-C4' energy: -136.730 flat angles P-C4'-P energy: -89.566 tors. eta vs tors. theta energy: -173.982 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: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2088.911381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.911381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.911381 (E_RNA) where: Base-Base interactions energy: -1449.086 where: short stacking energy: -630.683 Base-Backbone interact. energy: -4.350 local terms energy: -635.474911 where: bonds (distance) C4'-P energy: -113.373 bonds (distance) P-C4' energy: -122.884 flat angles C4'-P-C4' energy: -129.953 flat angles P-C4'-P energy: -91.268 tors. eta vs tors. theta energy: -177.996 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: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2057.988668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.988668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.988668 (E_RNA) where: Base-Base interactions energy: -1414.344 where: short stacking energy: -625.051 Base-Backbone interact. energy: -1.220 local terms energy: -642.424733 where: bonds (distance) C4'-P energy: -119.307 bonds (distance) P-C4' energy: -112.444 flat angles C4'-P-C4' energy: -137.352 flat angles P-C4'-P energy: -80.608 tors. eta vs tors. theta energy: -192.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1904.809248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.809248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.809248 (E_RNA) where: Base-Base interactions energy: -1330.719 where: short stacking energy: -562.220 Base-Backbone interact. energy: -4.127 local terms energy: -569.962985 where: bonds (distance) C4'-P energy: -103.531 bonds (distance) P-C4' energy: -120.183 flat angles C4'-P-C4' energy: -120.647 flat angles P-C4'-P energy: -80.581 tors. eta vs tors. theta energy: -145.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1788.879390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.879390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.879390 (E_RNA) where: Base-Base interactions energy: -1204.289 where: short stacking energy: -527.260 Base-Backbone interact. energy: -0.631 local terms energy: -583.959990 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -121.162 flat angles C4'-P-C4' energy: -134.144 flat angles P-C4'-P energy: -76.534 tors. eta vs tors. theta energy: -143.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1490.080809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.080809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.080809 (E_RNA) where: Base-Base interactions energy: -960.740 where: short stacking energy: -468.569 Base-Backbone interact. energy: 1.504 local terms energy: -530.844669 where: bonds (distance) C4'-P energy: -125.760 bonds (distance) P-C4' energy: -110.885 flat angles C4'-P-C4' energy: -118.318 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -102.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1222.813346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.813346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.813346 (E_RNA) where: Base-Base interactions energy: -757.259 where: short stacking energy: -366.879 Base-Backbone interact. energy: -0.799 local terms energy: -464.755269 where: bonds (distance) C4'-P energy: -101.551 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -120.541 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -78.073 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: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -881.482034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.482034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.482034 (E_RNA) where: Base-Base interactions energy: -462.025 where: short stacking energy: -247.960 Base-Backbone interact. energy: -3.098 local terms energy: -416.359412 where: bonds (distance) C4'-P energy: -118.416 bonds (distance) P-C4' energy: -97.494 flat angles C4'-P-C4' energy: -112.423 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -24.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -599.938661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.938661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.938661 (E_RNA) where: Base-Base interactions energy: -229.651 where: short stacking energy: -158.911 Base-Backbone interact. energy: -2.516 local terms energy: -367.771659 where: bonds (distance) C4'-P energy: -112.128 bonds (distance) P-C4' energy: -109.725 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -61.514 tors. eta vs tors. theta energy: 12.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -585.645885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.645885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.645885 (E_RNA) where: Base-Base interactions energy: -241.668 where: short stacking energy: -171.986 Base-Backbone interact. energy: 4.238 local terms energy: -348.216104 where: bonds (distance) C4'-P energy: -104.945 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -71.663 flat angles P-C4'-P energy: -62.374 tors. eta vs tors. theta energy: -0.286 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: 332 Temperature: 0.900000 Total energy: -2182.251642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.251642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.251642 (E_RNA) where: Base-Base interactions energy: -1525.916 where: short stacking energy: -624.295 Base-Backbone interact. energy: -0.534 local terms energy: -655.801535 where: bonds (distance) C4'-P energy: -124.187 bonds (distance) P-C4' energy: -127.461 flat angles C4'-P-C4' energy: -138.583 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -169.181 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: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2124.387053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.387053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.387053 (E_RNA) where: Base-Base interactions energy: -1478.145 where: short stacking energy: -630.744 Base-Backbone interact. energy: -3.675 local terms energy: -642.566760 where: bonds (distance) C4'-P energy: -95.478 bonds (distance) P-C4' energy: -126.828 flat angles C4'-P-C4' energy: -138.084 flat angles P-C4'-P energy: -102.229 tors. eta vs tors. theta energy: -179.948 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: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2033.424368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.424368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.424368 (E_RNA) where: Base-Base interactions energy: -1361.832 where: short stacking energy: -645.457 Base-Backbone interact. energy: -1.699 local terms energy: -669.894035 where: bonds (distance) C4'-P energy: -129.649 bonds (distance) P-C4' energy: -112.945 flat angles C4'-P-C4' energy: -134.385 flat angles P-C4'-P energy: -98.557 tors. eta vs tors. theta energy: -194.358 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: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1885.804188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.804188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.804188 (E_RNA) where: Base-Base interactions energy: -1292.138 where: short stacking energy: -515.437 Base-Backbone interact. energy: 1.123 local terms energy: -594.789066 where: bonds (distance) C4'-P energy: -124.182 bonds (distance) P-C4' energy: -128.241 flat angles C4'-P-C4' energy: -126.793 flat angles P-C4'-P energy: -81.843 tors. eta vs tors. theta energy: -133.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1762.966394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.966394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.966394 (E_RNA) where: Base-Base interactions energy: -1212.780 where: short stacking energy: -492.575 Base-Backbone interact. energy: -4.672 local terms energy: -545.514247 where: bonds (distance) C4'-P energy: -100.982 bonds (distance) P-C4' energy: -109.520 flat angles C4'-P-C4' energy: -126.743 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: -131.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1510.311514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.311514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.311514 (E_RNA) where: Base-Base interactions energy: -999.272 where: short stacking energy: -441.796 Base-Backbone interact. energy: -0.943 local terms energy: -510.097115 where: bonds (distance) C4'-P energy: -91.475 bonds (distance) P-C4' energy: -111.363 flat angles C4'-P-C4' energy: -128.921 flat angles P-C4'-P energy: -81.502 tors. eta vs tors. theta energy: -96.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1202.093548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.093548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.093548 (E_RNA) where: Base-Base interactions energy: -750.601 where: short stacking energy: -377.587 Base-Backbone interact. energy: 0.089 local terms energy: -451.581408 where: bonds (distance) C4'-P energy: -91.072 bonds (distance) P-C4' energy: -108.099 flat angles C4'-P-C4' energy: -103.305 flat angles P-C4'-P energy: -72.947 tors. eta vs tors. theta energy: -76.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -916.877700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.877700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.877700 (E_RNA) where: Base-Base interactions energy: -506.502 where: short stacking energy: -256.425 Base-Backbone interact. energy: 5.018 local terms energy: -415.393694 where: bonds (distance) C4'-P energy: -115.111 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -68.418 tors. eta vs tors. theta energy: -25.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -635.486327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.486327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.486327 (E_RNA) where: Base-Base interactions energy: -275.331 where: short stacking energy: -189.419 Base-Backbone interact. energy: -2.837 local terms energy: -357.318249 where: bonds (distance) C4'-P energy: -110.822 bonds (distance) P-C4' energy: -104.242 flat angles C4'-P-C4' energy: -101.851 flat angles P-C4'-P energy: -54.567 tors. eta vs tors. theta energy: 14.165 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: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -572.227942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.227942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.227942 (E_RNA) where: Base-Base interactions energy: -262.445 where: short stacking energy: -164.296 Base-Backbone interact. energy: -1.488 local terms energy: -308.294132 where: bonds (distance) C4'-P energy: -94.054 bonds (distance) P-C4' energy: -90.995 flat angles C4'-P-C4' energy: -80.350 flat angles P-C4'-P energy: -51.459 tors. eta vs tors. theta energy: 8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2198.288705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.288705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.288705 (E_RNA) where: Base-Base interactions energy: -1540.960 where: short stacking energy: -637.475 Base-Backbone interact. energy: -1.130 local terms energy: -656.199307 where: bonds (distance) C4'-P energy: -118.963 bonds (distance) P-C4' energy: -131.957 flat angles C4'-P-C4' energy: -135.345 flat angles P-C4'-P energy: -82.980 tors. eta vs tors. theta energy: -186.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2119.656952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.656952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.656952 (E_RNA) where: Base-Base interactions energy: -1474.010 where: short stacking energy: -608.124 Base-Backbone interact. energy: -4.877 local terms energy: -640.769793 where: bonds (distance) C4'-P energy: -106.248 bonds (distance) P-C4' energy: -118.066 flat angles C4'-P-C4' energy: -142.766 flat angles P-C4'-P energy: -98.686 tors. eta vs tors. theta energy: -175.005 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: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2045.023222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.023222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.023222 (E_RNA) where: Base-Base interactions energy: -1361.689 where: short stacking energy: -603.080 Base-Backbone interact. energy: -2.532 local terms energy: -680.802578 where: bonds (distance) C4'-P energy: -116.654 bonds (distance) P-C4' energy: -141.700 flat angles C4'-P-C4' energy: -137.285 flat angles P-C4'-P energy: -100.183 tors. eta vs tors. theta energy: -184.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1918.231590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.231590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.231590 (E_RNA) where: Base-Base interactions energy: -1320.111 where: short stacking energy: -562.586 Base-Backbone interact. energy: -3.470 local terms energy: -594.650784 where: bonds (distance) C4'-P energy: -109.493 bonds (distance) P-C4' energy: -111.446 flat angles C4'-P-C4' energy: -126.943 flat angles P-C4'-P energy: -97.225 tors. eta vs tors. theta energy: -149.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1755.888327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.888327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.888327 (E_RNA) where: Base-Base interactions energy: -1193.768 where: short stacking energy: -510.703 Base-Backbone interact. energy: -4.450 local terms energy: -557.669586 where: bonds (distance) C4'-P energy: -84.813 bonds (distance) P-C4' energy: -122.727 flat angles C4'-P-C4' energy: -136.366 flat angles P-C4'-P energy: -80.822 tors. eta vs tors. theta energy: -132.942 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: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1526.208600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.208600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.208600 (E_RNA) where: Base-Base interactions energy: -1006.246 where: short stacking energy: -438.836 Base-Backbone interact. energy: -3.547 local terms energy: -516.415560 where: bonds (distance) C4'-P energy: -97.854 bonds (distance) P-C4' energy: -115.864 flat angles C4'-P-C4' energy: -96.676 flat angles P-C4'-P energy: -88.061 tors. eta vs tors. theta energy: -117.960 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: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1192.370004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.370004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.370004 (E_RNA) where: Base-Base interactions energy: -727.847 where: short stacking energy: -344.042 Base-Backbone interact. energy: -1.728 local terms energy: -462.794813 where: bonds (distance) C4'-P energy: -94.150 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -112.608 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: -66.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -893.677200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.677200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.677200 (E_RNA) where: Base-Base interactions energy: -497.276 where: short stacking energy: -256.639 Base-Backbone interact. energy: -2.844 local terms energy: -393.557647 where: bonds (distance) C4'-P energy: -94.972 bonds (distance) P-C4' energy: -86.164 flat angles C4'-P-C4' energy: -96.841 flat angles P-C4'-P energy: -71.979 tors. eta vs tors. theta energy: -43.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -664.607201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.607201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.607201 (E_RNA) where: Base-Base interactions energy: -342.158 where: short stacking energy: -190.383 Base-Backbone interact. energy: -2.268 local terms energy: -320.180671 where: bonds (distance) C4'-P energy: -90.818 bonds (distance) P-C4' energy: -107.694 flat angles C4'-P-C4' energy: -85.969 flat angles P-C4'-P energy: -37.248 tors. eta vs tors. theta energy: 1.549 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: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -581.396233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.396233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.396233 (E_RNA) where: Base-Base interactions energy: -249.365 where: short stacking energy: -159.452 Base-Backbone interact. energy: 4.195 local terms energy: -336.226368 where: bonds (distance) C4'-P energy: -92.998 bonds (distance) P-C4' energy: -113.803 flat angles C4'-P-C4' energy: -110.340 flat angles P-C4'-P energy: -32.780 tors. eta vs tors. theta energy: 13.695 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: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2201.265885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.265885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.265885 (E_RNA) where: Base-Base interactions energy: -1531.688 where: short stacking energy: -632.600 Base-Backbone interact. energy: -4.126 local terms energy: -665.451888 where: bonds (distance) C4'-P energy: -127.583 bonds (distance) P-C4' energy: -124.344 flat angles C4'-P-C4' energy: -139.766 flat angles P-C4'-P energy: -97.774 tors. eta vs tors. theta energy: -175.984 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: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2126.059708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.059708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.059708 (E_RNA) where: Base-Base interactions energy: -1467.131 where: short stacking energy: -614.581 Base-Backbone interact. energy: -0.290 local terms energy: -658.638952 where: bonds (distance) C4'-P energy: -116.634 bonds (distance) P-C4' energy: -121.838 flat angles C4'-P-C4' energy: -140.521 flat angles P-C4'-P energy: -101.008 tors. eta vs tors. theta energy: -178.638 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: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2062.858109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.858109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.858109 (E_RNA) where: Base-Base interactions energy: -1395.372 where: short stacking energy: -644.812 Base-Backbone interact. energy: -2.666 local terms energy: -664.819606 where: bonds (distance) C4'-P energy: -113.323 bonds (distance) P-C4' energy: -125.442 flat angles C4'-P-C4' energy: -137.093 flat angles P-C4'-P energy: -92.751 tors. eta vs tors. theta energy: -196.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1898.307434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.307434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.307434 (E_RNA) where: Base-Base interactions energy: -1310.710 where: short stacking energy: -551.427 Base-Backbone interact. energy: 0.466 local terms energy: -588.063060 where: bonds (distance) C4'-P energy: -113.257 bonds (distance) P-C4' energy: -120.760 flat angles C4'-P-C4' energy: -129.877 flat angles P-C4'-P energy: -79.453 tors. eta vs tors. theta energy: -144.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1747.139488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.139488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.139488 (E_RNA) where: Base-Base interactions energy: -1164.051 where: short stacking energy: -506.734 Base-Backbone interact. energy: -1.916 local terms energy: -581.172931 where: bonds (distance) C4'-P energy: -120.050 bonds (distance) P-C4' energy: -110.706 flat angles C4'-P-C4' energy: -123.298 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -135.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1565.694315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.694315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.694315 (E_RNA) where: Base-Base interactions energy: -1021.619 where: short stacking energy: -449.990 Base-Backbone interact. energy: 0.598 local terms energy: -544.673875 where: bonds (distance) C4'-P energy: -111.939 bonds (distance) P-C4' energy: -121.589 flat angles C4'-P-C4' energy: -113.849 flat angles P-C4'-P energy: -80.262 tors. eta vs tors. theta energy: -117.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1232.586832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.586832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.586832 (E_RNA) where: Base-Base interactions energy: -738.234 where: short stacking energy: -358.456 Base-Backbone interact. energy: -0.966 local terms energy: -493.386524 where: bonds (distance) C4'-P energy: -109.519 bonds (distance) P-C4' energy: -127.616 flat angles C4'-P-C4' energy: -114.649 flat angles P-C4'-P energy: -73.731 tors. eta vs tors. theta energy: -67.871 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -856.772484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.772484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.772484 (E_RNA) where: Base-Base interactions energy: -486.478 where: short stacking energy: -263.411 Base-Backbone interact. energy: 0.226 local terms energy: -370.520404 where: bonds (distance) C4'-P energy: -91.804 bonds (distance) P-C4' energy: -102.676 flat angles C4'-P-C4' energy: -94.760 flat angles P-C4'-P energy: -59.226 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: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -582.778946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.778946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.778946 (E_RNA) where: Base-Base interactions energy: -224.090 where: short stacking energy: -155.186 Base-Backbone interact. energy: 2.846 local terms energy: -361.534736 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -119.926 flat angles C4'-P-C4' energy: -92.415 flat angles P-C4'-P energy: -60.126 tors. eta vs tors. theta energy: 21.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -590.261418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.261418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.261418 (E_RNA) where: Base-Base interactions energy: -264.407 where: short stacking energy: -174.794 Base-Backbone interact. energy: -2.152 local terms energy: -323.701788 where: bonds (distance) C4'-P energy: -99.698 bonds (distance) P-C4' energy: -98.997 flat angles C4'-P-C4' energy: -80.637 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: 12.224 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: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2187.624577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.624577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.624577 (E_RNA) where: Base-Base interactions energy: -1511.791 where: short stacking energy: -615.428 Base-Backbone interact. energy: -0.697 local terms energy: -675.136538 where: bonds (distance) C4'-P energy: -113.754 bonds (distance) P-C4' energy: -140.710 flat angles C4'-P-C4' energy: -139.051 flat angles P-C4'-P energy: -99.414 tors. eta vs tors. theta energy: -182.208 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: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2099.131086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.131086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.131086 (E_RNA) where: Base-Base interactions energy: -1457.118 where: short stacking energy: -603.651 Base-Backbone interact. energy: -1.974 local terms energy: -640.038560 where: bonds (distance) C4'-P energy: -121.917 bonds (distance) P-C4' energy: -116.322 flat angles C4'-P-C4' energy: -131.912 flat angles P-C4'-P energy: -96.618 tors. eta vs tors. theta energy: -173.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2036.286251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.286251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.286251 (E_RNA) where: Base-Base interactions energy: -1371.345 where: short stacking energy: -642.773 Base-Backbone interact. energy: -2.526 local terms energy: -662.414525 where: bonds (distance) C4'-P energy: -112.221 bonds (distance) P-C4' energy: -129.758 flat angles C4'-P-C4' energy: -136.763 flat angles P-C4'-P energy: -95.301 tors. eta vs tors. theta energy: -188.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1930.897642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.897642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.897642 (E_RNA) where: Base-Base interactions energy: -1348.905 where: short stacking energy: -567.252 Base-Backbone interact. energy: -4.158 local terms energy: -577.833870 where: bonds (distance) C4'-P energy: -102.635 bonds (distance) P-C4' energy: -115.752 flat angles C4'-P-C4' energy: -119.120 flat angles P-C4'-P energy: -84.144 tors. eta vs tors. theta energy: -156.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1795.989233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.989233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.989233 (E_RNA) where: Base-Base interactions energy: -1193.588 where: short stacking energy: -522.317 Base-Backbone interact. energy: 2.297 local terms energy: -604.697891 where: bonds (distance) C4'-P energy: -118.454 bonds (distance) P-C4' energy: -124.377 flat angles C4'-P-C4' energy: -136.472 flat angles P-C4'-P energy: -75.657 tors. eta vs tors. theta energy: -149.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1579.359918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.359918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.359918 (E_RNA) where: Base-Base interactions energy: -1015.712 where: short stacking energy: -460.823 Base-Backbone interact. energy: 3.034 local terms energy: -566.682031 where: bonds (distance) C4'-P energy: -113.568 bonds (distance) P-C4' energy: -112.789 flat angles C4'-P-C4' energy: -130.354 flat angles P-C4'-P energy: -98.981 tors. eta vs tors. theta energy: -110.990 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: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1268.566407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.566407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.566407 (E_RNA) where: Base-Base interactions energy: -790.486 where: short stacking energy: -360.629 Base-Backbone interact. energy: -3.550 local terms energy: -474.530711 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -104.447 flat angles C4'-P-C4' energy: -110.789 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -73.034 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: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -902.625781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.625781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.625781 (E_RNA) where: Base-Base interactions energy: -529.122 where: short stacking energy: -285.425 Base-Backbone interact. energy: -2.203 local terms energy: -371.300626 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -105.930 flat angles C4'-P-C4' energy: -82.633 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -32.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -591.415184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.415184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.415184 (E_RNA) where: Base-Base interactions energy: -228.930 where: short stacking energy: -163.820 Base-Backbone interact. energy: 0.912 local terms energy: -363.397790 where: bonds (distance) C4'-P energy: -97.951 bonds (distance) P-C4' energy: -121.150 flat angles C4'-P-C4' energy: -98.747 flat angles P-C4'-P energy: -59.351 tors. eta vs tors. theta energy: 13.801 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: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -599.521203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.521203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.521203 (E_RNA) where: Base-Base interactions energy: -243.318 where: short stacking energy: -145.285 Base-Backbone interact. energy: -4.178 local terms energy: -352.025261 where: bonds (distance) C4'-P energy: -90.477 bonds (distance) P-C4' energy: -107.025 flat angles C4'-P-C4' energy: -101.733 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: 9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2178.588973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.588973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.588973 (E_RNA) where: Base-Base interactions energy: -1498.340 where: short stacking energy: -618.513 Base-Backbone interact. energy: -2.346 local terms energy: -677.903587 where: bonds (distance) C4'-P energy: -134.551 bonds (distance) P-C4' energy: -124.415 flat angles C4'-P-C4' energy: -144.038 flat angles P-C4'-P energy: -96.077 tors. eta vs tors. theta energy: -178.823 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: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2126.094145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.094145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.094145 (E_RNA) where: Base-Base interactions energy: -1463.175 where: short stacking energy: -634.459 Base-Backbone interact. energy: -1.007 local terms energy: -661.912037 where: bonds (distance) C4'-P energy: -109.484 bonds (distance) P-C4' energy: -113.783 flat angles C4'-P-C4' energy: -144.180 flat angles P-C4'-P energy: -107.752 tors. eta vs tors. theta energy: -186.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2019.487077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.487077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.487077 (E_RNA) where: Base-Base interactions energy: -1358.976 where: short stacking energy: -591.945 Base-Backbone interact. energy: -3.071 local terms energy: -657.440411 where: bonds (distance) C4'-P energy: -128.068 bonds (distance) P-C4' energy: -116.546 flat angles C4'-P-C4' energy: -141.294 flat angles P-C4'-P energy: -94.646 tors. eta vs tors. theta energy: -176.887 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: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1914.002623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.002623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.002623 (E_RNA) where: Base-Base interactions energy: -1353.831 where: short stacking energy: -553.882 Base-Backbone interact. energy: -7.346 local terms energy: -552.826157 where: bonds (distance) C4'-P energy: -104.902 bonds (distance) P-C4' energy: -111.537 flat angles C4'-P-C4' energy: -121.851 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -133.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1752.089668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.089668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.089668 (E_RNA) where: Base-Base interactions energy: -1197.686 where: short stacking energy: -515.905 Base-Backbone interact. energy: 0.198 local terms energy: -554.601174 where: bonds (distance) C4'-P energy: -95.295 bonds (distance) P-C4' energy: -108.980 flat angles C4'-P-C4' energy: -128.180 flat angles P-C4'-P energy: -82.293 tors. eta vs tors. theta energy: -139.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1545.656771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.656771 (E_RNA) where: Base-Base interactions energy: -1020.571 where: short stacking energy: -457.552 Base-Backbone interact. energy: 1.349 local terms energy: -526.434466 where: bonds (distance) C4'-P energy: -103.474 bonds (distance) P-C4' energy: -117.571 flat angles C4'-P-C4' energy: -121.450 flat angles P-C4'-P energy: -73.354 tors. eta vs tors. theta energy: -110.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1237.566215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.566215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.566215 (E_RNA) where: Base-Base interactions energy: -756.850 where: short stacking energy: -379.141 Base-Backbone interact. energy: -1.403 local terms energy: -479.313307 where: bonds (distance) C4'-P energy: -107.761 bonds (distance) P-C4' energy: -120.618 flat angles C4'-P-C4' energy: -104.681 flat angles P-C4'-P energy: -59.131 tors. eta vs tors. theta energy: -87.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -936.206534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.206534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.206534 (E_RNA) where: Base-Base interactions energy: -528.582 where: short stacking energy: -279.285 Base-Backbone interact. energy: 0.341 local terms energy: -407.966170 where: bonds (distance) C4'-P energy: -97.116 bonds (distance) P-C4' energy: -97.514 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -73.078 tors. eta vs tors. theta energy: -45.551 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: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -646.033845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.033845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.033845 (E_RNA) where: Base-Base interactions energy: -296.334 where: short stacking energy: -179.651 Base-Backbone interact. energy: 1.395 local terms energy: -351.094659 where: bonds (distance) C4'-P energy: -104.967 bonds (distance) P-C4' energy: -121.173 flat angles C4'-P-C4' energy: -89.309 flat angles P-C4'-P energy: -41.374 tors. eta vs tors. theta energy: 5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -568.560721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.560721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.560721 (E_RNA) where: Base-Base interactions energy: -237.421 where: short stacking energy: -169.924 Base-Backbone interact. energy: 5.177 local terms energy: -336.316335 where: bonds (distance) C4'-P energy: -101.062 bonds (distance) P-C4' energy: -104.547 flat angles C4'-P-C4' energy: -91.313 flat angles P-C4'-P energy: -49.068 tors. eta vs tors. theta energy: 9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2188.296845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.296845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.296845 (E_RNA) where: Base-Base interactions energy: -1497.144 where: short stacking energy: -618.723 Base-Backbone interact. energy: -2.149 local terms energy: -689.003706 where: bonds (distance) C4'-P energy: -135.670 bonds (distance) P-C4' energy: -129.966 flat angles C4'-P-C4' energy: -134.536 flat angles P-C4'-P energy: -103.024 tors. eta vs tors. theta energy: -185.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2141.219788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.219788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.219788 (E_RNA) where: Base-Base interactions energy: -1484.024 where: short stacking energy: -599.064 Base-Backbone interact. energy: -6.065 local terms energy: -651.130983 where: bonds (distance) C4'-P energy: -124.822 bonds (distance) P-C4' energy: -125.359 flat angles C4'-P-C4' energy: -139.482 flat angles P-C4'-P energy: -79.836 tors. eta vs tors. theta energy: -181.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2045.779090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.779090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.779090 (E_RNA) where: Base-Base interactions energy: -1388.687 where: short stacking energy: -652.553 Base-Backbone interact. energy: -4.118 local terms energy: -652.974094 where: bonds (distance) C4'-P energy: -118.197 bonds (distance) P-C4' energy: -99.339 flat angles C4'-P-C4' energy: -149.243 flat angles P-C4'-P energy: -88.314 tors. eta vs tors. theta energy: -197.881 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: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1910.516279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.516279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.516279 (E_RNA) where: Base-Base interactions energy: -1327.123 where: short stacking energy: -535.031 Base-Backbone interact. energy: -2.787 local terms energy: -580.606807 where: bonds (distance) C4'-P energy: -112.110 bonds (distance) P-C4' energy: -125.999 flat angles C4'-P-C4' energy: -123.728 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -139.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1752.803637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.803637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.803637 (E_RNA) where: Base-Base interactions energy: -1170.390 where: short stacking energy: -505.069 Base-Backbone interact. energy: -1.738 local terms energy: -580.675494 where: bonds (distance) C4'-P energy: -108.087 bonds (distance) P-C4' energy: -116.319 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -98.879 tors. eta vs tors. theta energy: -141.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1516.256085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.256085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.256085 (E_RNA) where: Base-Base interactions energy: -990.252 where: short stacking energy: -471.776 Base-Backbone interact. energy: 1.711 local terms energy: -527.715189 where: bonds (distance) C4'-P energy: -106.968 bonds (distance) P-C4' energy: -115.618 flat angles C4'-P-C4' energy: -111.041 flat angles P-C4'-P energy: -71.778 tors. eta vs tors. theta energy: -122.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1255.557291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.557291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.557291 (E_RNA) where: Base-Base interactions energy: -777.446 where: short stacking energy: -384.496 Base-Backbone interact. energy: -1.786 local terms energy: -476.325632 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -98.852 flat angles C4'-P-C4' energy: -118.828 flat angles P-C4'-P energy: -80.692 tors. eta vs tors. theta energy: -66.715 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: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -898.242678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.242678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.242678 (E_RNA) where: Base-Base interactions energy: -468.252 where: short stacking energy: -267.612 Base-Backbone interact. energy: 2.716 local terms energy: -432.707334 where: bonds (distance) C4'-P energy: -96.543 bonds (distance) P-C4' energy: -115.487 flat angles C4'-P-C4' energy: -113.726 flat angles P-C4'-P energy: -70.974 tors. eta vs tors. theta energy: -35.978 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: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -722.746603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.746603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.746603 (E_RNA) where: Base-Base interactions energy: -377.862 where: short stacking energy: -200.154 Base-Backbone interact. energy: -1.588 local terms energy: -343.295806 where: bonds (distance) C4'-P energy: -105.542 bonds (distance) P-C4' energy: -103.308 flat angles C4'-P-C4' energy: -82.794 flat angles P-C4'-P energy: -63.399 tors. eta vs tors. theta energy: 11.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -515.901815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.901815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.901815 (E_RNA) where: Base-Base interactions energy: -205.574 where: short stacking energy: -135.554 Base-Backbone interact. energy: 1.041 local terms energy: -311.367895 where: bonds (distance) C4'-P energy: -118.726 bonds (distance) P-C4' energy: -103.274 flat angles C4'-P-C4' energy: -83.035 flat angles P-C4'-P energy: -28.656 tors. eta vs tors. theta energy: 22.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2172.723830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.723830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.723830 (E_RNA) where: Base-Base interactions energy: -1514.825 where: short stacking energy: -656.909 Base-Backbone interact. energy: -0.696 local terms energy: -657.202746 where: bonds (distance) C4'-P energy: -123.894 bonds (distance) P-C4' energy: -115.870 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -97.254 tors. eta vs tors. theta energy: -183.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2134.248811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.248811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.248811 (E_RNA) where: Base-Base interactions energy: -1480.735 where: short stacking energy: -623.557 Base-Backbone interact. energy: -2.878 local terms energy: -650.635701 where: bonds (distance) C4'-P energy: -114.443 bonds (distance) P-C4' energy: -129.538 flat angles C4'-P-C4' energy: -148.648 flat angles P-C4'-P energy: -85.726 tors. eta vs tors. theta energy: -172.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2046.142629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.142629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.142629 (E_RNA) where: Base-Base interactions energy: -1412.943 where: short stacking energy: -640.925 Base-Backbone interact. energy: -0.402 local terms energy: -632.797362 where: bonds (distance) C4'-P energy: -99.139 bonds (distance) P-C4' energy: -118.727 flat angles C4'-P-C4' energy: -143.058 flat angles P-C4'-P energy: -94.014 tors. eta vs tors. theta energy: -177.859 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: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1935.952060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.952060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.952060 (E_RNA) where: Base-Base interactions energy: -1389.078 where: short stacking energy: -520.453 Base-Backbone interact. energy: 1.246 local terms energy: -548.120005 where: bonds (distance) C4'-P energy: -84.870 bonds (distance) P-C4' energy: -121.311 flat angles C4'-P-C4' energy: -112.922 flat angles P-C4'-P energy: -79.292 tors. eta vs tors. theta energy: -149.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1769.182966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.182966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.182966 (E_RNA) where: Base-Base interactions energy: -1223.805 where: short stacking energy: -539.265 Base-Backbone interact. energy: 0.266 local terms energy: -545.643002 where: bonds (distance) C4'-P energy: -110.423 bonds (distance) P-C4' energy: -109.844 flat angles C4'-P-C4' energy: -132.564 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -136.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1557.078209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.078209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.078209 (E_RNA) where: Base-Base interactions energy: -1019.716 where: short stacking energy: -465.442 Base-Backbone interact. energy: 0.016 local terms energy: -537.377988 where: bonds (distance) C4'-P energy: -105.692 bonds (distance) P-C4' energy: -114.356 flat angles C4'-P-C4' energy: -119.975 flat angles P-C4'-P energy: -78.618 tors. eta vs tors. theta energy: -118.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1310.778159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.778159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.778159 (E_RNA) where: Base-Base interactions energy: -863.538 where: short stacking energy: -374.097 Base-Backbone interact. energy: 1.525 local terms energy: -448.764922 where: bonds (distance) C4'-P energy: -93.060 bonds (distance) P-C4' energy: -103.260 flat angles C4'-P-C4' energy: -115.441 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -84.519 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: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -920.098245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.098245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.098245 (E_RNA) where: Base-Base interactions energy: -482.900 where: short stacking energy: -275.002 Base-Backbone interact. energy: -3.334 local terms energy: -433.863675 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -102.562 flat angles C4'-P-C4' energy: -126.058 flat angles P-C4'-P energy: -79.426 tors. eta vs tors. theta energy: -30.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -758.422906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.422906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.422906 (E_RNA) where: Base-Base interactions energy: -397.236 where: short stacking energy: -222.444 Base-Backbone interact. energy: -1.130 local terms energy: -360.056824 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -77.629 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -14.167 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: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -557.191540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.191540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.191540 (E_RNA) where: Base-Base interactions energy: -224.277 where: short stacking energy: -164.806 Base-Backbone interact. energy: 7.709 local terms energy: -340.623874 where: bonds (distance) C4'-P energy: -108.265 bonds (distance) P-C4' energy: -104.658 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -46.005 tors. eta vs tors. theta energy: 11.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2163.751116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.751116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.751116 (E_RNA) where: Base-Base interactions energy: -1478.690 where: short stacking energy: -616.989 Base-Backbone interact. energy: -2.998 local terms energy: -682.063355 where: bonds (distance) C4'-P energy: -122.618 bonds (distance) P-C4' energy: -133.753 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -99.646 tors. eta vs tors. theta energy: -190.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2089.155327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.155327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.155327 (E_RNA) where: Base-Base interactions energy: -1433.497 where: short stacking energy: -592.374 Base-Backbone interact. energy: -4.541 local terms energy: -651.116914 where: bonds (distance) C4'-P energy: -120.220 bonds (distance) P-C4' energy: -134.306 flat angles C4'-P-C4' energy: -141.801 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -157.031 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: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2075.637239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.637239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.637239 (E_RNA) where: Base-Base interactions energy: -1417.605 where: short stacking energy: -617.475 Base-Backbone interact. energy: -0.091 local terms energy: -657.941252 where: bonds (distance) C4'-P energy: -119.955 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -98.945 tors. eta vs tors. theta energy: -190.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1937.350845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.350845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.350845 (E_RNA) where: Base-Base interactions energy: -1329.094 where: short stacking energy: -545.971 Base-Backbone interact. energy: -1.276 local terms energy: -606.981149 where: bonds (distance) C4'-P energy: -123.182 bonds (distance) P-C4' energy: -125.088 flat angles C4'-P-C4' energy: -134.071 flat angles P-C4'-P energy: -72.684 tors. eta vs tors. theta energy: -151.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1780.881206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.881206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.881206 (E_RNA) where: Base-Base interactions energy: -1222.839 where: short stacking energy: -518.558 Base-Backbone interact. energy: -1.751 local terms energy: -556.292019 where: bonds (distance) C4'-P energy: -88.090 bonds (distance) P-C4' energy: -115.723 flat angles C4'-P-C4' energy: -129.573 flat angles P-C4'-P energy: -79.951 tors. eta vs tors. theta energy: -142.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1430.205843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.205843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.205843 (E_RNA) where: Base-Base interactions energy: -923.228 where: short stacking energy: -415.688 Base-Backbone interact. energy: -3.778 local terms energy: -503.199547 where: bonds (distance) C4'-P energy: -109.198 bonds (distance) P-C4' energy: -117.966 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -89.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1478.858779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.858779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.858779 (E_RNA) where: Base-Base interactions energy: -964.768 where: short stacking energy: -428.505 Base-Backbone interact. energy: 1.547 local terms energy: -515.637861 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -111.818 flat angles C4'-P-C4' energy: -116.986 flat angles P-C4'-P energy: -85.811 tors. eta vs tors. theta energy: -93.898 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: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -787.920665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.920665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.920665 (E_RNA) where: Base-Base interactions energy: -416.521 where: short stacking energy: -198.574 Base-Backbone interact. energy: -1.875 local terms energy: -369.525435 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -126.310 flat angles C4'-P-C4' energy: -81.315 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -816.473446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.473446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.473446 (E_RNA) where: Base-Base interactions energy: -461.604 where: short stacking energy: -242.753 Base-Backbone interact. energy: -1.835 local terms energy: -353.034316 where: bonds (distance) C4'-P energy: -105.261 bonds (distance) P-C4' energy: -103.356 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -41.111 tors. eta vs tors. theta energy: -14.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -538.433165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.433165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.433165 (E_RNA) where: Base-Base interactions energy: -209.750 where: short stacking energy: -157.645 Base-Backbone interact. energy: 0.242 local terms energy: -328.925353 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -106.471 flat angles C4'-P-C4' energy: -88.836 flat angles P-C4'-P energy: -40.203 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: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2157.827641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.827641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.827641 (E_RNA) where: Base-Base interactions energy: -1494.454 where: short stacking energy: -630.624 Base-Backbone interact. energy: -4.073 local terms energy: -659.300654 where: bonds (distance) C4'-P energy: -114.551 bonds (distance) P-C4' energy: -136.661 flat angles C4'-P-C4' energy: -130.325 flat angles P-C4'-P energy: -91.816 tors. eta vs tors. theta energy: -185.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2106.287155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.287155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.287155 (E_RNA) where: Base-Base interactions energy: -1455.065 where: short stacking energy: -605.677 Base-Backbone interact. energy: -3.275 local terms energy: -647.947570 where: bonds (distance) C4'-P energy: -133.616 bonds (distance) P-C4' energy: -117.148 flat angles C4'-P-C4' energy: -141.391 flat angles P-C4'-P energy: -76.283 tors. eta vs tors. theta energy: -179.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2043.472645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.472645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.472645 (E_RNA) where: Base-Base interactions energy: -1371.604 where: short stacking energy: -620.142 Base-Backbone interact. energy: 2.043 local terms energy: -673.912103 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -118.833 flat angles C4'-P-C4' energy: -139.171 flat angles P-C4'-P energy: -110.309 tors. eta vs tors. theta energy: -193.744 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: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1964.897228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.897228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.897228 (E_RNA) where: Base-Base interactions energy: -1365.953 where: short stacking energy: -563.382 Base-Backbone interact. energy: -4.315 local terms energy: -594.628994 where: bonds (distance) C4'-P energy: -114.439 bonds (distance) P-C4' energy: -117.054 flat angles C4'-P-C4' energy: -131.534 flat angles P-C4'-P energy: -82.626 tors. eta vs tors. theta energy: -148.976 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: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1742.368562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.368562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.368562 (E_RNA) where: Base-Base interactions energy: -1193.098 where: short stacking energy: -525.782 Base-Backbone interact. energy: 1.420 local terms energy: -550.690487 where: bonds (distance) C4'-P energy: -106.157 bonds (distance) P-C4' energy: -118.680 flat angles C4'-P-C4' energy: -113.275 flat angles P-C4'-P energy: -76.543 tors. eta vs tors. theta energy: -136.035 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: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1435.466792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.466792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.466792 (E_RNA) where: Base-Base interactions energy: -938.377 where: short stacking energy: -426.339 Base-Backbone interact. energy: -0.201 local terms energy: -496.888960 where: bonds (distance) C4'-P energy: -109.861 bonds (distance) P-C4' energy: -110.553 flat angles C4'-P-C4' energy: -109.387 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -94.778 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: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1429.889236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.889236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.889236 (E_RNA) where: Base-Base interactions energy: -919.744 where: short stacking energy: -404.680 Base-Backbone interact. energy: -3.185 local terms energy: -506.959543 where: bonds (distance) C4'-P energy: -102.635 bonds (distance) P-C4' energy: -113.331 flat angles C4'-P-C4' energy: -117.385 flat angles P-C4'-P energy: -87.292 tors. eta vs tors. theta energy: -86.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -820.509581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.509581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.509581 (E_RNA) where: Base-Base interactions energy: -429.638 where: short stacking energy: -228.480 Base-Backbone interact. energy: -1.846 local terms energy: -389.025114 where: bonds (distance) C4'-P energy: -112.447 bonds (distance) P-C4' energy: -95.394 flat angles C4'-P-C4' energy: -103.676 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -781.949598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.949598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.949598 (E_RNA) where: Base-Base interactions energy: -408.689 where: short stacking energy: -226.783 Base-Backbone interact. energy: 3.074 local terms energy: -376.334310 where: bonds (distance) C4'-P energy: -95.653 bonds (distance) P-C4' energy: -101.674 flat angles C4'-P-C4' energy: -94.701 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -24.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -573.275191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.275191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.275191 (E_RNA) where: Base-Base interactions energy: -205.431 where: short stacking energy: -157.494 Base-Backbone interact. energy: -5.138 local terms energy: -362.705584 where: bonds (distance) C4'-P energy: -88.971 bonds (distance) P-C4' energy: -122.579 flat angles C4'-P-C4' energy: -101.841 flat angles P-C4'-P energy: -38.694 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2178.215885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.215885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.215885 (E_RNA) where: Base-Base interactions energy: -1502.796 where: short stacking energy: -603.083 Base-Backbone interact. energy: -4.863 local terms energy: -670.557003 where: bonds (distance) C4'-P energy: -119.991 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -144.373 flat angles P-C4'-P energy: -106.775 tors. eta vs tors. theta energy: -175.391 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: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2106.254082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.254082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.254082 (E_RNA) where: Base-Base interactions energy: -1441.856 where: short stacking energy: -607.179 Base-Backbone interact. energy: -4.005 local terms energy: -660.393144 where: bonds (distance) C4'-P energy: -124.367 bonds (distance) P-C4' energy: -123.401 flat angles C4'-P-C4' energy: -140.577 flat angles P-C4'-P energy: -92.124 tors. eta vs tors. theta energy: -179.924 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: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2088.217878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.217878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.217878 (E_RNA) where: Base-Base interactions energy: -1416.397 where: short stacking energy: -633.880 Base-Backbone interact. energy: -4.567 local terms energy: -667.253351 where: bonds (distance) C4'-P energy: -110.714 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -143.447 flat angles P-C4'-P energy: -90.572 tors. eta vs tors. theta energy: -195.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1895.406810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.406810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.406810 (E_RNA) where: Base-Base interactions energy: -1298.589 where: short stacking energy: -537.397 Base-Backbone interact. energy: -2.187 local terms energy: -594.631031 where: bonds (distance) C4'-P energy: -116.889 bonds (distance) P-C4' energy: -112.690 flat angles C4'-P-C4' energy: -128.020 flat angles P-C4'-P energy: -94.452 tors. eta vs tors. theta energy: -142.579 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: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1721.035163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.035163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.035163 (E_RNA) where: Base-Base interactions energy: -1161.630 where: short stacking energy: -533.822 Base-Backbone interact. energy: 2.084 local terms energy: -561.488789 where: bonds (distance) C4'-P energy: -107.516 bonds (distance) P-C4' energy: -108.882 flat angles C4'-P-C4' energy: -112.891 flat angles P-C4'-P energy: -93.400 tors. eta vs tors. theta energy: -138.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1454.400730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.400730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.400730 (E_RNA) where: Base-Base interactions energy: -961.095 where: short stacking energy: -439.245 Base-Backbone interact. energy: 2.767 local terms energy: -496.071987 where: bonds (distance) C4'-P energy: -97.891 bonds (distance) P-C4' energy: -124.379 flat angles C4'-P-C4' energy: -101.331 flat angles P-C4'-P energy: -62.777 tors. eta vs tors. theta energy: -109.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1391.015008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.015008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.015008 (E_RNA) where: Base-Base interactions energy: -898.470 where: short stacking energy: -385.438 Base-Backbone interact. energy: -2.047 local terms energy: -490.498132 where: bonds (distance) C4'-P energy: -110.050 bonds (distance) P-C4' energy: -101.656 flat angles C4'-P-C4' energy: -110.599 flat angles P-C4'-P energy: -74.098 tors. eta vs tors. theta energy: -94.096 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: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -886.744593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.744593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.744593 (E_RNA) where: Base-Base interactions energy: -514.060 where: short stacking energy: -296.219 Base-Backbone interact. energy: -2.785 local terms energy: -369.899884 where: bonds (distance) C4'-P energy: -102.286 bonds (distance) P-C4' energy: -112.003 flat angles C4'-P-C4' energy: -85.170 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -27.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -790.311321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.311321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.311321 (E_RNA) where: Base-Base interactions energy: -422.003 where: short stacking energy: -243.551 Base-Backbone interact. energy: -1.897 local terms energy: -366.410725 where: bonds (distance) C4'-P energy: -100.153 bonds (distance) P-C4' energy: -121.000 flat angles C4'-P-C4' energy: -82.975 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -11.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -526.764913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.764913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.764913 (E_RNA) where: Base-Base interactions energy: -187.227 where: short stacking energy: -123.748 Base-Backbone interact. energy: 2.542 local terms energy: -342.080296 where: bonds (distance) C4'-P energy: -112.439 bonds (distance) P-C4' energy: -102.810 flat angles C4'-P-C4' energy: -93.028 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: 18.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2192.597790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.597790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.597790 (E_RNA) where: Base-Base interactions energy: -1539.813 where: short stacking energy: -651.803 Base-Backbone interact. energy: -8.383 local terms energy: -644.401745 where: bonds (distance) C4'-P energy: -107.750 bonds (distance) P-C4' energy: -113.083 flat angles C4'-P-C4' energy: -143.062 flat angles P-C4'-P energy: -93.960 tors. eta vs tors. theta energy: -186.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2125.973004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.973004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.973004 (E_RNA) where: Base-Base interactions energy: -1476.944 where: short stacking energy: -615.275 Base-Backbone interact. energy: -4.100 local terms energy: -644.928865 where: bonds (distance) C4'-P energy: -117.626 bonds (distance) P-C4' energy: -121.273 flat angles C4'-P-C4' energy: -137.935 flat angles P-C4'-P energy: -88.367 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: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2018.220098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.220098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.220098 (E_RNA) where: Base-Base interactions energy: -1357.849 where: short stacking energy: -604.101 Base-Backbone interact. energy: -3.535 local terms energy: -656.836331 where: bonds (distance) C4'-P energy: -115.291 bonds (distance) P-C4' energy: -117.182 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -93.966 tors. eta vs tors. theta energy: -180.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1910.510067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.510067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.510067 (E_RNA) where: Base-Base interactions energy: -1328.228 where: short stacking energy: -536.446 Base-Backbone interact. energy: 0.836 local terms energy: -583.118207 where: bonds (distance) C4'-P energy: -120.061 bonds (distance) P-C4' energy: -116.391 flat angles C4'-P-C4' energy: -124.841 flat angles P-C4'-P energy: -69.634 tors. eta vs tors. theta energy: -152.192 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: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1686.204618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.204618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.204618 (E_RNA) where: Base-Base interactions energy: -1117.686 where: short stacking energy: -498.800 Base-Backbone interact. energy: -2.039 local terms energy: -566.479398 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -120.488 flat angles C4'-P-C4' energy: -114.977 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -138.544 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: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1493.975759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.975759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.975759 (E_RNA) where: Base-Base interactions energy: -996.610 where: short stacking energy: -458.614 Base-Backbone interact. energy: 4.374 local terms energy: -501.739299 where: bonds (distance) C4'-P energy: -110.255 bonds (distance) P-C4' energy: -105.693 flat angles C4'-P-C4' energy: -121.895 flat angles P-C4'-P energy: -59.764 tors. eta vs tors. theta energy: -104.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1370.900995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.900995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.900995 (E_RNA) where: Base-Base interactions energy: -917.125 where: short stacking energy: -371.100 Base-Backbone interact. energy: 0.545 local terms energy: -454.321307 where: bonds (distance) C4'-P energy: -88.658 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -123.873 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -71.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -873.482716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.482716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.482716 (E_RNA) where: Base-Base interactions energy: -460.786 where: short stacking energy: -246.205 Base-Backbone interact. energy: -4.208 local terms energy: -408.489113 where: bonds (distance) C4'-P energy: -87.377 bonds (distance) P-C4' energy: -128.701 flat angles C4'-P-C4' energy: -102.728 flat angles P-C4'-P energy: -77.658 tors. eta vs tors. theta energy: -12.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -724.184756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.184756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.184756 (E_RNA) where: Base-Base interactions energy: -342.175 where: short stacking energy: -221.075 Base-Backbone interact. energy: 2.208 local terms energy: -384.218160 where: bonds (distance) C4'-P energy: -107.783 bonds (distance) P-C4' energy: -116.756 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: -9.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -530.139203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.139203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.139203 (E_RNA) where: Base-Base interactions energy: -195.053 where: short stacking energy: -136.892 Base-Backbone interact. energy: -1.041 local terms energy: -334.045237 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -98.492 flat angles C4'-P-C4' energy: -97.581 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: 20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2204.076094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.076094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.076094 (E_RNA) where: Base-Base interactions energy: -1543.432 where: short stacking energy: -637.854 Base-Backbone interact. energy: -3.086 local terms energy: -657.558219 where: bonds (distance) C4'-P energy: -115.773 bonds (distance) P-C4' energy: -117.005 flat angles C4'-P-C4' energy: -147.653 flat angles P-C4'-P energy: -97.690 tors. eta vs tors. theta energy: -179.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2102.203000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.203000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.203000 (E_RNA) where: Base-Base interactions energy: -1456.257 where: short stacking energy: -607.189 Base-Backbone interact. energy: -4.801 local terms energy: -641.144769 where: bonds (distance) C4'-P energy: -113.035 bonds (distance) P-C4' energy: -119.955 flat angles C4'-P-C4' energy: -139.153 flat angles P-C4'-P energy: -86.166 tors. eta vs tors. theta energy: -182.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2107.581270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.581270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.581270 (E_RNA) where: Base-Base interactions energy: -1436.239 where: short stacking energy: -644.891 Base-Backbone interact. energy: 2.734 local terms energy: -674.075850 where: bonds (distance) C4'-P energy: -114.833 bonds (distance) P-C4' energy: -127.555 flat angles C4'-P-C4' energy: -139.666 flat angles P-C4'-P energy: -98.699 tors. eta vs tors. theta energy: -193.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1934.146514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.146514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.146514 (E_RNA) where: Base-Base interactions energy: -1338.608 where: short stacking energy: -546.428 Base-Backbone interact. energy: -3.272 local terms energy: -592.267015 where: bonds (distance) C4'-P energy: -118.674 bonds (distance) P-C4' energy: -110.449 flat angles C4'-P-C4' energy: -128.833 flat angles P-C4'-P energy: -86.150 tors. eta vs tors. theta energy: -148.161 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: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1698.529707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.529707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.529707 (E_RNA) where: Base-Base interactions energy: -1120.052 where: short stacking energy: -502.268 Base-Backbone interact. energy: -1.856 local terms energy: -576.621543 where: bonds (distance) C4'-P energy: -110.279 bonds (distance) P-C4' energy: -112.344 flat angles C4'-P-C4' energy: -142.034 flat angles P-C4'-P energy: -81.647 tors. eta vs tors. theta energy: -130.317 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: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1473.407623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.407623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.407623 (E_RNA) where: Base-Base interactions energy: -968.190 where: short stacking energy: -426.872 Base-Backbone interact. energy: -1.322 local terms energy: -503.895995 where: bonds (distance) C4'-P energy: -114.567 bonds (distance) P-C4' energy: -115.058 flat angles C4'-P-C4' energy: -117.431 flat angles P-C4'-P energy: -61.278 tors. eta vs tors. theta energy: -95.561 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: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1354.597958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.597958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.597958 (E_RNA) where: Base-Base interactions energy: -882.685 where: short stacking energy: -391.791 Base-Backbone interact. energy: 0.216 local terms energy: -472.128938 where: bonds (distance) C4'-P energy: -95.774 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -117.209 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -82.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -916.352564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.352564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.352564 (E_RNA) where: Base-Base interactions energy: -491.358 where: short stacking energy: -272.476 Base-Backbone interact. energy: 0.294 local terms energy: -425.289209 where: bonds (distance) C4'-P energy: -110.257 bonds (distance) P-C4' energy: -101.740 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -65.624 tors. eta vs tors. theta energy: -32.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -673.812597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.812597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.812597 (E_RNA) where: Base-Base interactions energy: -308.667 where: short stacking energy: -186.836 Base-Backbone interact. energy: -1.037 local terms energy: -364.109327 where: bonds (distance) C4'-P energy: -106.369 bonds (distance) P-C4' energy: -115.818 flat angles C4'-P-C4' energy: -81.152 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -2.899 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: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -503.867171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.867171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.867171 (E_RNA) where: Base-Base interactions energy: -195.047 where: short stacking energy: -95.775 Base-Backbone interact. energy: -1.464 local terms energy: -307.356710 where: bonds (distance) C4'-P energy: -100.623 bonds (distance) P-C4' energy: -90.335 flat angles C4'-P-C4' energy: -88.085 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: 32.941 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: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2207.834136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.834136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.834136 (E_RNA) where: Base-Base interactions energy: -1543.175 where: short stacking energy: -637.233 Base-Backbone interact. energy: -2.754 local terms energy: -661.905668 where: bonds (distance) C4'-P energy: -135.422 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -139.190 flat angles P-C4'-P energy: -84.808 tors. eta vs tors. theta energy: -180.036 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: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2116.419158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.419158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.419158 (E_RNA) where: Base-Base interactions energy: -1471.208 where: short stacking energy: -625.822 Base-Backbone interact. energy: -0.360 local terms energy: -644.851301 where: bonds (distance) C4'-P energy: -130.277 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -135.495 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -173.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2057.131146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.131146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.131146 (E_RNA) where: Base-Base interactions energy: -1390.506 where: short stacking energy: -625.610 Base-Backbone interact. energy: -3.325 local terms energy: -663.299485 where: bonds (distance) C4'-P energy: -116.928 bonds (distance) P-C4' energy: -124.741 flat angles C4'-P-C4' energy: -128.867 flat angles P-C4'-P energy: -99.512 tors. eta vs tors. theta energy: -193.251 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1935.137114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.137114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.137114 (E_RNA) where: Base-Base interactions energy: -1360.054 where: short stacking energy: -541.478 Base-Backbone interact. energy: -3.397 local terms energy: -571.685892 where: bonds (distance) C4'-P energy: -104.237 bonds (distance) P-C4' energy: -124.944 flat angles C4'-P-C4' energy: -128.377 flat angles P-C4'-P energy: -70.744 tors. eta vs tors. theta energy: -143.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1725.263782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.263782 (E_RNA) where: Base-Base interactions energy: -1160.352 where: short stacking energy: -521.836 Base-Backbone interact. energy: 0.582 local terms energy: -565.493369 where: bonds (distance) C4'-P energy: -112.205 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -131.170 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -140.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1479.334749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.334749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.334749 (E_RNA) where: Base-Base interactions energy: -972.008 where: short stacking energy: -425.822 Base-Backbone interact. energy: -2.211 local terms energy: -505.116130 where: bonds (distance) C4'-P energy: -109.705 bonds (distance) P-C4' energy: -105.889 flat angles C4'-P-C4' energy: -113.259 flat angles P-C4'-P energy: -75.886 tors. eta vs tors. theta energy: -100.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1337.320779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.320779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.320779 (E_RNA) where: Base-Base interactions energy: -891.659 where: short stacking energy: -417.255 Base-Backbone interact. energy: 3.819 local terms energy: -449.481091 where: bonds (distance) C4'-P energy: -92.165 bonds (distance) P-C4' energy: -113.066 flat angles C4'-P-C4' energy: -111.659 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -80.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -927.141021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.141021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.141021 (E_RNA) where: Base-Base interactions energy: -569.383 where: short stacking energy: -269.936 Base-Backbone interact. energy: -0.321 local terms energy: -357.437584 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -96.971 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -57.932 tors. eta vs tors. theta energy: -26.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -686.152917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.152917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.152917 (E_RNA) where: Base-Base interactions energy: -315.261 where: short stacking energy: -181.566 Base-Backbone interact. energy: 1.027 local terms energy: -371.918366 where: bonds (distance) C4'-P energy: -98.255 bonds (distance) P-C4' energy: -117.450 flat angles C4'-P-C4' energy: -96.295 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -13.941 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: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -567.235931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.235931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.235931 (E_RNA) where: Base-Base interactions energy: -235.086 where: short stacking energy: -185.675 Base-Backbone interact. energy: 5.086 local terms energy: -337.235935 where: bonds (distance) C4'-P energy: -92.307 bonds (distance) P-C4' energy: -102.060 flat angles C4'-P-C4' energy: -102.263 flat angles P-C4'-P energy: -45.402 tors. eta vs tors. theta energy: 4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2242.154954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.154954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.154954 (E_RNA) where: Base-Base interactions energy: -1553.561 where: short stacking energy: -641.093 Base-Backbone interact. energy: -2.274 local terms energy: -686.320023 where: bonds (distance) C4'-P energy: -131.494 bonds (distance) P-C4' energy: -117.486 flat angles C4'-P-C4' energy: -139.996 flat angles P-C4'-P energy: -111.841 tors. eta vs tors. theta energy: -185.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2177.684725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.684725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.684725 (E_RNA) where: Base-Base interactions energy: -1498.990 where: short stacking energy: -627.613 Base-Backbone interact. energy: -3.086 local terms energy: -675.608189 where: bonds (distance) C4'-P energy: -121.562 bonds (distance) P-C4' energy: -135.985 flat angles C4'-P-C4' energy: -146.400 flat angles P-C4'-P energy: -87.442 tors. eta vs tors. theta energy: -184.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2055.455308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.455308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.455308 (E_RNA) where: Base-Base interactions energy: -1414.701 where: short stacking energy: -634.261 Base-Backbone interact. energy: -1.412 local terms energy: -639.342153 where: bonds (distance) C4'-P energy: -102.354 bonds (distance) P-C4' energy: -118.735 flat angles C4'-P-C4' energy: -130.821 flat angles P-C4'-P energy: -98.437 tors. eta vs tors. theta energy: -188.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1934.354882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.354882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.354882 (E_RNA) where: Base-Base interactions energy: -1372.225 where: short stacking energy: -558.290 Base-Backbone interact. energy: 2.993 local terms energy: -565.123226 where: bonds (distance) C4'-P energy: -120.662 bonds (distance) P-C4' energy: -87.315 flat angles C4'-P-C4' energy: -125.373 flat angles P-C4'-P energy: -86.001 tors. eta vs tors. theta energy: -145.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1799.925038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.925038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.925038 (E_RNA) where: Base-Base interactions energy: -1189.886 where: short stacking energy: -525.295 Base-Backbone interact. energy: -0.945 local terms energy: -609.093848 where: bonds (distance) C4'-P energy: -112.625 bonds (distance) P-C4' energy: -127.163 flat angles C4'-P-C4' energy: -141.176 flat angles P-C4'-P energy: -87.986 tors. eta vs tors. theta energy: -140.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1519.818877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.818877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.818877 (E_RNA) where: Base-Base interactions energy: -990.962 where: short stacking energy: -439.929 Base-Backbone interact. energy: 2.336 local terms energy: -531.193098 where: bonds (distance) C4'-P energy: -101.744 bonds (distance) P-C4' energy: -126.062 flat angles C4'-P-C4' energy: -119.857 flat angles P-C4'-P energy: -65.167 tors. eta vs tors. theta energy: -118.362 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: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1374.953730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.953730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.953730 (E_RNA) where: Base-Base interactions energy: -880.817 where: short stacking energy: -407.144 Base-Backbone interact. energy: -0.788 local terms energy: -493.349443 where: bonds (distance) C4'-P energy: -103.261 bonds (distance) P-C4' energy: -110.122 flat angles C4'-P-C4' energy: -118.571 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -83.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -968.513872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.513872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.513872 (E_RNA) where: Base-Base interactions energy: -569.422 where: short stacking energy: -273.353 Base-Backbone interact. energy: -0.487 local terms energy: -398.605309 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -112.727 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -682.618918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.618918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.618918 (E_RNA) where: Base-Base interactions energy: -325.101 where: short stacking energy: -193.258 Base-Backbone interact. energy: 4.442 local terms energy: -361.959463 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -114.333 flat angles C4'-P-C4' energy: -81.935 flat angles P-C4'-P energy: -64.808 tors. eta vs tors. theta energy: -1.088 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: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -571.865547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.865547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.865547 (E_RNA) where: Base-Base interactions energy: -243.074 where: short stacking energy: -167.547 Base-Backbone interact. energy: 2.302 local terms energy: -331.092971 where: bonds (distance) C4'-P energy: -101.998 bonds (distance) P-C4' energy: -103.157 flat angles C4'-P-C4' energy: -95.395 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: 16.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2211.819540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.819540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.819540 (E_RNA) where: Base-Base interactions energy: -1562.388 where: short stacking energy: -633.127 Base-Backbone interact. energy: -4.908 local terms energy: -644.524246 where: bonds (distance) C4'-P energy: -106.566 bonds (distance) P-C4' energy: -126.316 flat angles C4'-P-C4' energy: -137.570 flat angles P-C4'-P energy: -104.213 tors. eta vs tors. theta energy: -169.859 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: 346 Temperature: 0.950000 Total energy: -2166.765613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.765613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.765613 (E_RNA) where: Base-Base interactions energy: -1508.730 where: short stacking energy: -629.828 Base-Backbone interact. energy: -3.630 local terms energy: -654.405654 where: bonds (distance) C4'-P energy: -110.148 bonds (distance) P-C4' energy: -112.772 flat angles C4'-P-C4' energy: -148.727 flat angles P-C4'-P energy: -104.140 tors. eta vs tors. theta energy: -178.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2045.120172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.120172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.120172 (E_RNA) where: Base-Base interactions energy: -1393.641 where: short stacking energy: -622.198 Base-Backbone interact. energy: 0.110 local terms energy: -651.589043 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -118.864 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -99.436 tors. eta vs tors. theta energy: -187.883 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: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1965.505923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.505923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.505923 (E_RNA) where: Base-Base interactions energy: -1340.150 where: short stacking energy: -551.440 Base-Backbone interact. energy: -2.081 local terms energy: -623.274655 where: bonds (distance) C4'-P energy: -128.405 bonds (distance) P-C4' energy: -122.965 flat angles C4'-P-C4' energy: -137.255 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -156.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1728.856027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.856027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.856027 (E_RNA) where: Base-Base interactions energy: -1132.767 where: short stacking energy: -511.190 Base-Backbone interact. energy: -2.335 local terms energy: -593.753760 where: bonds (distance) C4'-P energy: -112.229 bonds (distance) P-C4' energy: -118.569 flat angles C4'-P-C4' energy: -121.046 flat angles P-C4'-P energy: -89.036 tors. eta vs tors. theta energy: -152.873 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: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1496.367876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.367876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.367876 (E_RNA) where: Base-Base interactions energy: -970.227 where: short stacking energy: -428.588 Base-Backbone interact. energy: 0.851 local terms energy: -526.992240 where: bonds (distance) C4'-P energy: -102.286 bonds (distance) P-C4' energy: -117.793 flat angles C4'-P-C4' energy: -122.311 flat angles P-C4'-P energy: -76.611 tors. eta vs tors. theta energy: -107.991 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: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1339.985009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.985009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.985009 (E_RNA) where: Base-Base interactions energy: -854.982 where: short stacking energy: -367.983 Base-Backbone interact. energy: 1.059 local terms energy: -486.062395 where: bonds (distance) C4'-P energy: -78.133 bonds (distance) P-C4' energy: -115.284 flat angles C4'-P-C4' energy: -125.607 flat angles P-C4'-P energy: -82.519 tors. eta vs tors. theta energy: -84.519 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: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -994.581957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.581957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.581957 (E_RNA) where: Base-Base interactions energy: -581.529 where: short stacking energy: -296.990 Base-Backbone interact. energy: 2.693 local terms energy: -415.746126 where: bonds (distance) C4'-P energy: -112.338 bonds (distance) P-C4' energy: -93.153 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -57.251 tors. eta vs tors. theta energy: -41.971 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: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -697.211990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.211990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.211990 (E_RNA) where: Base-Base interactions energy: -370.096 where: short stacking energy: -199.904 Base-Backbone interact. energy: -2.063 local terms energy: -325.053168 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -108.862 flat angles C4'-P-C4' energy: -101.078 flat angles P-C4'-P energy: -42.233 tors. eta vs tors. theta energy: 11.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -553.361547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.361547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.361547 (E_RNA) where: Base-Base interactions energy: -244.084 where: short stacking energy: -186.464 Base-Backbone interact. energy: -2.039 local terms energy: -307.238423 where: bonds (distance) C4'-P energy: -82.540 bonds (distance) P-C4' energy: -107.763 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: 1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2197.757128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.757128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.757128 (E_RNA) where: Base-Base interactions energy: -1523.635 where: short stacking energy: -621.763 Base-Backbone interact. energy: -6.809 local terms energy: -667.312840 where: bonds (distance) C4'-P energy: -107.798 bonds (distance) P-C4' energy: -137.385 flat angles C4'-P-C4' energy: -138.232 flat angles P-C4'-P energy: -97.691 tors. eta vs tors. theta energy: -186.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2150.193450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.193450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.193450 (E_RNA) where: Base-Base interactions energy: -1495.722 where: short stacking energy: -600.664 Base-Backbone interact. energy: -3.326 local terms energy: -651.145530 where: bonds (distance) C4'-P energy: -111.646 bonds (distance) P-C4' energy: -130.781 flat angles C4'-P-C4' energy: -135.562 flat angles P-C4'-P energy: -93.555 tors. eta vs tors. theta energy: -179.602 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: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2083.031505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.031505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.031505 (E_RNA) where: Base-Base interactions energy: -1422.717 where: short stacking energy: -621.518 Base-Backbone interact. energy: 1.509 local terms energy: -661.823048 where: bonds (distance) C4'-P energy: -129.284 bonds (distance) P-C4' energy: -111.993 flat angles C4'-P-C4' energy: -144.017 flat angles P-C4'-P energy: -88.163 tors. eta vs tors. theta energy: -188.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1929.011836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.011836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.011836 (E_RNA) where: Base-Base interactions energy: -1337.038 where: short stacking energy: -544.926 Base-Backbone interact. energy: -7.062 local terms energy: -584.912273 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -123.755 flat angles C4'-P-C4' energy: -116.279 flat angles P-C4'-P energy: -86.595 tors. eta vs tors. theta energy: -148.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1737.049196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.049196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.049196 (E_RNA) where: Base-Base interactions energy: -1146.375 where: short stacking energy: -516.160 Base-Backbone interact. energy: -1.884 local terms energy: -588.790590 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -132.728 flat angles P-C4'-P energy: -87.745 tors. eta vs tors. theta energy: -132.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1515.688645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.688645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.688645 (E_RNA) where: Base-Base interactions energy: -997.365 where: short stacking energy: -459.474 Base-Backbone interact. energy: 0.103 local terms energy: -518.427088 where: bonds (distance) C4'-P energy: -118.356 bonds (distance) P-C4' energy: -105.815 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -63.420 tors. eta vs tors. theta energy: -110.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1374.375782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.375782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.375782 (E_RNA) where: Base-Base interactions energy: -920.788 where: short stacking energy: -431.330 Base-Backbone interact. energy: 2.878 local terms energy: -456.466591 where: bonds (distance) C4'-P energy: -91.278 bonds (distance) P-C4' energy: -81.433 flat angles C4'-P-C4' energy: -121.532 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -102.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -951.930668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.930668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.930668 (E_RNA) where: Base-Base interactions energy: -544.914 where: short stacking energy: -260.487 Base-Backbone interact. energy: 0.576 local terms energy: -407.592266 where: bonds (distance) C4'-P energy: -107.453 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -116.240 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: -10.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -614.477673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.477673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.477673 (E_RNA) where: Base-Base interactions energy: -280.416 where: short stacking energy: -178.974 Base-Backbone interact. energy: 2.177 local terms energy: -336.239298 where: bonds (distance) C4'-P energy: -104.379 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -29.912 tors. eta vs tors. theta energy: 7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -488.523287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.523287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.523287 (E_RNA) where: Base-Base interactions energy: -169.775 where: short stacking energy: -138.909 Base-Backbone interact. energy: -0.931 local terms energy: -317.817521 where: bonds (distance) C4'-P energy: -110.155 bonds (distance) P-C4' energy: -118.147 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -47.737 tors. eta vs tors. theta energy: 31.289 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: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2194.333053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.333053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.333053 (E_RNA) where: Base-Base interactions energy: -1505.188 where: short stacking energy: -612.082 Base-Backbone interact. energy: -4.313 local terms energy: -684.832633 where: bonds (distance) C4'-P energy: -113.678 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -151.401 flat angles P-C4'-P energy: -101.139 tors. eta vs tors. theta energy: -188.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2187.355473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.355473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.355473 (E_RNA) where: Base-Base interactions energy: -1522.799 where: short stacking energy: -629.631 Base-Backbone interact. energy: -6.494 local terms energy: -658.062946 where: bonds (distance) C4'-P energy: -133.532 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -144.248 flat angles P-C4'-P energy: -98.395 tors. eta vs tors. theta energy: -181.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2084.003113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.003113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.003113 (E_RNA) where: Base-Base interactions energy: -1415.585 where: short stacking energy: -624.093 Base-Backbone interact. energy: -1.314 local terms energy: -667.104374 where: bonds (distance) C4'-P energy: -118.354 bonds (distance) P-C4' energy: -122.776 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -89.408 tors. eta vs tors. theta energy: -195.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1908.751453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.751453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.751453 (E_RNA) where: Base-Base interactions energy: -1338.967 where: short stacking energy: -553.387 Base-Backbone interact. energy: 6.446 local terms energy: -576.230600 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -113.917 flat angles C4'-P-C4' energy: -115.195 flat angles P-C4'-P energy: -70.282 tors. eta vs tors. theta energy: -154.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1714.838658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.838658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.838658 (E_RNA) where: Base-Base interactions energy: -1159.519 where: short stacking energy: -511.370 Base-Backbone interact. energy: 0.486 local terms energy: -555.806270 where: bonds (distance) C4'-P energy: -100.731 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -111.944 flat angles P-C4'-P energy: -84.025 tors. eta vs tors. theta energy: -142.338 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: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1542.135170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.135170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.135170 (E_RNA) where: Base-Base interactions energy: -1001.437 where: short stacking energy: -438.857 Base-Backbone interact. energy: -0.063 local terms energy: -540.635600 where: bonds (distance) C4'-P energy: -103.577 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -122.053 flat angles P-C4'-P energy: -89.970 tors. eta vs tors. theta energy: -104.816 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1327.737305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.737305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.737305 (E_RNA) where: Base-Base interactions energy: -863.397 where: short stacking energy: -401.016 Base-Backbone interact. energy: 4.996 local terms energy: -469.336418 where: bonds (distance) C4'-P energy: -96.872 bonds (distance) P-C4' energy: -100.769 flat angles C4'-P-C4' energy: -119.323 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: -77.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -899.051555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.051555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.051555 (E_RNA) where: Base-Base interactions energy: -498.711 where: short stacking energy: -259.574 Base-Backbone interact. energy: 4.514 local terms energy: -404.854366 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -98.304 flat angles C4'-P-C4' energy: -86.228 flat angles P-C4'-P energy: -77.804 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: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -633.786528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.786528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.786528 (E_RNA) where: Base-Base interactions energy: -296.068 where: short stacking energy: -183.703 Base-Backbone interact. energy: 2.549 local terms energy: -340.267214 where: bonds (distance) C4'-P energy: -89.038 bonds (distance) P-C4' energy: -115.797 flat angles C4'-P-C4' energy: -80.247 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: 9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -474.084617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.084617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.084617 (E_RNA) where: Base-Base interactions energy: -141.121 where: short stacking energy: -122.259 Base-Backbone interact. energy: 5.008 local terms energy: -337.972351 where: bonds (distance) C4'-P energy: -111.323 bonds (distance) P-C4' energy: -114.646 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -53.740 tors. eta vs tors. theta energy: 31.424 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: 349 Temperature: 0.900000 Total energy: -2206.246730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.246730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.246730 (E_RNA) where: Base-Base interactions energy: -1506.726 where: short stacking energy: -615.220 Base-Backbone interact. energy: -2.665 local terms energy: -696.855193 where: bonds (distance) C4'-P energy: -127.779 bonds (distance) P-C4' energy: -127.921 flat angles C4'-P-C4' energy: -145.438 flat angles P-C4'-P energy: -108.604 tors. eta vs tors. theta energy: -187.113 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: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2151.956496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.956496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.956496 (E_RNA) where: Base-Base interactions energy: -1493.834 where: short stacking energy: -634.385 Base-Backbone interact. energy: -1.712 local terms energy: -656.411176 where: bonds (distance) C4'-P energy: -119.319 bonds (distance) P-C4' energy: -122.797 flat angles C4'-P-C4' energy: -139.694 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -177.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2135.052897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.052897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.052897 (E_RNA) where: Base-Base interactions energy: -1473.089 where: short stacking energy: -633.656 Base-Backbone interact. energy: -1.735 local terms energy: -660.228959 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -139.167 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -200.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1912.309905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.309905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.309905 (E_RNA) where: Base-Base interactions energy: -1296.700 where: short stacking energy: -553.463 Base-Backbone interact. energy: -0.907 local terms energy: -614.702753 where: bonds (distance) C4'-P energy: -116.142 bonds (distance) P-C4' energy: -114.168 flat angles C4'-P-C4' energy: -132.501 flat angles P-C4'-P energy: -92.645 tors. eta vs tors. theta energy: -159.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1780.184399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.184399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.184399 (E_RNA) where: Base-Base interactions energy: -1239.215 where: short stacking energy: -534.918 Base-Backbone interact. energy: -1.064 local terms energy: -539.905264 where: bonds (distance) C4'-P energy: -111.034 bonds (distance) P-C4' energy: -92.375 flat angles C4'-P-C4' energy: -115.998 flat angles P-C4'-P energy: -70.192 tors. eta vs tors. theta energy: -150.305 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: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1413.735204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.735204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.735204 (E_RNA) where: Base-Base interactions energy: -919.138 where: short stacking energy: -404.208 Base-Backbone interact. energy: -3.605 local terms energy: -490.992617 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -100.744 flat angles C4'-P-C4' energy: -115.888 flat angles P-C4'-P energy: -81.413 tors. eta vs tors. theta energy: -96.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1336.004636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.004636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.004636 (E_RNA) where: Base-Base interactions energy: -872.564 where: short stacking energy: -402.208 Base-Backbone interact. energy: -3.590 local terms energy: -459.850017 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -112.760 flat angles C4'-P-C4' energy: -109.861 flat angles P-C4'-P energy: -57.097 tors. eta vs tors. theta energy: -83.312 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: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -891.217467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.217467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.217467 (E_RNA) where: Base-Base interactions energy: -502.095 where: short stacking energy: -277.538 Base-Backbone interact. energy: -2.490 local terms energy: -386.632524 where: bonds (distance) C4'-P energy: -120.018 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -78.139 flat angles P-C4'-P energy: -49.127 tors. eta vs tors. theta energy: -26.135 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: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -662.451823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.451823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.451823 (E_RNA) where: Base-Base interactions energy: -299.019 where: short stacking energy: -199.214 Base-Backbone interact. energy: 2.648 local terms energy: -366.081390 where: bonds (distance) C4'-P energy: -109.658 bonds (distance) P-C4' energy: -100.572 flat angles C4'-P-C4' energy: -103.680 flat angles P-C4'-P energy: -49.851 tors. eta vs tors. theta energy: -2.320 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: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -485.224428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.224428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.224428 (E_RNA) where: Base-Base interactions energy: -175.012 where: short stacking energy: -157.794 Base-Backbone interact. energy: -1.526 local terms energy: -308.686007 where: bonds (distance) C4'-P energy: -91.138 bonds (distance) P-C4' energy: -112.572 flat angles C4'-P-C4' energy: -85.790 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: 31.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2190.630105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.630105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.630105 (E_RNA) where: Base-Base interactions energy: -1518.668 where: short stacking energy: -619.757 Base-Backbone interact. energy: -4.843 local terms energy: -667.119510 where: bonds (distance) C4'-P energy: -125.355 bonds (distance) P-C4' energy: -119.497 flat angles C4'-P-C4' energy: -136.849 flat angles P-C4'-P energy: -99.324 tors. eta vs tors. theta energy: -186.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2147.190676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.190676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.190676 (E_RNA) where: Base-Base interactions energy: -1464.700 where: short stacking energy: -607.804 Base-Backbone interact. energy: -4.230 local terms energy: -678.260779 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -125.891 flat angles C4'-P-C4' energy: -139.394 flat angles P-C4'-P energy: -98.516 tors. eta vs tors. theta energy: -179.883 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: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2121.860782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.860782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.860782 (E_RNA) where: Base-Base interactions energy: -1469.477 where: short stacking energy: -621.988 Base-Backbone interact. energy: -1.223 local terms energy: -651.160314 where: bonds (distance) C4'-P energy: -119.606 bonds (distance) P-C4' energy: -120.945 flat angles C4'-P-C4' energy: -140.117 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -194.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1929.457683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.457683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.457683 (E_RNA) where: Base-Base interactions energy: -1371.370 where: short stacking energy: -531.861 Base-Backbone interact. energy: -7.119 local terms energy: -550.968943 where: bonds (distance) C4'-P energy: -102.914 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -131.499 flat angles P-C4'-P energy: -77.057 tors. eta vs tors. theta energy: -147.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1745.841787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.841787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.841787 (E_RNA) where: Base-Base interactions energy: -1155.216 where: short stacking energy: -496.686 Base-Backbone interact. energy: -4.523 local terms energy: -586.102808 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -111.423 flat angles P-C4'-P energy: -79.304 tors. eta vs tors. theta energy: -138.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1441.370763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.370763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.370763 (E_RNA) where: Base-Base interactions energy: -956.911 where: short stacking energy: -407.218 Base-Backbone interact. energy: 1.534 local terms energy: -485.993043 where: bonds (distance) C4'-P energy: -95.422 bonds (distance) P-C4' energy: -116.418 flat angles C4'-P-C4' energy: -118.075 flat angles P-C4'-P energy: -68.645 tors. eta vs tors. theta energy: -87.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1311.100509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.100509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.100509 (E_RNA) where: Base-Base interactions energy: -833.116 where: short stacking energy: -384.247 Base-Backbone interact. energy: -1.740 local terms energy: -476.244384 where: bonds (distance) C4'-P energy: -95.276 bonds (distance) P-C4' energy: -111.051 flat angles C4'-P-C4' energy: -120.912 flat angles P-C4'-P energy: -61.726 tors. eta vs tors. theta energy: -87.279 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: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -876.547004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.547004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.547004 (E_RNA) where: Base-Base interactions energy: -486.055 where: short stacking energy: -242.973 Base-Backbone interact. energy: -2.437 local terms energy: -388.054575 where: bonds (distance) C4'-P energy: -101.236 bonds (distance) P-C4' energy: -100.951 flat angles C4'-P-C4' energy: -95.990 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -27.456 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: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -635.685081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.685081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.685081 (E_RNA) where: Base-Base interactions energy: -302.369 where: short stacking energy: -213.963 Base-Backbone interact. energy: 2.815 local terms energy: -336.131172 where: bonds (distance) C4'-P energy: -76.881 bonds (distance) P-C4' energy: -102.900 flat angles C4'-P-C4' energy: -93.321 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -510.744487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.744487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.744487 (E_RNA) where: Base-Base interactions energy: -196.875 where: short stacking energy: -155.540 Base-Backbone interact. energy: -1.862 local terms energy: -312.008006 where: bonds (distance) C4'-P energy: -97.566 bonds (distance) P-C4' energy: -97.365 flat angles C4'-P-C4' energy: -90.905 flat angles P-C4'-P energy: -58.262 tors. eta vs tors. theta energy: 32.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2213.205412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.205412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.205412 (E_RNA) where: Base-Base interactions energy: -1526.454 where: short stacking energy: -616.848 Base-Backbone interact. energy: -2.918 local terms energy: -683.834060 where: bonds (distance) C4'-P energy: -122.027 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -143.159 flat angles P-C4'-P energy: -108.628 tors. eta vs tors. theta energy: -182.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2169.130587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.130587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.130587 (E_RNA) where: Base-Base interactions energy: -1489.490 where: short stacking energy: -629.366 Base-Backbone interact. energy: -4.562 local terms energy: -675.078484 where: bonds (distance) C4'-P energy: -129.143 bonds (distance) P-C4' energy: -117.522 flat angles C4'-P-C4' energy: -145.311 flat angles P-C4'-P energy: -106.995 tors. eta vs tors. theta energy: -176.108 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: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2076.850075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.850075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.850075 (E_RNA) where: Base-Base interactions energy: -1433.825 where: short stacking energy: -635.219 Base-Backbone interact. energy: 0.096 local terms energy: -643.121320 where: bonds (distance) C4'-P energy: -116.660 bonds (distance) P-C4' energy: -109.421 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -93.832 tors. eta vs tors. theta energy: -184.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1937.638257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.638257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.638257 (E_RNA) where: Base-Base interactions energy: -1354.803 where: short stacking energy: -557.735 Base-Backbone interact. energy: -4.251 local terms energy: -578.584010 where: bonds (distance) C4'-P energy: -101.796 bonds (distance) P-C4' energy: -129.398 flat angles C4'-P-C4' energy: -125.689 flat angles P-C4'-P energy: -81.578 tors. eta vs tors. theta energy: -140.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1764.250331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.250331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.250331 (E_RNA) where: Base-Base interactions energy: -1207.697 where: short stacking energy: -511.273 Base-Backbone interact. energy: -1.516 local terms energy: -555.036896 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -107.725 flat angles C4'-P-C4' energy: -120.993 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -150.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1475.133104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.133104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.133104 (E_RNA) where: Base-Base interactions energy: -981.473 where: short stacking energy: -441.362 Base-Backbone interact. energy: -0.481 local terms energy: -493.179203 where: bonds (distance) C4'-P energy: -101.819 bonds (distance) P-C4' energy: -103.240 flat angles C4'-P-C4' energy: -121.656 flat angles P-C4'-P energy: -61.205 tors. eta vs tors. theta energy: -105.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1335.797955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.797955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.797955 (E_RNA) where: Base-Base interactions energy: -860.639 where: short stacking energy: -379.371 Base-Backbone interact. energy: 0.093 local terms energy: -475.252175 where: bonds (distance) C4'-P energy: -96.050 bonds (distance) P-C4' energy: -116.125 flat angles C4'-P-C4' energy: -110.378 flat angles P-C4'-P energy: -67.260 tors. eta vs tors. theta energy: -85.439 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: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -932.092971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.092971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.092971 (E_RNA) where: Base-Base interactions energy: -555.329 where: short stacking energy: -274.589 Base-Backbone interact. energy: -0.384 local terms energy: -376.380661 where: bonds (distance) C4'-P energy: -103.762 bonds (distance) P-C4' energy: -91.498 flat angles C4'-P-C4' energy: -85.288 flat angles P-C4'-P energy: -46.754 tors. eta vs tors. theta energy: -49.079 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: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -635.122898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.122898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.122898 (E_RNA) where: Base-Base interactions energy: -270.812 where: short stacking energy: -179.194 Base-Backbone interact. energy: -2.086 local terms energy: -362.224441 where: bonds (distance) C4'-P energy: -112.926 bonds (distance) P-C4' energy: -96.001 flat angles C4'-P-C4' energy: -101.529 flat angles P-C4'-P energy: -50.826 tors. eta vs tors. theta energy: -0.942 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -511.363199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.363199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.363199 (E_RNA) where: Base-Base interactions energy: -189.017 where: short stacking energy: -161.979 Base-Backbone interact. energy: -0.425 local terms energy: -321.921153 where: bonds (distance) C4'-P energy: -90.404 bonds (distance) P-C4' energy: -104.322 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -49.492 tors. eta vs tors. theta energy: 13.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2199.290203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.290203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.290203 (E_RNA) where: Base-Base interactions energy: -1536.512 where: short stacking energy: -621.050 Base-Backbone interact. energy: -5.263 local terms energy: -657.515572 where: bonds (distance) C4'-P energy: -115.417 bonds (distance) P-C4' energy: -117.951 flat angles C4'-P-C4' energy: -133.018 flat angles P-C4'-P energy: -105.744 tors. eta vs tors. theta energy: -185.386 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: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2132.968685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.968685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.968685 (E_RNA) where: Base-Base interactions energy: -1479.713 where: short stacking energy: -628.187 Base-Backbone interact. energy: -4.896 local terms energy: -648.359806 where: bonds (distance) C4'-P energy: -115.237 bonds (distance) P-C4' energy: -108.581 flat angles C4'-P-C4' energy: -147.564 flat angles P-C4'-P energy: -100.558 tors. eta vs tors. theta energy: -176.420 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: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2092.733678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.733678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.733678 (E_RNA) where: Base-Base interactions energy: -1427.541 where: short stacking energy: -620.702 Base-Backbone interact. energy: -1.308 local terms energy: -663.884256 where: bonds (distance) C4'-P energy: -126.373 bonds (distance) P-C4' energy: -115.919 flat angles C4'-P-C4' energy: -145.533 flat angles P-C4'-P energy: -93.364 tors. eta vs tors. theta energy: -182.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1901.500672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.500672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.500672 (E_RNA) where: Base-Base interactions energy: -1301.007 where: short stacking energy: -531.133 Base-Backbone interact. energy: 3.351 local terms energy: -603.845073 where: bonds (distance) C4'-P energy: -122.154 bonds (distance) P-C4' energy: -122.974 flat angles C4'-P-C4' energy: -132.451 flat angles P-C4'-P energy: -88.543 tors. eta vs tors. theta energy: -137.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1811.870354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.870354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.870354 (E_RNA) where: Base-Base interactions energy: -1192.033 where: short stacking energy: -539.177 Base-Backbone interact. energy: -2.392 local terms energy: -617.445964 where: bonds (distance) C4'-P energy: -117.182 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -139.260 flat angles P-C4'-P energy: -79.579 tors. eta vs tors. theta energy: -157.664 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: 6, replica: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1528.341977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.341977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.341977 (E_RNA) where: Base-Base interactions energy: -1015.969 where: short stacking energy: -477.969 Base-Backbone interact. energy: 0.628 local terms energy: -513.001041 where: bonds (distance) C4'-P energy: -90.427 bonds (distance) P-C4' energy: -98.081 flat angles C4'-P-C4' energy: -130.457 flat angles P-C4'-P energy: -70.189 tors. eta vs tors. theta energy: -123.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1316.510152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.510152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.510152 (E_RNA) where: Base-Base interactions energy: -870.504 where: short stacking energy: -368.763 Base-Backbone interact. energy: -0.275 local terms energy: -445.731444 where: bonds (distance) C4'-P energy: -112.241 bonds (distance) P-C4' energy: -113.922 flat angles C4'-P-C4' energy: -100.549 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -57.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -993.043364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.043364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.043364 (E_RNA) where: Base-Base interactions energy: -572.508 where: short stacking energy: -289.139 Base-Backbone interact. energy: 4.778 local terms energy: -425.313796 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -116.193 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -39.744 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: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -666.084465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.084465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.084465 (E_RNA) where: Base-Base interactions energy: -326.825 where: short stacking energy: -230.918 Base-Backbone interact. energy: -0.546 local terms energy: -338.712935 where: bonds (distance) C4'-P energy: -95.352 bonds (distance) P-C4' energy: -105.742 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -46.915 tors. eta vs tors. theta energy: -7.984 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: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -539.400252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.400252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.400252 (E_RNA) where: Base-Base interactions energy: -193.963 where: short stacking energy: -186.494 Base-Backbone interact. energy: 0.939 local terms energy: -346.376280 where: bonds (distance) C4'-P energy: -99.549 bonds (distance) P-C4' energy: -104.615 flat angles C4'-P-C4' energy: -92.091 flat angles P-C4'-P energy: -59.782 tors. eta vs tors. theta energy: 9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2199.473010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.473010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.473010 (E_RNA) where: Base-Base interactions energy: -1525.233 where: short stacking energy: -634.553 Base-Backbone interact. energy: -1.956 local terms energy: -672.283693 where: bonds (distance) C4'-P energy: -124.710 bonds (distance) P-C4' energy: -132.663 flat angles C4'-P-C4' energy: -147.181 flat angles P-C4'-P energy: -74.188 tors. eta vs tors. theta energy: -193.542 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2134.743473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.743473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.743473 (E_RNA) where: Base-Base interactions energy: -1469.736 where: short stacking energy: -605.507 Base-Backbone interact. energy: -5.014 local terms energy: -659.994145 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -117.029 flat angles C4'-P-C4' energy: -139.106 flat angles P-C4'-P energy: -101.323 tors. eta vs tors. theta energy: -178.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2092.296015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.296015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.296015 (E_RNA) where: Base-Base interactions energy: -1420.005 where: short stacking energy: -635.434 Base-Backbone interact. energy: -1.917 local terms energy: -670.374180 where: bonds (distance) C4'-P energy: -133.881 bonds (distance) P-C4' energy: -121.446 flat angles C4'-P-C4' energy: -140.126 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -186.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1938.833588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.833588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.833588 (E_RNA) where: Base-Base interactions energy: -1322.391 where: short stacking energy: -529.231 Base-Backbone interact. energy: -6.282 local terms energy: -610.159994 where: bonds (distance) C4'-P energy: -114.191 bonds (distance) P-C4' energy: -114.508 flat angles C4'-P-C4' energy: -144.310 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -146.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1811.987776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.987776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.987776 (E_RNA) where: Base-Base interactions energy: -1211.600 where: short stacking energy: -540.695 Base-Backbone interact. energy: -2.056 local terms energy: -598.331250 where: bonds (distance) C4'-P energy: -129.694 bonds (distance) P-C4' energy: -113.242 flat angles C4'-P-C4' energy: -125.279 flat angles P-C4'-P energy: -82.077 tors. eta vs tors. theta energy: -148.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1498.279716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.279716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.279716 (E_RNA) where: Base-Base interactions energy: -982.051 where: short stacking energy: -442.090 Base-Backbone interact. energy: -2.192 local terms energy: -514.036100 where: bonds (distance) C4'-P energy: -97.722 bonds (distance) P-C4' energy: -93.487 flat angles C4'-P-C4' energy: -120.874 flat angles P-C4'-P energy: -95.010 tors. eta vs tors. theta energy: -106.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1299.941855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.941855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.941855 (E_RNA) where: Base-Base interactions energy: -821.847 where: short stacking energy: -401.964 Base-Backbone interact. energy: -5.528 local terms energy: -472.566490 where: bonds (distance) C4'-P energy: -110.730 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -103.374 flat angles P-C4'-P energy: -62.180 tors. eta vs tors. theta energy: -78.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1070.340575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.340575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.340575 (E_RNA) where: Base-Base interactions energy: -631.289 where: short stacking energy: -318.370 Base-Backbone interact. energy: -0.348 local terms energy: -438.704503 where: bonds (distance) C4'-P energy: -95.538 bonds (distance) P-C4' energy: -114.593 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -78.076 tors. eta vs tors. theta energy: -49.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -687.529506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.529506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.529506 (E_RNA) where: Base-Base interactions energy: -309.480 where: short stacking energy: -185.962 Base-Backbone interact. energy: 4.835 local terms energy: -382.884718 where: bonds (distance) C4'-P energy: -100.841 bonds (distance) P-C4' energy: -123.833 flat angles C4'-P-C4' energy: -106.945 flat angles P-C4'-P energy: -53.041 tors. eta vs tors. theta energy: 1.776 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: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -475.481721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.481721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.481721 (E_RNA) where: Base-Base interactions energy: -164.679 where: short stacking energy: -120.856 Base-Backbone interact. energy: -0.684 local terms energy: -310.118063 where: bonds (distance) C4'-P energy: -102.247 bonds (distance) P-C4' energy: -108.305 flat angles C4'-P-C4' energy: -74.680 flat angles P-C4'-P energy: -51.012 tors. eta vs tors. theta energy: 26.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2207.389925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.389925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.389925 (E_RNA) where: Base-Base interactions energy: -1526.325 where: short stacking energy: -623.155 Base-Backbone interact. energy: -2.356 local terms energy: -678.709543 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -138.568 flat angles C4'-P-C4' energy: -143.083 flat angles P-C4'-P energy: -95.291 tors. eta vs tors. theta energy: -180.702 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: 354 Temperature: 0.950000 Total energy: -2198.812080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.812080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.812080 (E_RNA) where: Base-Base interactions energy: -1527.679 where: short stacking energy: -632.288 Base-Backbone interact. energy: -0.086 local terms energy: -671.046777 where: bonds (distance) C4'-P energy: -119.457 bonds (distance) P-C4' energy: -117.431 flat angles C4'-P-C4' energy: -142.763 flat angles P-C4'-P energy: -101.644 tors. eta vs tors. theta energy: -189.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2112.875841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.875841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.875841 (E_RNA) where: Base-Base interactions energy: -1437.250 where: short stacking energy: -661.662 Base-Backbone interact. energy: -1.558 local terms energy: -674.067396 where: bonds (distance) C4'-P energy: -116.436 bonds (distance) P-C4' energy: -126.484 flat angles C4'-P-C4' energy: -145.419 flat angles P-C4'-P energy: -91.583 tors. eta vs tors. theta energy: -194.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1906.148763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.148763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.148763 (E_RNA) where: Base-Base interactions energy: -1278.007 where: short stacking energy: -532.339 Base-Backbone interact. energy: -3.068 local terms energy: -625.073620 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -108.191 flat angles C4'-P-C4' energy: -143.660 flat angles P-C4'-P energy: -88.609 tors. eta vs tors. theta energy: -157.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1822.592351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.592351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.592351 (E_RNA) where: Base-Base interactions energy: -1237.056 where: short stacking energy: -530.111 Base-Backbone interact. energy: -2.335 local terms energy: -583.201698 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -127.517 flat angles P-C4'-P energy: -84.212 tors. eta vs tors. theta energy: -148.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1481.136224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.136224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.136224 (E_RNA) where: Base-Base interactions energy: -969.817 where: short stacking energy: -432.428 Base-Backbone interact. energy: -3.757 local terms energy: -507.561812 where: bonds (distance) C4'-P energy: -113.024 bonds (distance) P-C4' energy: -107.353 flat angles C4'-P-C4' energy: -110.989 flat angles P-C4'-P energy: -63.295 tors. eta vs tors. theta energy: -112.900 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: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1260.048992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.048992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.048992 (E_RNA) where: Base-Base interactions energy: -808.078 where: short stacking energy: -370.826 Base-Backbone interact. energy: -1.559 local terms energy: -450.412230 where: bonds (distance) C4'-P energy: -107.503 bonds (distance) P-C4' energy: -98.793 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -65.104 tors. eta vs tors. theta energy: -67.892 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: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1038.956008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.956008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.956008 (E_RNA) where: Base-Base interactions energy: -617.138 where: short stacking energy: -308.914 Base-Backbone interact. energy: -2.063 local terms energy: -419.754768 where: bonds (distance) C4'-P energy: -100.785 bonds (distance) P-C4' energy: -109.640 flat angles C4'-P-C4' energy: -103.545 flat angles P-C4'-P energy: -60.392 tors. eta vs tors. theta energy: -45.392 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: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -712.512555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.512555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.512555 (E_RNA) where: Base-Base interactions energy: -407.381 where: short stacking energy: -197.611 Base-Backbone interact. energy: 3.535 local terms energy: -308.666783 where: bonds (distance) C4'-P energy: -78.457 bonds (distance) P-C4' energy: -105.025 flat angles C4'-P-C4' energy: -83.773 flat angles P-C4'-P energy: -58.086 tors. eta vs tors. theta energy: 16.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -479.200395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.200395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.200395 (E_RNA) where: Base-Base interactions energy: -175.944 where: short stacking energy: -156.097 Base-Backbone interact. energy: -1.341 local terms energy: -301.916217 where: bonds (distance) C4'-P energy: -101.525 bonds (distance) P-C4' energy: -106.351 flat angles C4'-P-C4' energy: -78.594 flat angles P-C4'-P energy: -47.300 tors. eta vs tors. theta energy: 31.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2204.123709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.123709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.123709 (E_RNA) where: Base-Base interactions energy: -1522.771 where: short stacking energy: -647.784 Base-Backbone interact. energy: -6.829 local terms energy: -674.523832 where: bonds (distance) C4'-P energy: -113.395 bonds (distance) P-C4' energy: -133.643 flat angles C4'-P-C4' energy: -144.286 flat angles P-C4'-P energy: -101.236 tors. eta vs tors. theta energy: -181.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2170.781101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.781101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.781101 (E_RNA) where: Base-Base interactions energy: -1502.503 where: short stacking energy: -668.898 Base-Backbone interact. energy: -2.754 local terms energy: -665.523314 where: bonds (distance) C4'-P energy: -113.283 bonds (distance) P-C4' energy: -113.148 flat angles C4'-P-C4' energy: -136.282 flat angles P-C4'-P energy: -98.955 tors. eta vs tors. theta energy: -203.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2103.390656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.390656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.390656 (E_RNA) where: Base-Base interactions energy: -1471.425 where: short stacking energy: -587.968 Base-Backbone interact. energy: -0.510 local terms energy: -631.456262 where: bonds (distance) C4'-P energy: -113.410 bonds (distance) P-C4' energy: -119.229 flat angles C4'-P-C4' energy: -131.341 flat angles P-C4'-P energy: -88.833 tors. eta vs tors. theta energy: -178.643 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: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1923.982633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.982633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.982633 (E_RNA) where: Base-Base interactions energy: -1305.569 where: short stacking energy: -559.371 Base-Backbone interact. energy: -4.203 local terms energy: -614.211341 where: bonds (distance) C4'-P energy: -112.410 bonds (distance) P-C4' energy: -120.234 flat angles C4'-P-C4' energy: -138.868 flat angles P-C4'-P energy: -94.772 tors. eta vs tors. theta energy: -147.928 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: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1795.836816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.836816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.836816 (E_RNA) where: Base-Base interactions energy: -1226.142 where: short stacking energy: -528.359 Base-Backbone interact. energy: 3.719 local terms energy: -573.413637 where: bonds (distance) C4'-P energy: -116.892 bonds (distance) P-C4' energy: -110.376 flat angles C4'-P-C4' energy: -128.112 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: -155.473 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: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1507.972633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.972633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.972633 (E_RNA) where: Base-Base interactions energy: -963.685 where: short stacking energy: -453.193 Base-Backbone interact. energy: -1.187 local terms energy: -543.100700 where: bonds (distance) C4'-P energy: -101.041 bonds (distance) P-C4' energy: -122.241 flat angles C4'-P-C4' energy: -128.559 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -110.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1239.958003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.958003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.958003 (E_RNA) where: Base-Base interactions energy: -791.503 where: short stacking energy: -380.856 Base-Backbone interact. energy: -1.993 local terms energy: -446.461712 where: bonds (distance) C4'-P energy: -85.764 bonds (distance) P-C4' energy: -93.988 flat angles C4'-P-C4' energy: -99.043 flat angles P-C4'-P energy: -88.009 tors. eta vs tors. theta energy: -79.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -982.402966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.402966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.402966 (E_RNA) where: Base-Base interactions energy: -546.998 where: short stacking energy: -284.440 Base-Backbone interact. energy: -2.091 local terms energy: -433.313799 where: bonds (distance) C4'-P energy: -111.582 bonds (distance) P-C4' energy: -106.597 flat angles C4'-P-C4' energy: -103.087 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -41.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -689.003330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.003330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.003330 (E_RNA) where: Base-Base interactions energy: -344.952 where: short stacking energy: -219.089 Base-Backbone interact. energy: -2.531 local terms energy: -341.519506 where: bonds (distance) C4'-P energy: -99.564 bonds (distance) P-C4' energy: -114.196 flat angles C4'-P-C4' energy: -78.664 flat angles P-C4'-P energy: -41.973 tors. eta vs tors. theta energy: -7.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -513.231038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.231038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.231038 (E_RNA) where: Base-Base interactions energy: -181.083 where: short stacking energy: -148.274 Base-Backbone interact. energy: 3.087 local terms energy: -335.234536 where: bonds (distance) C4'-P energy: -102.519 bonds (distance) P-C4' energy: -112.170 flat angles C4'-P-C4' energy: -74.130 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: 5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2223.134768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.134768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.134768 (E_RNA) where: Base-Base interactions energy: -1537.143 where: short stacking energy: -676.883 Base-Backbone interact. energy: -2.498 local terms energy: -683.493661 where: bonds (distance) C4'-P energy: -116.720 bonds (distance) P-C4' energy: -130.293 flat angles C4'-P-C4' energy: -145.981 flat angles P-C4'-P energy: -95.806 tors. eta vs tors. theta energy: -194.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2150.429999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.429999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.429999 (E_RNA) where: Base-Base interactions energy: -1503.184 where: short stacking energy: -615.040 Base-Backbone interact. energy: -2.084 local terms energy: -645.161731 where: bonds (distance) C4'-P energy: -125.877 bonds (distance) P-C4' energy: -130.069 flat angles C4'-P-C4' energy: -138.470 flat angles P-C4'-P energy: -85.589 tors. eta vs tors. theta energy: -165.157 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: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2063.057230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.057230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.057230 (E_RNA) where: Base-Base interactions energy: -1426.470 where: short stacking energy: -621.205 Base-Backbone interact. energy: -1.910 local terms energy: -634.677287 where: bonds (distance) C4'-P energy: -115.148 bonds (distance) P-C4' energy: -118.794 flat angles C4'-P-C4' energy: -140.147 flat angles P-C4'-P energy: -83.366 tors. eta vs tors. theta energy: -177.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1959.027970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.027970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.027970 (E_RNA) where: Base-Base interactions energy: -1358.589 where: short stacking energy: -574.496 Base-Backbone interact. energy: 0.208 local terms energy: -600.646645 where: bonds (distance) C4'-P energy: -120.636 bonds (distance) P-C4' energy: -98.064 flat angles C4'-P-C4' energy: -141.028 flat angles P-C4'-P energy: -74.422 tors. eta vs tors. theta energy: -166.496 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: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1792.477035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.477035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.477035 (E_RNA) where: Base-Base interactions energy: -1226.046 where: short stacking energy: -516.881 Base-Backbone interact. energy: -1.680 local terms energy: -564.751047 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -112.916 flat angles C4'-P-C4' energy: -112.902 flat angles P-C4'-P energy: -95.426 tors. eta vs tors. theta energy: -139.029 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: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1511.384806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.384806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.384806 (E_RNA) where: Base-Base interactions energy: -986.678 where: short stacking energy: -436.801 Base-Backbone interact. energy: -0.372 local terms energy: -524.335028 where: bonds (distance) C4'-P energy: -102.063 bonds (distance) P-C4' energy: -111.881 flat angles C4'-P-C4' energy: -127.361 flat angles P-C4'-P energy: -76.407 tors. eta vs tors. theta energy: -106.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1251.757852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.757852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.757852 (E_RNA) where: Base-Base interactions energy: -800.351 where: short stacking energy: -390.144 Base-Backbone interact. energy: -1.361 local terms energy: -450.045664 where: bonds (distance) C4'-P energy: -85.889 bonds (distance) P-C4' energy: -117.896 flat angles C4'-P-C4' energy: -108.821 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -65.098 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: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1062.741534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.741534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.741534 (E_RNA) where: Base-Base interactions energy: -653.067 where: short stacking energy: -322.728 Base-Backbone interact. energy: -2.243 local terms energy: -407.431102 where: bonds (distance) C4'-P energy: -102.904 bonds (distance) P-C4' energy: -100.532 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -72.664 tors. eta vs tors. theta energy: -39.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -730.860597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.860597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.860597 (E_RNA) where: Base-Base interactions energy: -374.610 where: short stacking energy: -199.828 Base-Backbone interact. energy: -0.580 local terms energy: -355.670523 where: bonds (distance) C4'-P energy: -103.585 bonds (distance) P-C4' energy: -93.179 flat angles C4'-P-C4' energy: -106.729 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: 9.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -481.523486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.523486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.523486 (E_RNA) where: Base-Base interactions energy: -166.525 where: short stacking energy: -135.355 Base-Backbone interact. energy: 2.793 local terms energy: -317.791286 where: bonds (distance) C4'-P energy: -109.985 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -71.617 flat angles P-C4'-P energy: -52.509 tors. eta vs tors. theta energy: 26.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2193.641517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.641517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.641517 (E_RNA) where: Base-Base interactions energy: -1503.819 where: short stacking energy: -656.947 Base-Backbone interact. energy: -2.642 local terms energy: -687.179758 where: bonds (distance) C4'-P energy: -129.781 bonds (distance) P-C4' energy: -109.147 flat angles C4'-P-C4' energy: -145.444 flat angles P-C4'-P energy: -101.101 tors. eta vs tors. theta energy: -201.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2138.378260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.378260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.378260 (E_RNA) where: Base-Base interactions energy: -1484.381 where: short stacking energy: -621.206 Base-Backbone interact. energy: -4.569 local terms energy: -649.428038 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -124.013 flat angles C4'-P-C4' energy: -142.090 flat angles P-C4'-P energy: -90.955 tors. eta vs tors. theta energy: -174.966 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: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2060.256988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.256988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.256988 (E_RNA) where: Base-Base interactions energy: -1420.106 where: short stacking energy: -617.150 Base-Backbone interact. energy: -3.656 local terms energy: -636.494698 where: bonds (distance) C4'-P energy: -119.566 bonds (distance) P-C4' energy: -114.405 flat angles C4'-P-C4' energy: -127.023 flat angles P-C4'-P energy: -102.519 tors. eta vs tors. theta energy: -172.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1906.088758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.088758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.088758 (E_RNA) where: Base-Base interactions energy: -1318.417 where: short stacking energy: -563.616 Base-Backbone interact. energy: -3.856 local terms energy: -583.815220 where: bonds (distance) C4'-P energy: -102.462 bonds (distance) P-C4' energy: -112.484 flat angles C4'-P-C4' energy: -133.680 flat angles P-C4'-P energy: -84.869 tors. eta vs tors. theta energy: -150.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1749.414582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.414582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.414582 (E_RNA) where: Base-Base interactions energy: -1179.512 where: short stacking energy: -520.918 Base-Backbone interact. energy: -5.345 local terms energy: -564.557789 where: bonds (distance) C4'-P energy: -116.224 bonds (distance) P-C4' energy: -120.831 flat angles C4'-P-C4' energy: -116.351 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -137.440 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: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1513.092751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.092751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.092751 (E_RNA) where: Base-Base interactions energy: -991.310 where: short stacking energy: -435.231 Base-Backbone interact. energy: -0.756 local terms energy: -521.027540 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -115.562 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -104.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1315.180032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.180032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.180032 (E_RNA) where: Base-Base interactions energy: -871.005 where: short stacking energy: -404.310 Base-Backbone interact. energy: 0.548 local terms energy: -444.723628 where: bonds (distance) C4'-P energy: -90.476 bonds (distance) P-C4' energy: -104.246 flat angles C4'-P-C4' energy: -112.519 flat angles P-C4'-P energy: -64.770 tors. eta vs tors. theta energy: -72.711 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: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1047.649585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.649585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.649585 (E_RNA) where: Base-Base interactions energy: -622.390 where: short stacking energy: -292.453 Base-Backbone interact. energy: -1.277 local terms energy: -423.983161 where: bonds (distance) C4'-P energy: -113.229 bonds (distance) P-C4' energy: -101.153 flat angles C4'-P-C4' energy: -106.224 flat angles P-C4'-P energy: -55.700 tors. eta vs tors. theta energy: -47.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -722.454822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.454822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.454822 (E_RNA) where: Base-Base interactions energy: -348.269 where: short stacking energy: -187.211 Base-Backbone interact. energy: -1.904 local terms energy: -372.281663 where: bonds (distance) C4'-P energy: -121.634 bonds (distance) P-C4' energy: -110.954 flat angles C4'-P-C4' energy: -86.666 flat angles P-C4'-P energy: -55.217 tors. eta vs tors. theta energy: 2.189 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: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -504.645516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.645516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.645516 (E_RNA) where: Base-Base interactions energy: -177.624 where: short stacking energy: -145.114 Base-Backbone interact. energy: 4.268 local terms energy: -331.289658 where: bonds (distance) C4'-P energy: -97.920 bonds (distance) P-C4' energy: -113.437 flat angles C4'-P-C4' energy: -98.068 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: 18.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2213.232250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.232250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.232250 (E_RNA) where: Base-Base interactions energy: -1507.261 where: short stacking energy: -639.235 Base-Backbone interact. energy: -2.891 local terms energy: -703.080492 where: bonds (distance) C4'-P energy: -143.374 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -95.526 tors. eta vs tors. theta energy: -204.063 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: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2124.257351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.257351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.257351 (E_RNA) where: Base-Base interactions energy: -1486.158 where: short stacking energy: -622.144 Base-Backbone interact. energy: -2.475 local terms energy: -635.624314 where: bonds (distance) C4'-P energy: -121.081 bonds (distance) P-C4' energy: -110.304 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -83.393 tors. eta vs tors. theta energy: -178.605 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: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2088.914098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.914098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.914098 (E_RNA) where: Base-Base interactions energy: -1464.462 where: short stacking energy: -602.850 Base-Backbone interact. energy: -1.141 local terms energy: -623.311518 where: bonds (distance) C4'-P energy: -109.350 bonds (distance) P-C4' energy: -94.712 flat angles C4'-P-C4' energy: -144.607 flat angles P-C4'-P energy: -88.885 tors. eta vs tors. theta energy: -185.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1898.917652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.917652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.917652 (E_RNA) where: Base-Base interactions energy: -1282.799 where: short stacking energy: -545.769 Base-Backbone interact. energy: -3.087 local terms energy: -613.031750 where: bonds (distance) C4'-P energy: -108.233 bonds (distance) P-C4' energy: -121.925 flat angles C4'-P-C4' energy: -132.734 flat angles P-C4'-P energy: -99.719 tors. eta vs tors. theta energy: -150.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1771.924056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.924056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.924056 (E_RNA) where: Base-Base interactions energy: -1246.145 where: short stacking energy: -558.193 Base-Backbone interact. energy: -1.606 local terms energy: -524.172689 where: bonds (distance) C4'-P energy: -114.338 bonds (distance) P-C4' energy: -100.203 flat angles C4'-P-C4' energy: -104.230 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: -131.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1487.319668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.319668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.319668 (E_RNA) where: Base-Base interactions energy: -973.838 where: short stacking energy: -457.140 Base-Backbone interact. energy: -3.185 local terms energy: -510.296746 where: bonds (distance) C4'-P energy: -107.897 bonds (distance) P-C4' energy: -115.469 flat angles C4'-P-C4' energy: -112.488 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -104.977 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: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1253.442905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.442905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.442905 (E_RNA) where: Base-Base interactions energy: -804.137 where: short stacking energy: -366.311 Base-Backbone interact. energy: -0.125 local terms energy: -449.180956 where: bonds (distance) C4'-P energy: -93.310 bonds (distance) P-C4' energy: -105.590 flat angles C4'-P-C4' energy: -111.698 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -77.568 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: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1036.582854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.582854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.582854 (E_RNA) where: Base-Base interactions energy: -607.003 where: short stacking energy: -294.811 Base-Backbone interact. energy: 1.902 local terms energy: -431.482709 where: bonds (distance) C4'-P energy: -119.058 bonds (distance) P-C4' energy: -100.620 flat angles C4'-P-C4' energy: -103.932 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -53.867 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: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -750.849099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.849099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.849099 (E_RNA) where: Base-Base interactions energy: -385.248 where: short stacking energy: -216.486 Base-Backbone interact. energy: 4.500 local terms energy: -370.100986 where: bonds (distance) C4'-P energy: -94.084 bonds (distance) P-C4' energy: -101.937 flat angles C4'-P-C4' energy: -105.931 flat angles P-C4'-P energy: -58.179 tors. eta vs tors. theta energy: -9.970 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -532.063197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.063197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.063197 (E_RNA) where: Base-Base interactions energy: -215.409 where: short stacking energy: -185.585 Base-Backbone interact. energy: 0.432 local terms energy: -317.086674 where: bonds (distance) C4'-P energy: -89.413 bonds (distance) P-C4' energy: -87.520 flat angles C4'-P-C4' energy: -91.844 flat angles P-C4'-P energy: -54.091 tors. eta vs tors. theta energy: 5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2199.546882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.546882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.546882 (E_RNA) where: Base-Base interactions energy: -1504.575 where: short stacking energy: -686.165 Base-Backbone interact. energy: -1.930 local terms energy: -693.042691 where: bonds (distance) C4'-P energy: -120.319 bonds (distance) P-C4' energy: -109.182 flat angles C4'-P-C4' energy: -153.283 flat angles P-C4'-P energy: -105.479 tors. eta vs tors. theta energy: -204.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2193.065253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.065253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.065253 (E_RNA) where: Base-Base interactions energy: -1532.568 where: short stacking energy: -652.721 Base-Backbone interact. energy: 0.849 local terms energy: -661.345802 where: bonds (distance) C4'-P energy: -118.024 bonds (distance) P-C4' energy: -108.964 flat angles C4'-P-C4' energy: -147.974 flat angles P-C4'-P energy: -93.616 tors. eta vs tors. theta energy: -192.767 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: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2074.470612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.470612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.470612 (E_RNA) where: Base-Base interactions energy: -1470.684 where: short stacking energy: -605.261 Base-Backbone interact. energy: -2.806 local terms energy: -600.980340 where: bonds (distance) C4'-P energy: -99.613 bonds (distance) P-C4' energy: -116.853 flat angles C4'-P-C4' energy: -129.540 flat angles P-C4'-P energy: -86.539 tors. eta vs tors. theta energy: -168.435 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: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1928.330771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.330771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.330771 (E_RNA) where: Base-Base interactions energy: -1309.402 where: short stacking energy: -557.408 Base-Backbone interact. energy: 1.423 local terms energy: -620.351299 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -111.761 flat angles C4'-P-C4' energy: -134.344 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -158.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1777.250722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.250722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.250722 (E_RNA) where: Base-Base interactions energy: -1197.309 where: short stacking energy: -504.897 Base-Backbone interact. energy: -1.885 local terms energy: -578.056566 where: bonds (distance) C4'-P energy: -118.956 bonds (distance) P-C4' energy: -112.948 flat angles C4'-P-C4' energy: -125.205 flat angles P-C4'-P energy: -81.561 tors. eta vs tors. theta energy: -139.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1500.832278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.832278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.832278 (E_RNA) where: Base-Base interactions energy: -983.527 where: short stacking energy: -419.226 Base-Backbone interact. energy: -5.682 local terms energy: -511.624093 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -115.260 flat angles C4'-P-C4' energy: -120.316 flat angles P-C4'-P energy: -80.016 tors. eta vs tors. theta energy: -107.362 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: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1265.739071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.739071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.739071 (E_RNA) where: Base-Base interactions energy: -812.215 where: short stacking energy: -368.318 Base-Backbone interact. energy: 1.325 local terms energy: -454.848980 where: bonds (distance) C4'-P energy: -101.702 bonds (distance) P-C4' energy: -107.451 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -65.277 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: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -985.574755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.574755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.574755 (E_RNA) where: Base-Base interactions energy: -576.609 where: short stacking energy: -269.406 Base-Backbone interact. energy: -1.789 local terms energy: -407.177398 where: bonds (distance) C4'-P energy: -90.175 bonds (distance) P-C4' energy: -112.244 flat angles C4'-P-C4' energy: -103.088 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -41.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -783.006140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.006140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.006140 (E_RNA) where: Base-Base interactions energy: -403.760 where: short stacking energy: -220.632 Base-Backbone interact. energy: -1.637 local terms energy: -377.609556 where: bonds (distance) C4'-P energy: -103.440 bonds (distance) P-C4' energy: -106.253 flat angles C4'-P-C4' energy: -93.902 flat angles P-C4'-P energy: -56.655 tors. eta vs tors. theta energy: -17.360 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: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -498.574159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.574159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.574159 (E_RNA) where: Base-Base interactions energy: -175.958 where: short stacking energy: -124.166 Base-Backbone interact. energy: 0.825 local terms energy: -323.441246 where: bonds (distance) C4'-P energy: -113.259 bonds (distance) P-C4' energy: -97.853 flat angles C4'-P-C4' energy: -86.598 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: 11.631 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: 360 Temperature: 0.900000 Total energy: -2228.415470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.415470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.415470 (E_RNA) where: Base-Base interactions energy: -1523.980 where: short stacking energy: -631.799 Base-Backbone interact. energy: 0.538 local terms energy: -704.973314 where: bonds (distance) C4'-P energy: -125.986 bonds (distance) P-C4' energy: -140.622 flat angles C4'-P-C4' energy: -145.422 flat angles P-C4'-P energy: -93.913 tors. eta vs tors. theta energy: -199.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2153.706118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.706118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.706118 (E_RNA) where: Base-Base interactions energy: -1493.316 where: short stacking energy: -651.740 Base-Backbone interact. energy: -2.359 local terms energy: -658.031557 where: bonds (distance) C4'-P energy: -124.690 bonds (distance) P-C4' energy: -101.783 flat angles C4'-P-C4' energy: -141.700 flat angles P-C4'-P energy: -96.488 tors. eta vs tors. theta energy: -193.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2128.274137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.274137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.274137 (E_RNA) where: Base-Base interactions energy: -1480.244 where: short stacking energy: -629.861 Base-Backbone interact. energy: -4.384 local terms energy: -643.646946 where: bonds (distance) C4'-P energy: -116.923 bonds (distance) P-C4' energy: -112.950 flat angles C4'-P-C4' energy: -140.225 flat angles P-C4'-P energy: -92.126 tors. eta vs tors. theta energy: -181.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1963.637612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.637612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.637612 (E_RNA) where: Base-Base interactions energy: -1353.185 where: short stacking energy: -568.901 Base-Backbone interact. energy: -1.645 local terms energy: -608.806849 where: bonds (distance) C4'-P energy: -115.162 bonds (distance) P-C4' energy: -118.782 flat angles C4'-P-C4' energy: -132.258 flat angles P-C4'-P energy: -86.898 tors. eta vs tors. theta energy: -155.708 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: 360 Temperature: 1.100000 Total energy: -1808.967348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.967348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.967348 (E_RNA) where: Base-Base interactions energy: -1241.000 where: short stacking energy: -539.360 Base-Backbone interact. energy: -0.505 local terms energy: -567.462850 where: bonds (distance) C4'-P energy: -97.057 bonds (distance) P-C4' energy: -105.884 flat angles C4'-P-C4' energy: -135.611 flat angles P-C4'-P energy: -80.400 tors. eta vs tors. theta energy: -148.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1468.505723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.505723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.505723 (E_RNA) where: Base-Base interactions energy: -969.418 where: short stacking energy: -419.924 Base-Backbone interact. energy: 1.628 local terms energy: -500.715727 where: bonds (distance) C4'-P energy: -103.961 bonds (distance) P-C4' energy: -124.848 flat angles C4'-P-C4' energy: -112.741 flat angles P-C4'-P energy: -76.742 tors. eta vs tors. theta energy: -82.424 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: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1304.442821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.442821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.442821 (E_RNA) where: Base-Base interactions energy: -836.519 where: short stacking energy: -395.159 Base-Backbone interact. energy: -1.724 local terms energy: -466.200017 where: bonds (distance) C4'-P energy: -100.458 bonds (distance) P-C4' energy: -109.680 flat angles C4'-P-C4' energy: -103.087 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -71.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -931.350039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.350039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.350039 (E_RNA) where: Base-Base interactions energy: -522.771 where: short stacking energy: -243.981 Base-Backbone interact. energy: -3.961 local terms energy: -404.618224 where: bonds (distance) C4'-P energy: -96.300 bonds (distance) P-C4' energy: -107.767 flat angles C4'-P-C4' energy: -102.666 flat angles P-C4'-P energy: -83.465 tors. eta vs tors. theta energy: -14.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -817.444212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.444212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.444212 (E_RNA) where: Base-Base interactions energy: -409.013 where: short stacking energy: -218.225 Base-Backbone interact. energy: -1.587 local terms energy: -406.843562 where: bonds (distance) C4'-P energy: -97.178 bonds (distance) P-C4' energy: -103.822 flat angles C4'-P-C4' energy: -109.159 flat angles P-C4'-P energy: -67.166 tors. eta vs tors. theta energy: -29.519 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: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -484.872415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.872415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.872415 (E_RNA) where: Base-Base interactions energy: -182.065 where: short stacking energy: -154.712 Base-Backbone interact. energy: -1.343 local terms energy: -301.464006 where: bonds (distance) C4'-P energy: -103.843 bonds (distance) P-C4' energy: -99.482 flat angles C4'-P-C4' energy: -80.632 flat angles P-C4'-P energy: -32.468 tors. eta vs tors. theta energy: 14.961 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2216.416153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.416153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.416153 (E_RNA) where: Base-Base interactions energy: -1551.013 where: short stacking energy: -643.522 Base-Backbone interact. energy: -5.464 local terms energy: -659.938949 where: bonds (distance) C4'-P energy: -131.451 bonds (distance) P-C4' energy: -130.706 flat angles C4'-P-C4' energy: -130.652 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -189.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2163.914908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.914908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.914908 (E_RNA) where: Base-Base interactions energy: -1495.415 where: short stacking energy: -650.399 Base-Backbone interact. energy: -1.361 local terms energy: -667.139012 where: bonds (distance) C4'-P energy: -110.930 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -139.396 flat angles P-C4'-P energy: -96.785 tors. eta vs tors. theta energy: -197.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2106.137430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.137430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.137430 (E_RNA) where: Base-Base interactions energy: -1438.554 where: short stacking energy: -606.929 Base-Backbone interact. energy: -1.323 local terms energy: -666.260400 where: bonds (distance) C4'-P energy: -129.884 bonds (distance) P-C4' energy: -123.183 flat angles C4'-P-C4' energy: -141.678 flat angles P-C4'-P energy: -91.665 tors. eta vs tors. theta energy: -179.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1993.469345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.469345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.469345 (E_RNA) where: Base-Base interactions energy: -1366.544 where: short stacking energy: -554.754 Base-Backbone interact. energy: -3.160 local terms energy: -623.764818 where: bonds (distance) C4'-P energy: -113.916 bonds (distance) P-C4' energy: -120.132 flat angles C4'-P-C4' energy: -142.430 flat angles P-C4'-P energy: -85.794 tors. eta vs tors. theta energy: -161.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1848.336827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.336827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.336827 (E_RNA) where: Base-Base interactions energy: -1253.666 where: short stacking energy: -550.076 Base-Backbone interact. energy: -2.832 local terms energy: -591.839028 where: bonds (distance) C4'-P energy: -107.762 bonds (distance) P-C4' energy: -119.010 flat angles C4'-P-C4' energy: -130.549 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -156.712 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: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1492.090197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.090197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.090197 (E_RNA) where: Base-Base interactions energy: -986.361 where: short stacking energy: -429.110 Base-Backbone interact. energy: 0.809 local terms energy: -506.538017 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -115.861 flat angles C4'-P-C4' energy: -124.471 flat angles P-C4'-P energy: -64.014 tors. eta vs tors. theta energy: -101.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1226.309378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.309378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.309378 (E_RNA) where: Base-Base interactions energy: -761.352 where: short stacking energy: -364.540 Base-Backbone interact. energy: -4.024 local terms energy: -460.933425 where: bonds (distance) C4'-P energy: -103.669 bonds (distance) P-C4' energy: -114.143 flat angles C4'-P-C4' energy: -99.059 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -72.564 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: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -949.627969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.627969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.627969 (E_RNA) where: Base-Base interactions energy: -535.763 where: short stacking energy: -272.490 Base-Backbone interact. energy: -2.498 local terms energy: -411.366923 where: bonds (distance) C4'-P energy: -104.240 bonds (distance) P-C4' energy: -112.852 flat angles C4'-P-C4' energy: -102.352 flat angles P-C4'-P energy: -58.717 tors. eta vs tors. theta energy: -33.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -756.232594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.232594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.232594 (E_RNA) where: Base-Base interactions energy: -377.558 where: short stacking energy: -202.374 Base-Backbone interact. energy: -2.888 local terms energy: -375.786106 where: bonds (distance) C4'-P energy: -102.958 bonds (distance) P-C4' energy: -103.022 flat angles C4'-P-C4' energy: -95.651 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -8.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -497.662656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.662656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.662656 (E_RNA) where: Base-Base interactions energy: -133.608 where: short stacking energy: -118.172 Base-Backbone interact. energy: -0.299 local terms energy: -363.755915 where: bonds (distance) C4'-P energy: -94.387 bonds (distance) P-C4' energy: -109.836 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: 18.329 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: 1, replica: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2219.825711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.825711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.825711 (E_RNA) where: Base-Base interactions energy: -1539.678 where: short stacking energy: -634.903 Base-Backbone interact. energy: -3.011 local terms energy: -677.136974 where: bonds (distance) C4'-P energy: -124.053 bonds (distance) P-C4' energy: -130.595 flat angles C4'-P-C4' energy: -140.925 flat angles P-C4'-P energy: -92.843 tors. eta vs tors. theta energy: -188.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2123.865411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.865411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.865411 (E_RNA) where: Base-Base interactions energy: -1439.850 where: short stacking energy: -607.634 Base-Backbone interact. energy: -1.867 local terms energy: -682.147604 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -141.143 flat angles C4'-P-C4' energy: -124.875 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -193.026 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: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2091.086016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.086016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.086016 (E_RNA) where: Base-Base interactions energy: -1463.511 where: short stacking energy: -612.675 Base-Backbone interact. energy: -4.918 local terms energy: -622.656325 where: bonds (distance) C4'-P energy: -102.235 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -137.778 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -178.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1935.137732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.137732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.137732 (E_RNA) where: Base-Base interactions energy: -1320.112 where: short stacking energy: -547.390 Base-Backbone interact. energy: -4.328 local terms energy: -610.698257 where: bonds (distance) C4'-P energy: -120.427 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -136.439 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -148.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1763.872281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.872281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.872281 (E_RNA) where: Base-Base interactions energy: -1216.309 where: short stacking energy: -506.835 Base-Backbone interact. energy: -4.937 local terms energy: -542.626284 where: bonds (distance) C4'-P energy: -116.143 bonds (distance) P-C4' energy: -96.244 flat angles C4'-P-C4' energy: -97.878 flat angles P-C4'-P energy: -85.855 tors. eta vs tors. theta energy: -146.507 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: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1470.838827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.838827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.838827 (E_RNA) where: Base-Base interactions energy: -956.669 where: short stacking energy: -424.538 Base-Backbone interact. energy: -0.221 local terms energy: -513.949080 where: bonds (distance) C4'-P energy: -93.408 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -125.287 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: -105.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1283.995686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.995686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.995686 (E_RNA) where: Base-Base interactions energy: -826.862 where: short stacking energy: -353.608 Base-Backbone interact. energy: 3.238 local terms energy: -460.371894 where: bonds (distance) C4'-P energy: -101.538 bonds (distance) P-C4' energy: -101.014 flat angles C4'-P-C4' energy: -106.445 flat angles P-C4'-P energy: -65.720 tors. eta vs tors. theta energy: -85.655 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: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -962.972871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.972871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.972871 (E_RNA) where: Base-Base interactions energy: -581.007 where: short stacking energy: -294.932 Base-Backbone interact. energy: -3.114 local terms energy: -378.851650 where: bonds (distance) C4'-P energy: -93.358 bonds (distance) P-C4' energy: -111.130 flat angles C4'-P-C4' energy: -83.798 flat angles P-C4'-P energy: -67.334 tors. eta vs tors. theta energy: -23.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -708.691149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.691149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.691149 (E_RNA) where: Base-Base interactions energy: -361.452 where: short stacking energy: -213.273 Base-Backbone interact. energy: 1.465 local terms energy: -348.703986 where: bonds (distance) C4'-P energy: -84.062 bonds (distance) P-C4' energy: -94.654 flat angles C4'-P-C4' energy: -104.062 flat angles P-C4'-P energy: -70.946 tors. eta vs tors. theta energy: 5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -568.841216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.841216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.841216 (E_RNA) where: Base-Base interactions energy: -184.199 where: short stacking energy: -149.330 Base-Backbone interact. energy: 1.472 local terms energy: -386.114692 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -114.551 flat angles C4'-P-C4' energy: -89.786 flat angles P-C4'-P energy: -72.916 tors. eta vs tors. theta energy: 8.404 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: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2213.517430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.517430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.517430 (E_RNA) where: Base-Base interactions energy: -1498.309 where: short stacking energy: -643.450 Base-Backbone interact. energy: -0.522 local terms energy: -714.687034 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -135.457 flat angles C4'-P-C4' energy: -151.818 flat angles P-C4'-P energy: -99.984 tors. eta vs tors. theta energy: -200.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2157.916450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.916450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.916450 (E_RNA) where: Base-Base interactions energy: -1468.833 where: short stacking energy: -627.978 Base-Backbone interact. energy: -2.623 local terms energy: -686.459621 where: bonds (distance) C4'-P energy: -119.890 bonds (distance) P-C4' energy: -135.736 flat angles C4'-P-C4' energy: -143.264 flat angles P-C4'-P energy: -89.780 tors. eta vs tors. theta energy: -197.791 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: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2103.277653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.277653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.277653 (E_RNA) where: Base-Base interactions energy: -1433.942 where: short stacking energy: -621.528 Base-Backbone interact. energy: -5.785 local terms energy: -663.550734 where: bonds (distance) C4'-P energy: -129.798 bonds (distance) P-C4' energy: -131.116 flat angles C4'-P-C4' energy: -134.532 flat angles P-C4'-P energy: -80.192 tors. eta vs tors. theta energy: -187.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1899.809026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.809026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.809026 (E_RNA) where: Base-Base interactions energy: -1320.487 where: short stacking energy: -567.667 Base-Backbone interact. energy: -1.655 local terms energy: -577.667165 where: bonds (distance) C4'-P energy: -112.917 bonds (distance) P-C4' energy: -105.031 flat angles C4'-P-C4' energy: -131.201 flat angles P-C4'-P energy: -68.945 tors. eta vs tors. theta energy: -159.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1778.624691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.624691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.624691 (E_RNA) where: Base-Base interactions energy: -1188.456 where: short stacking energy: -523.327 Base-Backbone interact. energy: -3.235 local terms energy: -586.933363 where: bonds (distance) C4'-P energy: -110.918 bonds (distance) P-C4' energy: -111.193 flat angles C4'-P-C4' energy: -134.477 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -142.773 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: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1484.980066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.980066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.980066 (E_RNA) where: Base-Base interactions energy: -994.398 where: short stacking energy: -444.013 Base-Backbone interact. energy: 1.138 local terms energy: -491.719528 where: bonds (distance) C4'-P energy: -92.564 bonds (distance) P-C4' energy: -103.697 flat angles C4'-P-C4' energy: -128.810 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -98.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1231.057338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.057338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.057338 (E_RNA) where: Base-Base interactions energy: -775.660 where: short stacking energy: -379.666 Base-Backbone interact. energy: -0.961 local terms energy: -454.436200 where: bonds (distance) C4'-P energy: -100.989 bonds (distance) P-C4' energy: -101.855 flat angles C4'-P-C4' energy: -113.276 flat angles P-C4'-P energy: -73.670 tors. eta vs tors. theta energy: -64.646 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: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -909.498496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.498496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.498496 (E_RNA) where: Base-Base interactions energy: -495.689 where: short stacking energy: -277.664 Base-Backbone interact. energy: -1.341 local terms energy: -412.467807 where: bonds (distance) C4'-P energy: -94.479 bonds (distance) P-C4' energy: -99.807 flat angles C4'-P-C4' energy: -116.083 flat angles P-C4'-P energy: -74.303 tors. eta vs tors. theta energy: -27.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -720.381616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.381616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.381616 (E_RNA) where: Base-Base interactions energy: -360.352 where: short stacking energy: -231.238 Base-Backbone interact. energy: -3.509 local terms energy: -356.520179 where: bonds (distance) C4'-P energy: -109.189 bonds (distance) P-C4' energy: -101.082 flat angles C4'-P-C4' energy: -82.781 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -17.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -521.763645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.763645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.763645 (E_RNA) where: Base-Base interactions energy: -208.248 where: short stacking energy: -163.532 Base-Backbone interact. energy: -3.457 local terms energy: -310.059388 where: bonds (distance) C4'-P energy: -111.961 bonds (distance) P-C4' energy: -108.891 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -49.136 tors. eta vs tors. theta energy: 17.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2186.920442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.920442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.920442 (E_RNA) where: Base-Base interactions energy: -1484.606 where: short stacking energy: -649.902 Base-Backbone interact. energy: -1.243 local terms energy: -701.071703 where: bonds (distance) C4'-P energy: -132.244 bonds (distance) P-C4' energy: -132.858 flat angles C4'-P-C4' energy: -141.831 flat angles P-C4'-P energy: -100.823 tors. eta vs tors. theta energy: -193.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2163.371820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.371820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.371820 (E_RNA) where: Base-Base interactions energy: -1493.681 where: short stacking energy: -631.002 Base-Backbone interact. energy: -3.497 local terms energy: -666.193727 where: bonds (distance) C4'-P energy: -120.072 bonds (distance) P-C4' energy: -124.001 flat angles C4'-P-C4' energy: -145.266 flat angles P-C4'-P energy: -96.287 tors. eta vs tors. theta energy: -180.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2083.985645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.985645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.985645 (E_RNA) where: Base-Base interactions energy: -1440.785 where: short stacking energy: -589.608 Base-Backbone interact. energy: -3.754 local terms energy: -639.446644 where: bonds (distance) C4'-P energy: -120.678 bonds (distance) P-C4' energy: -113.124 flat angles C4'-P-C4' energy: -147.065 flat angles P-C4'-P energy: -85.137 tors. eta vs tors. theta energy: -173.443 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: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1895.529489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.529489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.529489 (E_RNA) where: Base-Base interactions energy: -1272.855 where: short stacking energy: -538.777 Base-Backbone interact. energy: -1.776 local terms energy: -620.898381 where: bonds (distance) C4'-P energy: -129.237 bonds (distance) P-C4' energy: -126.892 flat angles C4'-P-C4' energy: -126.845 flat angles P-C4'-P energy: -93.743 tors. eta vs tors. theta energy: -144.180 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: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1809.417094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.417094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.417094 (E_RNA) where: Base-Base interactions energy: -1223.352 where: short stacking energy: -547.015 Base-Backbone interact. energy: 1.534 local terms energy: -587.599067 where: bonds (distance) C4'-P energy: -97.419 bonds (distance) P-C4' energy: -116.296 flat angles C4'-P-C4' energy: -134.687 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -152.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1525.866539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.866539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.866539 (E_RNA) where: Base-Base interactions energy: -1013.047 where: short stacking energy: -423.003 Base-Backbone interact. energy: 5.255 local terms energy: -518.074731 where: bonds (distance) C4'-P energy: -100.569 bonds (distance) P-C4' energy: -123.745 flat angles C4'-P-C4' energy: -110.553 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -106.098 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: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1278.986102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.986102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.986102 (E_RNA) where: Base-Base interactions energy: -798.278 where: short stacking energy: -381.261 Base-Backbone interact. energy: -0.172 local terms energy: -480.535620 where: bonds (distance) C4'-P energy: -89.516 bonds (distance) P-C4' energy: -118.462 flat angles C4'-P-C4' energy: -118.237 flat angles P-C4'-P energy: -76.343 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: 8, replica: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -916.682689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.682689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.682689 (E_RNA) where: Base-Base interactions energy: -497.448 where: short stacking energy: -271.478 Base-Backbone interact. energy: 4.852 local terms energy: -424.086855 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -109.541 flat angles C4'-P-C4' energy: -108.520 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -40.883 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: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -706.969322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.969322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.969322 (E_RNA) where: Base-Base interactions energy: -353.377 where: short stacking energy: -188.254 Base-Backbone interact. energy: 3.407 local terms energy: -356.999465 where: bonds (distance) C4'-P energy: -87.616 bonds (distance) P-C4' energy: -109.354 flat angles C4'-P-C4' energy: -118.007 flat angles P-C4'-P energy: -65.856 tors. eta vs tors. theta energy: 23.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -491.116733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.116733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.116733 (E_RNA) where: Base-Base interactions energy: -180.585 where: short stacking energy: -131.920 Base-Backbone interact. energy: 2.658 local terms energy: -313.189401 where: bonds (distance) C4'-P energy: -95.448 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -56.321 tors. eta vs tors. theta energy: 23.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2212.655942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.655942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.655942 (E_RNA) where: Base-Base interactions energy: -1509.608 where: short stacking energy: -649.368 Base-Backbone interact. energy: -1.757 local terms energy: -701.290459 where: bonds (distance) C4'-P energy: -133.186 bonds (distance) P-C4' energy: -131.491 flat angles C4'-P-C4' energy: -150.055 flat angles P-C4'-P energy: -93.883 tors. eta vs tors. theta energy: -192.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2149.969919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.969919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.969919 (E_RNA) where: Base-Base interactions energy: -1490.247 where: short stacking energy: -607.426 Base-Backbone interact. energy: -0.179 local terms energy: -659.543865 where: bonds (distance) C4'-P energy: -120.734 bonds (distance) P-C4' energy: -128.149 flat angles C4'-P-C4' energy: -141.655 flat angles P-C4'-P energy: -85.162 tors. eta vs tors. theta energy: -183.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2092.043746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.043746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.043746 (E_RNA) where: Base-Base interactions energy: -1426.136 where: short stacking energy: -571.651 Base-Backbone interact. energy: -4.075 local terms energy: -661.832233 where: bonds (distance) C4'-P energy: -109.469 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -142.128 flat angles P-C4'-P energy: -105.494 tors. eta vs tors. theta energy: -168.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1851.879042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.879042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.879042 (E_RNA) where: Base-Base interactions energy: -1271.946 where: short stacking energy: -537.239 Base-Backbone interact. energy: -2.408 local terms energy: -577.525473 where: bonds (distance) C4'-P energy: -117.347 bonds (distance) P-C4' energy: -106.890 flat angles C4'-P-C4' energy: -121.109 flat angles P-C4'-P energy: -90.775 tors. eta vs tors. theta energy: -141.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1790.196086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.196086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.196086 (E_RNA) where: Base-Base interactions energy: -1215.837 where: short stacking energy: -521.251 Base-Backbone interact. energy: -1.702 local terms energy: -572.656723 where: bonds (distance) C4'-P energy: -105.473 bonds (distance) P-C4' energy: -110.094 flat angles C4'-P-C4' energy: -122.417 flat angles P-C4'-P energy: -88.343 tors. eta vs tors. theta energy: -146.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1491.174839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.174839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.174839 (E_RNA) where: Base-Base interactions energy: -993.552 where: short stacking energy: -416.519 Base-Backbone interact. energy: 4.222 local terms energy: -501.844448 where: bonds (distance) C4'-P energy: -103.718 bonds (distance) P-C4' energy: -104.009 flat angles C4'-P-C4' energy: -114.495 flat angles P-C4'-P energy: -81.877 tors. eta vs tors. theta energy: -97.745 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1306.821735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.821735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.821735 (E_RNA) where: Base-Base interactions energy: -814.149 where: short stacking energy: -351.641 Base-Backbone interact. energy: -5.009 local terms energy: -487.664099 where: bonds (distance) C4'-P energy: -121.838 bonds (distance) P-C4' energy: -117.646 flat angles C4'-P-C4' energy: -104.648 flat angles P-C4'-P energy: -56.077 tors. eta vs tors. theta energy: -87.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -929.462783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.462783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.462783 (E_RNA) where: Base-Base interactions energy: -526.578 where: short stacking energy: -287.498 Base-Backbone interact. energy: 2.350 local terms energy: -405.235192 where: bonds (distance) C4'-P energy: -96.150 bonds (distance) P-C4' energy: -95.145 flat angles C4'-P-C4' energy: -105.772 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -38.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -751.197055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.197055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.197055 (E_RNA) where: Base-Base interactions energy: -373.889 where: short stacking energy: -202.383 Base-Backbone interact. energy: -2.215 local terms energy: -375.093477 where: bonds (distance) C4'-P energy: -101.533 bonds (distance) P-C4' energy: -108.150 flat angles C4'-P-C4' energy: -103.461 flat angles P-C4'-P energy: -63.510 tors. eta vs tors. theta energy: 1.561 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: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -518.559296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.559296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.559296 (E_RNA) where: Base-Base interactions energy: -219.432 where: short stacking energy: -158.792 Base-Backbone interact. energy: 14.670 local terms energy: -313.797194 where: bonds (distance) C4'-P energy: -90.538 bonds (distance) P-C4' energy: -91.597 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -58.468 tors. eta vs tors. theta energy: 2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2204.039064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.039064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.039064 (E_RNA) where: Base-Base interactions energy: -1475.098 where: short stacking energy: -652.831 Base-Backbone interact. energy: -2.896 local terms energy: -726.045224 where: bonds (distance) C4'-P energy: -132.318 bonds (distance) P-C4' energy: -138.118 flat angles C4'-P-C4' energy: -151.561 flat angles P-C4'-P energy: -102.151 tors. eta vs tors. theta energy: -201.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2123.156018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.156018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.156018 (E_RNA) where: Base-Base interactions energy: -1473.803 where: short stacking energy: -621.128 Base-Backbone interact. energy: -3.148 local terms energy: -646.204846 where: bonds (distance) C4'-P energy: -117.001 bonds (distance) P-C4' energy: -123.130 flat angles C4'-P-C4' energy: -131.199 flat angles P-C4'-P energy: -86.348 tors. eta vs tors. theta energy: -188.527 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: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2079.997768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.997768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.997768 (E_RNA) where: Base-Base interactions energy: -1449.982 where: short stacking energy: -608.804 Base-Backbone interact. energy: -2.875 local terms energy: -627.140780 where: bonds (distance) C4'-P energy: -126.184 bonds (distance) P-C4' energy: -113.721 flat angles C4'-P-C4' energy: -131.626 flat angles P-C4'-P energy: -77.515 tors. eta vs tors. theta energy: -178.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1874.442977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.442977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.442977 (E_RNA) where: Base-Base interactions energy: -1302.594 where: short stacking energy: -528.433 Base-Backbone interact. energy: -1.484 local terms energy: -570.364508 where: bonds (distance) C4'-P energy: -100.201 bonds (distance) P-C4' energy: -121.264 flat angles C4'-P-C4' energy: -122.840 flat angles P-C4'-P energy: -85.796 tors. eta vs tors. theta energy: -140.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1816.212488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.212488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.212488 (E_RNA) where: Base-Base interactions energy: -1240.314 where: short stacking energy: -548.554 Base-Backbone interact. energy: -1.080 local terms energy: -574.818342 where: bonds (distance) C4'-P energy: -110.896 bonds (distance) P-C4' energy: -102.830 flat angles C4'-P-C4' energy: -118.959 flat angles P-C4'-P energy: -80.057 tors. eta vs tors. theta energy: -162.076 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: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1475.792895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.792895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.792895 (E_RNA) where: Base-Base interactions energy: -983.274 where: short stacking energy: -436.923 Base-Backbone interact. energy: -1.985 local terms energy: -490.534562 where: bonds (distance) C4'-P energy: -101.554 bonds (distance) P-C4' energy: -107.883 flat angles C4'-P-C4' energy: -113.980 flat angles P-C4'-P energy: -66.824 tors. eta vs tors. theta energy: -100.293 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1283.779138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.779138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.779138 (E_RNA) where: Base-Base interactions energy: -800.644 where: short stacking energy: -404.944 Base-Backbone interact. energy: 1.669 local terms energy: -484.803950 where: bonds (distance) C4'-P energy: -108.353 bonds (distance) P-C4' energy: -112.214 flat angles C4'-P-C4' energy: -114.477 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -81.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -893.448701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.448701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.448701 (E_RNA) where: Base-Base interactions energy: -479.950 where: short stacking energy: -288.769 Base-Backbone interact. energy: -1.010 local terms energy: -412.488444 where: bonds (distance) C4'-P energy: -104.907 bonds (distance) P-C4' energy: -87.763 flat angles C4'-P-C4' energy: -101.163 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -53.517 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: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -711.434755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.434755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.434755 (E_RNA) where: Base-Base interactions energy: -369.199 where: short stacking energy: -213.331 Base-Backbone interact. energy: 3.129 local terms energy: -345.364772 where: bonds (distance) C4'-P energy: -95.482 bonds (distance) P-C4' energy: -98.209 flat angles C4'-P-C4' energy: -85.111 flat angles P-C4'-P energy: -42.531 tors. eta vs tors. theta energy: -24.033 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: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -489.499787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.499787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.499787 (E_RNA) where: Base-Base interactions energy: -146.102 where: short stacking energy: -101.028 Base-Backbone interact. energy: 1.486 local terms energy: -344.883467 where: bonds (distance) C4'-P energy: -116.827 bonds (distance) P-C4' energy: -123.774 flat angles C4'-P-C4' energy: -101.305 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: 38.300 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: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2188.831017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.831017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.831017 (E_RNA) where: Base-Base interactions energy: -1498.939 where: short stacking energy: -660.854 Base-Backbone interact. energy: 0.736 local terms energy: -690.628880 where: bonds (distance) C4'-P energy: -115.420 bonds (distance) P-C4' energy: -129.752 flat angles C4'-P-C4' energy: -144.929 flat angles P-C4'-P energy: -102.328 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: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2131.781311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.781311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.781311 (E_RNA) where: Base-Base interactions energy: -1465.099 where: short stacking energy: -623.194 Base-Backbone interact. energy: -5.516 local terms energy: -661.166228 where: bonds (distance) C4'-P energy: -124.963 bonds (distance) P-C4' energy: -130.597 flat angles C4'-P-C4' energy: -132.065 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -181.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2102.508932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.508932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.508932 (E_RNA) where: Base-Base interactions energy: -1448.123 where: short stacking energy: -602.276 Base-Backbone interact. energy: -0.115 local terms energy: -654.271362 where: bonds (distance) C4'-P energy: -116.839 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -138.946 flat angles P-C4'-P energy: -98.580 tors. eta vs tors. theta energy: -183.869 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: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1843.373312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.373312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.373312 (E_RNA) where: Base-Base interactions energy: -1281.408 where: short stacking energy: -544.568 Base-Backbone interact. energy: -2.581 local terms energy: -559.384647 where: bonds (distance) C4'-P energy: -102.815 bonds (distance) P-C4' energy: -113.680 flat angles C4'-P-C4' energy: -122.393 flat angles P-C4'-P energy: -76.418 tors. eta vs tors. theta energy: -144.078 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: 367 Temperature: 1.100000 Total energy: -1774.610703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.610703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.610703 (E_RNA) where: Base-Base interactions energy: -1216.363 where: short stacking energy: -518.970 Base-Backbone interact. energy: -1.302 local terms energy: -556.945107 where: bonds (distance) C4'-P energy: -96.733 bonds (distance) P-C4' energy: -121.553 flat angles C4'-P-C4' energy: -133.023 flat angles P-C4'-P energy: -67.257 tors. eta vs tors. theta energy: -138.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1499.911075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.911075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.911075 (E_RNA) where: Base-Base interactions energy: -988.550 where: short stacking energy: -440.848 Base-Backbone interact. energy: -2.913 local terms energy: -508.448739 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -109.818 flat angles C4'-P-C4' energy: -127.659 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -95.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1257.527802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.527802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.527802 (E_RNA) where: Base-Base interactions energy: -762.859 where: short stacking energy: -353.936 Base-Backbone interact. energy: 4.276 local terms energy: -498.944711 where: bonds (distance) C4'-P energy: -119.387 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -115.962 flat angles P-C4'-P energy: -84.254 tors. eta vs tors. theta energy: -63.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -873.587248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.587248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.587248 (E_RNA) where: Base-Base interactions energy: -502.790 where: short stacking energy: -248.030 Base-Backbone interact. energy: 0.422 local terms energy: -371.220048 where: bonds (distance) C4'-P energy: -94.843 bonds (distance) P-C4' energy: -90.073 flat angles C4'-P-C4' energy: -104.350 flat angles P-C4'-P energy: -53.450 tors. eta vs tors. theta energy: -28.504 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: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -744.915764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.915764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.915764 (E_RNA) where: Base-Base interactions energy: -383.760 where: short stacking energy: -236.860 Base-Backbone interact. energy: -0.777 local terms energy: -360.378834 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -100.188 flat angles C4'-P-C4' energy: -87.250 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -494.773750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.773750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.773750 (E_RNA) where: Base-Base interactions energy: -176.174 where: short stacking energy: -128.595 Base-Backbone interact. energy: -0.457 local terms energy: -318.143281 where: bonds (distance) C4'-P energy: -84.335 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -104.883 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: 33.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2186.974272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.974272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.974272 (E_RNA) where: Base-Base interactions energy: -1484.812 where: short stacking energy: -646.229 Base-Backbone interact. energy: -2.430 local terms energy: -699.731985 where: bonds (distance) C4'-P energy: -130.251 bonds (distance) P-C4' energy: -118.369 flat angles C4'-P-C4' energy: -156.844 flat angles P-C4'-P energy: -92.779 tors. eta vs tors. theta energy: -201.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2120.610667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.610667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.610667 (E_RNA) where: Base-Base interactions energy: -1488.865 where: short stacking energy: -611.654 Base-Backbone interact. energy: -1.695 local terms energy: -630.050694 where: bonds (distance) C4'-P energy: -103.136 bonds (distance) P-C4' energy: -127.017 flat angles C4'-P-C4' energy: -131.023 flat angles P-C4'-P energy: -87.783 tors. eta vs tors. theta energy: -181.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2076.248017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.248017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.248017 (E_RNA) where: Base-Base interactions energy: -1406.194 where: short stacking energy: -591.441 Base-Backbone interact. energy: -3.625 local terms energy: -666.429855 where: bonds (distance) C4'-P energy: -131.855 bonds (distance) P-C4' energy: -117.202 flat angles C4'-P-C4' energy: -138.720 flat angles P-C4'-P energy: -100.952 tors. eta vs tors. theta energy: -177.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1835.875711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.875711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.875711 (E_RNA) where: Base-Base interactions energy: -1267.993 where: short stacking energy: -520.789 Base-Backbone interact. energy: -0.591 local terms energy: -567.291643 where: bonds (distance) C4'-P energy: -100.090 bonds (distance) P-C4' energy: -121.620 flat angles C4'-P-C4' energy: -136.248 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -125.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1796.265723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.265723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.265723 (E_RNA) where: Base-Base interactions energy: -1248.690 where: short stacking energy: -525.464 Base-Backbone interact. energy: -4.869 local terms energy: -542.707155 where: bonds (distance) C4'-P energy: -110.495 bonds (distance) P-C4' energy: -110.882 flat angles C4'-P-C4' energy: -121.467 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -132.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1490.096013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.096013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.096013 (E_RNA) where: Base-Base interactions energy: -975.903 where: short stacking energy: -468.368 Base-Backbone interact. energy: 0.560 local terms energy: -514.753887 where: bonds (distance) C4'-P energy: -114.652 bonds (distance) P-C4' energy: -108.999 flat angles C4'-P-C4' energy: -109.981 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -107.471 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: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1247.566447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.566447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.566447 (E_RNA) where: Base-Base interactions energy: -777.210 where: short stacking energy: -377.929 Base-Backbone interact. energy: -2.393 local terms energy: -467.963381 where: bonds (distance) C4'-P energy: -108.314 bonds (distance) P-C4' energy: -109.145 flat angles C4'-P-C4' energy: -97.640 flat angles P-C4'-P energy: -71.976 tors. eta vs tors. theta energy: -80.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -876.188574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.188574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.188574 (E_RNA) where: Base-Base interactions energy: -475.895 where: short stacking energy: -265.232 Base-Backbone interact. energy: -0.823 local terms energy: -399.470469 where: bonds (distance) C4'-P energy: -95.698 bonds (distance) P-C4' energy: -104.138 flat angles C4'-P-C4' energy: -110.483 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -20.683 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: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -741.675679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.675679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.675679 (E_RNA) where: Base-Base interactions energy: -372.582 where: short stacking energy: -217.302 Base-Backbone interact. energy: 3.312 local terms energy: -372.406063 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -96.417 flat angles P-C4'-P energy: -49.476 tors. eta vs tors. theta energy: -9.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -490.832479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.832479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.832479 (E_RNA) where: Base-Base interactions energy: -164.970 where: short stacking energy: -135.101 Base-Backbone interact. energy: 1.016 local terms energy: -326.878993 where: bonds (distance) C4'-P energy: -87.731 bonds (distance) P-C4' energy: -109.762 flat angles C4'-P-C4' energy: -75.510 flat angles P-C4'-P energy: -60.066 tors. eta vs tors. theta energy: 6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2188.391769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.391769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.391769 (E_RNA) where: Base-Base interactions energy: -1492.841 where: short stacking energy: -643.895 Base-Backbone interact. energy: -2.391 local terms energy: -693.159556 where: bonds (distance) C4'-P energy: -124.601 bonds (distance) P-C4' energy: -133.554 flat angles C4'-P-C4' energy: -141.331 flat angles P-C4'-P energy: -100.746 tors. eta vs tors. theta energy: -192.928 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: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2144.289263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.289263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.289263 (E_RNA) where: Base-Base interactions energy: -1466.609 where: short stacking energy: -606.010 Base-Backbone interact. energy: -4.095 local terms energy: -673.585525 where: bonds (distance) C4'-P energy: -117.301 bonds (distance) P-C4' energy: -129.294 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -103.657 tors. eta vs tors. theta energy: -178.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2070.225099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.225099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.225099 (E_RNA) where: Base-Base interactions energy: -1423.528 where: short stacking energy: -594.336 Base-Backbone interact. energy: 0.426 local terms energy: -647.123634 where: bonds (distance) C4'-P energy: -121.862 bonds (distance) P-C4' energy: -120.329 flat angles C4'-P-C4' energy: -141.232 flat angles P-C4'-P energy: -77.582 tors. eta vs tors. theta energy: -186.119 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: 369 Temperature: 1.050000 Total energy: -1860.766814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.766814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.766814 (E_RNA) where: Base-Base interactions energy: -1276.937 where: short stacking energy: -526.829 Base-Backbone interact. energy: -1.340 local terms energy: -582.490388 where: bonds (distance) C4'-P energy: -103.315 bonds (distance) P-C4' energy: -126.535 flat angles C4'-P-C4' energy: -127.383 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -134.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1782.950704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.950704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.950704 (E_RNA) where: Base-Base interactions energy: -1215.979 where: short stacking energy: -495.611 Base-Backbone interact. energy: -3.966 local terms energy: -563.006435 where: bonds (distance) C4'-P energy: -105.540 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -129.796 flat angles P-C4'-P energy: -102.336 tors. eta vs tors. theta energy: -111.494 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: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1478.356580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.356580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.356580 (E_RNA) where: Base-Base interactions energy: -988.410 where: short stacking energy: -440.542 Base-Backbone interact. energy: -0.978 local terms energy: -488.968592 where: bonds (distance) C4'-P energy: -103.223 bonds (distance) P-C4' energy: -107.526 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: -102.003 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: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1278.718229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.718229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.718229 (E_RNA) where: Base-Base interactions energy: -810.896 where: short stacking energy: -361.925 Base-Backbone interact. energy: -0.374 local terms energy: -467.448632 where: bonds (distance) C4'-P energy: -125.252 bonds (distance) P-C4' energy: -103.968 flat angles C4'-P-C4' energy: -95.432 flat angles P-C4'-P energy: -69.450 tors. eta vs tors. theta energy: -73.348 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: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -869.981710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.981710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.981710 (E_RNA) where: Base-Base interactions energy: -469.621 where: short stacking energy: -244.079 Base-Backbone interact. energy: 3.675 local terms energy: -404.034976 where: bonds (distance) C4'-P energy: -98.745 bonds (distance) P-C4' energy: -115.210 flat angles C4'-P-C4' energy: -102.765 flat angles P-C4'-P energy: -59.778 tors. eta vs tors. theta energy: -27.537 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -767.572600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.572600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.572600 (E_RNA) where: Base-Base interactions energy: -404.107 where: short stacking energy: -245.980 Base-Backbone interact. energy: -2.014 local terms energy: -361.451449 where: bonds (distance) C4'-P energy: -87.275 bonds (distance) P-C4' energy: -107.557 flat angles C4'-P-C4' energy: -95.208 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -19.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -529.270599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.270599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.270599 (E_RNA) where: Base-Base interactions energy: -201.801 where: short stacking energy: -172.440 Base-Backbone interact. energy: 5.259 local terms energy: -332.729191 where: bonds (distance) C4'-P energy: -90.664 bonds (distance) P-C4' energy: -96.019 flat angles C4'-P-C4' energy: -86.483 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: 1.671 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: 1, replica: 1 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2190.283078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.283078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.283078 (E_RNA) where: Base-Base interactions energy: -1517.453 where: short stacking energy: -649.636 Base-Backbone interact. energy: -4.306 local terms energy: -668.523695 where: bonds (distance) C4'-P energy: -122.702 bonds (distance) P-C4' energy: -118.259 flat angles C4'-P-C4' energy: -142.514 flat angles P-C4'-P energy: -99.451 tors. eta vs tors. theta energy: -185.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2158.767762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.767762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.767762 (E_RNA) where: Base-Base interactions energy: -1470.295 where: short stacking energy: -620.719 Base-Backbone interact. energy: 0.456 local terms energy: -688.928309 where: bonds (distance) C4'-P energy: -131.298 bonds (distance) P-C4' energy: -128.039 flat angles C4'-P-C4' energy: -137.018 flat angles P-C4'-P energy: -94.550 tors. eta vs tors. theta energy: -198.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2088.661370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.661370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.661370 (E_RNA) where: Base-Base interactions energy: -1452.262 where: short stacking energy: -610.793 Base-Backbone interact. energy: -1.592 local terms energy: -634.807291 where: bonds (distance) C4'-P energy: -104.324 bonds (distance) P-C4' energy: -124.538 flat angles C4'-P-C4' energy: -135.558 flat angles P-C4'-P energy: -85.719 tors. eta vs tors. theta energy: -184.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1881.996571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.996571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.996571 (E_RNA) where: Base-Base interactions energy: -1290.173 where: short stacking energy: -551.603 Base-Backbone interact. energy: -4.880 local terms energy: -586.943018 where: bonds (distance) C4'-P energy: -127.197 bonds (distance) P-C4' energy: -106.965 flat angles C4'-P-C4' energy: -128.632 flat angles P-C4'-P energy: -77.035 tors. eta vs tors. theta energy: -147.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1789.702519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.702519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.702519 (E_RNA) where: Base-Base interactions energy: -1222.792 where: short stacking energy: -515.088 Base-Backbone interact. energy: -2.059 local terms energy: -564.850760 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -118.044 flat angles C4'-P-C4' energy: -124.298 flat angles P-C4'-P energy: -87.925 tors. eta vs tors. theta energy: -127.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1513.206896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.206896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.206896 (E_RNA) where: Base-Base interactions energy: -981.532 where: short stacking energy: -432.083 Base-Backbone interact. energy: -4.144 local terms energy: -527.531061 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -106.057 flat angles C4'-P-C4' energy: -121.540 flat angles P-C4'-P energy: -74.310 tors. eta vs tors. theta energy: -109.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1289.772940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.772940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.772940 (E_RNA) where: Base-Base interactions energy: -830.766 where: short stacking energy: -409.486 Base-Backbone interact. energy: -2.960 local terms energy: -456.046644 where: bonds (distance) C4'-P energy: -90.626 bonds (distance) P-C4' energy: -112.627 flat angles C4'-P-C4' energy: -104.158 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -80.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -853.126840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.126840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.126840 (E_RNA) where: Base-Base interactions energy: -438.852 where: short stacking energy: -244.137 Base-Backbone interact. energy: -2.325 local terms energy: -411.949779 where: bonds (distance) C4'-P energy: -97.393 bonds (distance) P-C4' energy: -118.468 flat angles C4'-P-C4' energy: -101.328 flat angles P-C4'-P energy: -67.854 tors. eta vs tors. theta energy: -26.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -759.151720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.151720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.151720 (E_RNA) where: Base-Base interactions energy: -396.845 where: short stacking energy: -219.308 Base-Backbone interact. energy: -2.621 local terms energy: -359.685328 where: bonds (distance) C4'-P energy: -99.583 bonds (distance) P-C4' energy: -102.740 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -487.273449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.273449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.273449 (E_RNA) where: Base-Base interactions energy: -180.691 where: short stacking energy: -117.645 Base-Backbone interact. energy: -2.643 local terms energy: -303.940044 where: bonds (distance) C4'-P energy: -93.918 bonds (distance) P-C4' energy: -101.273 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -64.686 tors. eta vs tors. theta energy: 42.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2199.969545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.969545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.969545 (E_RNA) where: Base-Base interactions energy: -1531.287 where: short stacking energy: -633.947 Base-Backbone interact. energy: -1.958 local terms energy: -666.724791 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -119.943 flat angles C4'-P-C4' energy: -141.481 flat angles P-C4'-P energy: -96.499 tors. eta vs tors. theta energy: -182.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2142.286621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.286621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.286621 (E_RNA) where: Base-Base interactions energy: -1473.993 where: short stacking energy: -626.705 Base-Backbone interact. energy: -2.398 local terms energy: -665.895526 where: bonds (distance) C4'-P energy: -115.767 bonds (distance) P-C4' energy: -128.543 flat angles C4'-P-C4' energy: -146.246 flat angles P-C4'-P energy: -95.882 tors. eta vs tors. theta energy: -179.457 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: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2101.400888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.400888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.400888 (E_RNA) where: Base-Base interactions energy: -1437.036 where: short stacking energy: -595.467 Base-Backbone interact. energy: -4.221 local terms energy: -660.143679 where: bonds (distance) C4'-P energy: -124.741 bonds (distance) P-C4' energy: -120.026 flat angles C4'-P-C4' energy: -142.226 flat angles P-C4'-P energy: -93.280 tors. eta vs tors. theta energy: -179.871 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: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1901.632897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.632897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.632897 (E_RNA) where: Base-Base interactions energy: -1284.294 where: short stacking energy: -561.523 Base-Backbone interact. energy: -3.747 local terms energy: -613.591946 where: bonds (distance) C4'-P energy: -105.610 bonds (distance) P-C4' energy: -119.373 flat angles C4'-P-C4' energy: -143.809 flat angles P-C4'-P energy: -89.283 tors. eta vs tors. theta energy: -155.516 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: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1801.443097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.443097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.443097 (E_RNA) where: Base-Base interactions energy: -1233.883 where: short stacking energy: -524.493 Base-Backbone interact. energy: -2.397 local terms energy: -565.162990 where: bonds (distance) C4'-P energy: -118.086 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -121.501 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -118.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1541.007563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.007563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.007563 (E_RNA) where: Base-Base interactions energy: -1033.616 where: short stacking energy: -446.380 Base-Backbone interact. energy: -1.352 local terms energy: -506.039917 where: bonds (distance) C4'-P energy: -94.472 bonds (distance) P-C4' energy: -95.585 flat angles C4'-P-C4' energy: -114.237 flat angles P-C4'-P energy: -87.691 tors. eta vs tors. theta energy: -114.055 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: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1256.631638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.631638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.631638 (E_RNA) where: Base-Base interactions energy: -780.237 where: short stacking energy: -368.335 Base-Backbone interact. energy: -2.678 local terms energy: -473.716040 where: bonds (distance) C4'-P energy: -101.935 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -116.208 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: -75.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -792.433034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.433034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.433034 (E_RNA) where: Base-Base interactions energy: -382.805 where: short stacking energy: -225.802 Base-Backbone interact. energy: 2.955 local terms energy: -412.583575 where: bonds (distance) C4'-P energy: -117.930 bonds (distance) P-C4' energy: -114.475 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -24.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -725.907171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.907171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.907171 (E_RNA) where: Base-Base interactions energy: -353.926 where: short stacking energy: -201.352 Base-Backbone interact. energy: -0.718 local terms energy: -371.263004 where: bonds (distance) C4'-P energy: -95.864 bonds (distance) P-C4' energy: -116.745 flat angles C4'-P-C4' energy: -116.366 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: 3.441 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: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -491.251920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.251920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.251920 (E_RNA) where: Base-Base interactions energy: -230.075 where: short stacking energy: -150.948 Base-Backbone interact. energy: 2.691 local terms energy: -263.867733 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -88.856 flat angles C4'-P-C4' energy: -79.526 flat angles P-C4'-P energy: -36.609 tors. eta vs tors. theta energy: 21.502 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: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2198.004392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.004392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.004392 (E_RNA) where: Base-Base interactions energy: -1476.496 where: short stacking energy: -673.347 Base-Backbone interact. energy: 0.678 local terms energy: -722.185943 where: bonds (distance) C4'-P energy: -137.011 bonds (distance) P-C4' energy: -126.430 flat angles C4'-P-C4' energy: -148.785 flat angles P-C4'-P energy: -105.997 tors. eta vs tors. theta energy: -203.962 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: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2180.156128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.156128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.156128 (E_RNA) where: Base-Base interactions energy: -1511.829 where: short stacking energy: -651.147 Base-Backbone interact. energy: -1.585 local terms energy: -666.741649 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -118.844 flat angles C4'-P-C4' energy: -137.673 flat angles P-C4'-P energy: -91.695 tors. eta vs tors. theta energy: -190.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2097.156710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.156710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.156710 (E_RNA) where: Base-Base interactions energy: -1436.689 where: short stacking energy: -618.535 Base-Backbone interact. energy: -0.531 local terms energy: -659.937028 where: bonds (distance) C4'-P energy: -123.515 bonds (distance) P-C4' energy: -109.436 flat angles C4'-P-C4' energy: -147.461 flat angles P-C4'-P energy: -88.493 tors. eta vs tors. theta energy: -191.033 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: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1888.603547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.603547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.603547 (E_RNA) where: Base-Base interactions energy: -1275.049 where: short stacking energy: -580.388 Base-Backbone interact. energy: -0.796 local terms energy: -612.758884 where: bonds (distance) C4'-P energy: -102.424 bonds (distance) P-C4' energy: -114.266 flat angles C4'-P-C4' energy: -144.634 flat angles P-C4'-P energy: -86.493 tors. eta vs tors. theta energy: -164.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1758.457632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.457632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.457632 (E_RNA) where: Base-Base interactions energy: -1182.444 where: short stacking energy: -504.147 Base-Backbone interact. energy: 2.186 local terms energy: -578.199771 where: bonds (distance) C4'-P energy: -129.667 bonds (distance) P-C4' energy: -118.164 flat angles C4'-P-C4' energy: -132.895 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -119.852 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: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1542.815365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.815365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.815365 (E_RNA) where: Base-Base interactions energy: -1017.150 where: short stacking energy: -427.091 Base-Backbone interact. energy: -2.798 local terms energy: -522.867375 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -114.579 flat angles C4'-P-C4' energy: -116.399 flat angles P-C4'-P energy: -76.866 tors. eta vs tors. theta energy: -111.579 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: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1303.915607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.915607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.915607 (E_RNA) where: Base-Base interactions energy: -851.400 where: short stacking energy: -395.068 Base-Backbone interact. energy: 0.997 local terms energy: -453.512395 where: bonds (distance) C4'-P energy: -95.658 bonds (distance) P-C4' energy: -117.303 flat angles C4'-P-C4' energy: -99.371 flat angles P-C4'-P energy: -62.366 tors. eta vs tors. theta energy: -78.813 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: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -812.532797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.532797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.532797 (E_RNA) where: Base-Base interactions energy: -385.543 where: short stacking energy: -234.791 Base-Backbone interact. energy: 0.354 local terms energy: -427.344457 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -118.294 flat angles C4'-P-C4' energy: -90.730 flat angles P-C4'-P energy: -73.164 tors. eta vs tors. theta energy: -33.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -737.444445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.444445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.444445 (E_RNA) where: Base-Base interactions energy: -387.379 where: short stacking energy: -213.020 Base-Backbone interact. energy: 0.475 local terms energy: -350.540615 where: bonds (distance) C4'-P energy: -100.095 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -89.677 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: 0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -503.980438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.980438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.980438 (E_RNA) where: Base-Base interactions energy: -196.798 where: short stacking energy: -155.879 Base-Backbone interact. energy: -2.204 local terms energy: -304.978346 where: bonds (distance) C4'-P energy: -102.072 bonds (distance) P-C4' energy: -93.347 flat angles C4'-P-C4' energy: -82.710 flat angles P-C4'-P energy: -58.807 tors. eta vs tors. theta energy: 31.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2189.099073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.099073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.099073 (E_RNA) where: Base-Base interactions energy: -1488.202 where: short stacking energy: -653.201 Base-Backbone interact. energy: -3.654 local terms energy: -697.242536 where: bonds (distance) C4'-P energy: -120.245 bonds (distance) P-C4' energy: -134.745 flat angles C4'-P-C4' energy: -151.376 flat angles P-C4'-P energy: -93.445 tors. eta vs tors. theta energy: -197.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2167.902751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.902751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.902751 (E_RNA) where: Base-Base interactions energy: -1515.594 where: short stacking energy: -638.144 Base-Backbone interact. energy: 1.395 local terms energy: -653.703452 where: bonds (distance) C4'-P energy: -115.462 bonds (distance) P-C4' energy: -121.123 flat angles C4'-P-C4' energy: -138.513 flat angles P-C4'-P energy: -95.494 tors. eta vs tors. theta energy: -183.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2114.665688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.665688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.665688 (E_RNA) where: Base-Base interactions energy: -1460.058 where: short stacking energy: -613.255 Base-Backbone interact. energy: -1.430 local terms energy: -653.177492 where: bonds (distance) C4'-P energy: -107.555 bonds (distance) P-C4' energy: -125.030 flat angles C4'-P-C4' energy: -138.431 flat angles P-C4'-P energy: -91.630 tors. eta vs tors. theta energy: -190.531 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: 373 Temperature: 1.050000 Total energy: -1863.155661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.155661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.155661 (E_RNA) where: Base-Base interactions energy: -1251.078 where: short stacking energy: -559.253 Base-Backbone interact. energy: -1.634 local terms energy: -610.443286 where: bonds (distance) C4'-P energy: -123.143 bonds (distance) P-C4' energy: -125.028 flat angles C4'-P-C4' energy: -131.318 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -150.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1787.083535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.083535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.083535 (E_RNA) where: Base-Base interactions energy: -1211.352 where: short stacking energy: -546.910 Base-Backbone interact. energy: -5.220 local terms energy: -570.511281 where: bonds (distance) C4'-P energy: -116.664 bonds (distance) P-C4' energy: -103.025 flat angles C4'-P-C4' energy: -125.178 flat angles P-C4'-P energy: -75.734 tors. eta vs tors. theta energy: -149.909 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: 6, replica: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1426.956084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.956084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.956084 (E_RNA) where: Base-Base interactions energy: -917.176 where: short stacking energy: -426.682 Base-Backbone interact. energy: -1.593 local terms energy: -508.186856 where: bonds (distance) C4'-P energy: -97.348 bonds (distance) P-C4' energy: -116.048 flat angles C4'-P-C4' energy: -124.803 flat angles P-C4'-P energy: -74.637 tors. eta vs tors. theta energy: -95.350 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1230.184722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.184722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.184722 (E_RNA) where: Base-Base interactions energy: -777.435 where: short stacking energy: -360.685 Base-Backbone interact. energy: 0.860 local terms energy: -453.609292 where: bonds (distance) C4'-P energy: -93.821 bonds (distance) P-C4' energy: -115.080 flat angles C4'-P-C4' energy: -110.330 flat angles P-C4'-P energy: -59.076 tors. eta vs tors. theta energy: -75.301 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: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -796.757449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.757449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.757449 (E_RNA) where: Base-Base interactions energy: -401.338 where: short stacking energy: -244.495 Base-Backbone interact. energy: -0.011 local terms energy: -395.407839 where: bonds (distance) C4'-P energy: -110.438 bonds (distance) P-C4' energy: -114.539 flat angles C4'-P-C4' energy: -100.465 flat angles P-C4'-P energy: -38.511 tors. eta vs tors. theta energy: -31.454 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: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -713.966286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.966286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.966286 (E_RNA) where: Base-Base interactions energy: -345.720 where: short stacking energy: -190.330 Base-Backbone interact. energy: -0.829 local terms energy: -367.417616 where: bonds (distance) C4'-P energy: -95.583 bonds (distance) P-C4' energy: -129.410 flat angles C4'-P-C4' energy: -85.596 flat angles P-C4'-P energy: -56.115 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -503.120687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.120687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.120687 (E_RNA) where: Base-Base interactions energy: -181.157 where: short stacking energy: -137.196 Base-Backbone interact. energy: 4.661 local terms energy: -326.624619 where: bonds (distance) C4'-P energy: -92.438 bonds (distance) P-C4' energy: -121.781 flat angles C4'-P-C4' energy: -78.103 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: 23.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2231.953433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.953433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.953433 (E_RNA) where: Base-Base interactions energy: -1533.479 where: short stacking energy: -650.169 Base-Backbone interact. energy: -2.783 local terms energy: -695.691130 where: bonds (distance) C4'-P energy: -130.717 bonds (distance) P-C4' energy: -119.493 flat angles C4'-P-C4' energy: -141.392 flat angles P-C4'-P energy: -111.706 tors. eta vs tors. theta energy: -192.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2156.708746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.708746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.708746 (E_RNA) where: Base-Base interactions energy: -1487.753 where: short stacking energy: -623.680 Base-Backbone interact. energy: -5.429 local terms energy: -663.527328 where: bonds (distance) C4'-P energy: -113.865 bonds (distance) P-C4' energy: -126.368 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -102.285 tors. eta vs tors. theta energy: -177.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2111.727479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.727479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.727479 (E_RNA) where: Base-Base interactions energy: -1468.607 where: short stacking energy: -619.709 Base-Backbone interact. energy: -0.386 local terms energy: -642.734987 where: bonds (distance) C4'-P energy: -120.048 bonds (distance) P-C4' energy: -117.641 flat angles C4'-P-C4' energy: -136.659 flat angles P-C4'-P energy: -89.324 tors. eta vs tors. theta energy: -179.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1905.415385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.415385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.415385 (E_RNA) where: Base-Base interactions energy: -1291.115 where: short stacking energy: -567.790 Base-Backbone interact. energy: -0.514 local terms energy: -613.787037 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -123.272 flat angles C4'-P-C4' energy: -132.149 flat angles P-C4'-P energy: -89.216 tors. eta vs tors. theta energy: -160.753 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: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1733.877573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.877573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.877573 (E_RNA) where: Base-Base interactions energy: -1152.915 where: short stacking energy: -499.841 Base-Backbone interact. energy: -3.584 local terms energy: -577.378324 where: bonds (distance) C4'-P energy: -109.014 bonds (distance) P-C4' energy: -120.508 flat angles C4'-P-C4' energy: -114.820 flat angles P-C4'-P energy: -87.482 tors. eta vs tors. theta energy: -145.555 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: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1462.978380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.978380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.978380 (E_RNA) where: Base-Base interactions energy: -969.626 where: short stacking energy: -440.659 Base-Backbone interact. energy: 7.013 local terms energy: -500.365319 where: bonds (distance) C4'-P energy: -99.669 bonds (distance) P-C4' energy: -104.669 flat angles C4'-P-C4' energy: -117.228 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -106.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1278.747342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.747342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.747342 (E_RNA) where: Base-Base interactions energy: -807.820 where: short stacking energy: -368.929 Base-Backbone interact. energy: -0.036 local terms energy: -470.890890 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -101.169 flat angles C4'-P-C4' energy: -101.811 flat angles P-C4'-P energy: -84.847 tors. eta vs tors. theta energy: -80.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -800.439744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.439744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.439744 (E_RNA) where: Base-Base interactions energy: -398.865 where: short stacking energy: -253.515 Base-Backbone interact. energy: 2.472 local terms energy: -404.046957 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -126.385 flat angles C4'-P-C4' energy: -97.133 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: -18.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -694.557519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.557519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.557519 (E_RNA) where: Base-Base interactions energy: -342.663 where: short stacking energy: -196.112 Base-Backbone interact. energy: -1.416 local terms energy: -350.478053 where: bonds (distance) C4'-P energy: -106.395 bonds (distance) P-C4' energy: -107.793 flat angles C4'-P-C4' energy: -82.892 flat angles P-C4'-P energy: -68.243 tors. eta vs tors. theta energy: 14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -505.323538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.323538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.323538 (E_RNA) where: Base-Base interactions energy: -162.470 where: short stacking energy: -149.815 Base-Backbone interact. energy: -1.571 local terms energy: -341.283157 where: bonds (distance) C4'-P energy: -111.860 bonds (distance) P-C4' energy: -100.849 flat angles C4'-P-C4' energy: -80.962 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: 16.424 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: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2227.533767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.533767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.533767 (E_RNA) where: Base-Base interactions energy: -1548.785 where: short stacking energy: -650.753 Base-Backbone interact. energy: -3.575 local terms energy: -675.173910 where: bonds (distance) C4'-P energy: -120.576 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -145.503 flat angles P-C4'-P energy: -97.475 tors. eta vs tors. theta energy: -186.259 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: 375 Temperature: 0.950000 Total energy: -2135.478517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.478517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.478517 (E_RNA) where: Base-Base interactions energy: -1490.198 where: short stacking energy: -646.141 Base-Backbone interact. energy: -0.251 local terms energy: -645.030293 where: bonds (distance) C4'-P energy: -112.252 bonds (distance) P-C4' energy: -121.426 flat angles C4'-P-C4' energy: -142.940 flat angles P-C4'-P energy: -84.552 tors. eta vs tors. theta energy: -183.860 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: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2102.955538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.955538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.955538 (E_RNA) where: Base-Base interactions energy: -1471.101 where: short stacking energy: -624.530 Base-Backbone interact. energy: -2.645 local terms energy: -629.209305 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -104.480 flat angles C4'-P-C4' energy: -131.702 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -188.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1837.354111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.354111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.354111 (E_RNA) where: Base-Base interactions energy: -1259.313 where: short stacking energy: -552.959 Base-Backbone interact. energy: -1.831 local terms energy: -576.210007 where: bonds (distance) C4'-P energy: -110.831 bonds (distance) P-C4' energy: -111.125 flat angles C4'-P-C4' energy: -130.632 flat angles P-C4'-P energy: -77.957 tors. eta vs tors. theta energy: -145.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1786.276370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.276370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.276370 (E_RNA) where: Base-Base interactions energy: -1229.918 where: short stacking energy: -525.454 Base-Backbone interact. energy: -1.018 local terms energy: -555.340182 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -106.475 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -88.657 tors. eta vs tors. theta energy: -139.729 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: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1492.128133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.128133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.128133 (E_RNA) where: Base-Base interactions energy: -971.460 where: short stacking energy: -437.862 Base-Backbone interact. energy: 1.586 local terms energy: -522.253563 where: bonds (distance) C4'-P energy: -106.043 bonds (distance) P-C4' energy: -105.424 flat angles C4'-P-C4' energy: -121.116 flat angles P-C4'-P energy: -80.313 tors. eta vs tors. theta energy: -109.358 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1300.396391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.396391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.396391 (E_RNA) where: Base-Base interactions energy: -827.983 where: short stacking energy: -376.828 Base-Backbone interact. energy: -2.303 local terms energy: -470.110633 where: bonds (distance) C4'-P energy: -125.281 bonds (distance) P-C4' energy: -84.915 flat angles C4'-P-C4' energy: -107.564 flat angles P-C4'-P energy: -78.291 tors. eta vs tors. theta energy: -74.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -812.508612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.508612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.508612 (E_RNA) where: Base-Base interactions energy: -413.674 where: short stacking energy: -238.298 Base-Backbone interact. energy: -3.954 local terms energy: -394.880516 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -107.866 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -65.110 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: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -693.848929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.848929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.848929 (E_RNA) where: Base-Base interactions energy: -340.338 where: short stacking energy: -205.694 Base-Backbone interact. energy: -1.675 local terms energy: -351.835826 where: bonds (distance) C4'-P energy: -108.565 bonds (distance) P-C4' energy: -100.880 flat angles C4'-P-C4' energy: -88.978 flat angles P-C4'-P energy: -48.017 tors. eta vs tors. theta energy: -5.397 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: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -559.257833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.257833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.257833 (E_RNA) where: Base-Base interactions energy: -238.969 where: short stacking energy: -173.482 Base-Backbone interact. energy: 3.095 local terms energy: -323.383875 where: bonds (distance) C4'-P energy: -86.444 bonds (distance) P-C4' energy: -92.222 flat angles C4'-P-C4' energy: -105.897 flat angles P-C4'-P energy: -42.239 tors. eta vs tors. theta energy: 3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2215.443080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.443080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.443080 (E_RNA) where: Base-Base interactions energy: -1507.874 where: short stacking energy: -644.230 Base-Backbone interact. energy: -0.661 local terms energy: -706.907298 where: bonds (distance) C4'-P energy: -122.839 bonds (distance) P-C4' energy: -140.018 flat angles C4'-P-C4' energy: -151.446 flat angles P-C4'-P energy: -92.042 tors. eta vs tors. theta energy: -200.562 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: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2132.055750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.055750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.055750 (E_RNA) where: Base-Base interactions energy: -1465.703 where: short stacking energy: -619.553 Base-Backbone interact. energy: -1.594 local terms energy: -664.758756 where: bonds (distance) C4'-P energy: -132.879 bonds (distance) P-C4' energy: -121.365 flat angles C4'-P-C4' energy: -146.026 flat angles P-C4'-P energy: -77.456 tors. eta vs tors. theta energy: -187.033 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: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2095.529280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.529280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.529280 (E_RNA) where: Base-Base interactions energy: -1463.277 where: short stacking energy: -595.288 Base-Backbone interact. energy: 0.321 local terms energy: -632.573113 where: bonds (distance) C4'-P energy: -119.857 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -135.312 flat angles P-C4'-P energy: -90.083 tors. eta vs tors. theta energy: -176.436 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: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1834.322603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.322603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.322603 (E_RNA) where: Base-Base interactions energy: -1249.661 where: short stacking energy: -536.395 Base-Backbone interact. energy: 0.597 local terms energy: -585.258486 where: bonds (distance) C4'-P energy: -116.522 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -89.159 tors. eta vs tors. theta energy: -147.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1805.426989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.426989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.426989 (E_RNA) where: Base-Base interactions energy: -1196.906 where: short stacking energy: -500.690 Base-Backbone interact. energy: -5.374 local terms energy: -603.146774 where: bonds (distance) C4'-P energy: -125.219 bonds (distance) P-C4' energy: -133.295 flat angles C4'-P-C4' energy: -132.312 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -139.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1486.813989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.813989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.813989 (E_RNA) where: Base-Base interactions energy: -957.272 where: short stacking energy: -451.683 Base-Backbone interact. energy: 3.835 local terms energy: -533.376407 where: bonds (distance) C4'-P energy: -109.219 bonds (distance) P-C4' energy: -117.950 flat angles C4'-P-C4' energy: -136.426 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -104.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1380.584263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.584263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.584263 (E_RNA) where: Base-Base interactions energy: -882.442 where: short stacking energy: -375.544 Base-Backbone interact. energy: -5.606 local terms energy: -492.535966 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -130.755 flat angles P-C4'-P energy: -68.869 tors. eta vs tors. theta energy: -75.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -787.845931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.845931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.845931 (E_RNA) where: Base-Base interactions energy: -406.139 where: short stacking energy: -222.104 Base-Backbone interact. energy: 3.532 local terms energy: -385.239183 where: bonds (distance) C4'-P energy: -108.761 bonds (distance) P-C4' energy: -112.426 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -59.536 tors. eta vs tors. theta energy: -1.777 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: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -590.519987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.519987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.519987 (E_RNA) where: Base-Base interactions energy: -222.793 where: short stacking energy: -169.652 Base-Backbone interact. energy: 0.738 local terms energy: -368.465472 where: bonds (distance) C4'-P energy: -98.951 bonds (distance) P-C4' energy: -119.193 flat angles C4'-P-C4' energy: -99.103 flat angles P-C4'-P energy: -67.547 tors. eta vs tors. theta energy: 16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -673.416167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.416167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.416167 (E_RNA) where: Base-Base interactions energy: -313.932 where: short stacking energy: -170.314 Base-Backbone interact. energy: 1.689 local terms energy: -361.173290 where: bonds (distance) C4'-P energy: -111.163 bonds (distance) P-C4' energy: -119.384 flat angles C4'-P-C4' energy: -88.108 flat angles P-C4'-P energy: -51.981 tors. eta vs tors. theta energy: 9.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2205.144875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.144875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.144875 (E_RNA) where: Base-Base interactions energy: -1517.113 where: short stacking energy: -641.537 Base-Backbone interact. energy: -3.604 local terms energy: -684.428119 where: bonds (distance) C4'-P energy: -125.973 bonds (distance) P-C4' energy: -115.152 flat angles C4'-P-C4' energy: -150.082 flat angles P-C4'-P energy: -99.818 tors. eta vs tors. theta energy: -193.402 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: 377 Temperature: 0.950000 Total energy: -2104.556777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.556777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.556777 (E_RNA) where: Base-Base interactions energy: -1471.846 where: short stacking energy: -609.377 Base-Backbone interact. energy: -1.693 local terms energy: -631.017743 where: bonds (distance) C4'-P energy: -129.347 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -138.881 flat angles P-C4'-P energy: -92.106 tors. eta vs tors. theta energy: -168.209 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: 377 Temperature: 1.000000 Total energy: -2073.423779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.423779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.423779 (E_RNA) where: Base-Base interactions energy: -1425.172 where: short stacking energy: -601.868 Base-Backbone interact. energy: -0.552 local terms energy: -647.700108 where: bonds (distance) C4'-P energy: -124.528 bonds (distance) P-C4' energy: -113.733 flat angles C4'-P-C4' energy: -146.633 flat angles P-C4'-P energy: -83.971 tors. eta vs tors. theta energy: -178.836 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: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1880.636132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.636132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.636132 (E_RNA) where: Base-Base interactions energy: -1274.924 where: short stacking energy: -558.765 Base-Backbone interact. energy: -6.688 local terms energy: -599.024394 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -120.957 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: -151.489 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: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1701.164210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.164210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.164210 (E_RNA) where: Base-Base interactions energy: -1149.857 where: short stacking energy: -501.705 Base-Backbone interact. energy: -4.344 local terms energy: -546.962837 where: bonds (distance) C4'-P energy: -111.203 bonds (distance) P-C4' energy: -118.893 flat angles C4'-P-C4' energy: -123.332 flat angles P-C4'-P energy: -72.186 tors. eta vs tors. theta energy: -121.349 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: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1487.398149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.398149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.398149 (E_RNA) where: Base-Base interactions energy: -977.292 where: short stacking energy: -425.834 Base-Backbone interact. energy: 4.993 local terms energy: -515.099295 where: bonds (distance) C4'-P energy: -101.772 bonds (distance) P-C4' energy: -122.307 flat angles C4'-P-C4' energy: -113.584 flat angles P-C4'-P energy: -71.006 tors. eta vs tors. theta energy: -106.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1389.062792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.062792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.062792 (E_RNA) where: Base-Base interactions energy: -909.295 where: short stacking energy: -417.192 Base-Backbone interact. energy: -0.330 local terms energy: -479.437746 where: bonds (distance) C4'-P energy: -101.832 bonds (distance) P-C4' energy: -111.822 flat angles C4'-P-C4' energy: -108.201 flat angles P-C4'-P energy: -66.210 tors. eta vs tors. theta energy: -91.373 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: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -838.405505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.405505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.405505 (E_RNA) where: Base-Base interactions energy: -445.694 where: short stacking energy: -262.662 Base-Backbone interact. energy: 4.052 local terms energy: -396.763604 where: bonds (distance) C4'-P energy: -100.437 bonds (distance) P-C4' energy: -117.112 flat angles C4'-P-C4' energy: -95.156 flat angles P-C4'-P energy: -51.184 tors. eta vs tors. theta energy: -32.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -600.329020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.329020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.329020 (E_RNA) where: Base-Base interactions energy: -218.778 where: short stacking energy: -150.622 Base-Backbone interact. energy: 7.269 local terms energy: -388.820134 where: bonds (distance) C4'-P energy: -108.188 bonds (distance) P-C4' energy: -116.227 flat angles C4'-P-C4' energy: -106.259 flat angles P-C4'-P energy: -64.495 tors. eta vs tors. theta energy: 6.349 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: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -671.172383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.172383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.172383 (E_RNA) where: Base-Base interactions energy: -314.141 where: short stacking energy: -165.717 Base-Backbone interact. energy: 6.349 local terms energy: -363.380088 where: bonds (distance) C4'-P energy: -101.057 bonds (distance) P-C4' energy: -109.725 flat angles C4'-P-C4' energy: -97.502 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: 12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2211.959231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.959231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.959231 (E_RNA) where: Base-Base interactions energy: -1530.432 where: short stacking energy: -668.681 Base-Backbone interact. energy: 3.519 local terms energy: -685.045894 where: bonds (distance) C4'-P energy: -127.190 bonds (distance) P-C4' energy: -117.433 flat angles C4'-P-C4' energy: -150.426 flat angles P-C4'-P energy: -94.416 tors. eta vs tors. theta energy: -195.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2122.708926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.708926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.708926 (E_RNA) where: Base-Base interactions energy: -1488.426 where: short stacking energy: -643.188 Base-Backbone interact. energy: 3.079 local terms energy: -637.361973 where: bonds (distance) C4'-P energy: -122.217 bonds (distance) P-C4' energy: -111.536 flat angles C4'-P-C4' energy: -127.802 flat angles P-C4'-P energy: -94.080 tors. eta vs tors. theta energy: -181.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2059.722583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.722583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.722583 (E_RNA) where: Base-Base interactions energy: -1408.522 where: short stacking energy: -598.931 Base-Backbone interact. energy: 5.942 local terms energy: -657.143023 where: bonds (distance) C4'-P energy: -123.726 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -140.958 flat angles P-C4'-P energy: -95.877 tors. eta vs tors. theta energy: -171.533 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: 378 Temperature: 1.050000 Total energy: -1876.810966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.810966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.810966 (E_RNA) where: Base-Base interactions energy: -1267.699 where: short stacking energy: -559.902 Base-Backbone interact. energy: 0.180 local terms energy: -609.291999 where: bonds (distance) C4'-P energy: -118.834 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -133.776 flat angles P-C4'-P energy: -93.042 tors. eta vs tors. theta energy: -140.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1760.591484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.591484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.591484 (E_RNA) where: Base-Base interactions energy: -1200.074 where: short stacking energy: -487.894 Base-Backbone interact. energy: -1.410 local terms energy: -559.107208 where: bonds (distance) C4'-P energy: -117.545 bonds (distance) P-C4' energy: -101.146 flat angles C4'-P-C4' energy: -135.545 flat angles P-C4'-P energy: -82.302 tors. eta vs tors. theta energy: -122.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1481.453767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.453767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.453767 (E_RNA) where: Base-Base interactions energy: -983.091 where: short stacking energy: -440.721 Base-Backbone interact. energy: -0.005 local terms energy: -498.357718 where: bonds (distance) C4'-P energy: -111.918 bonds (distance) P-C4' energy: -110.813 flat angles C4'-P-C4' energy: -109.558 flat angles P-C4'-P energy: -68.483 tors. eta vs tors. theta energy: -97.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1324.268732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.268732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.268732 (E_RNA) where: Base-Base interactions energy: -862.201 where: short stacking energy: -382.107 Base-Backbone interact. energy: -3.354 local terms energy: -458.714268 where: bonds (distance) C4'-P energy: -113.453 bonds (distance) P-C4' energy: -92.115 flat angles C4'-P-C4' energy: -105.844 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -67.388 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: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -847.584313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.584313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.584313 (E_RNA) where: Base-Base interactions energy: -458.532 where: short stacking energy: -284.444 Base-Backbone interact. energy: -2.482 local terms energy: -386.569976 where: bonds (distance) C4'-P energy: -89.334 bonds (distance) P-C4' energy: -90.309 flat angles C4'-P-C4' energy: -115.907 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: -24.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -754.772829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.772829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.772829 (E_RNA) where: Base-Base interactions energy: -367.582 where: short stacking energy: -209.110 Base-Backbone interact. energy: -3.483 local terms energy: -383.707826 where: bonds (distance) C4'-P energy: -99.222 bonds (distance) P-C4' energy: -107.057 flat angles C4'-P-C4' energy: -109.575 flat angles P-C4'-P energy: -57.721 tors. eta vs tors. theta energy: -10.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -538.323138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.323138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.323138 (E_RNA) where: Base-Base interactions energy: -203.245 where: short stacking energy: -132.515 Base-Backbone interact. energy: -0.399 local terms energy: -334.678529 where: bonds (distance) C4'-P energy: -88.254 bonds (distance) P-C4' energy: -100.533 flat angles C4'-P-C4' energy: -112.850 flat angles P-C4'-P energy: -56.150 tors. eta vs tors. theta energy: 23.109 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: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2205.925159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.925159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.925159 (E_RNA) where: Base-Base interactions energy: -1529.068 where: short stacking energy: -652.391 Base-Backbone interact. energy: -1.604 local terms energy: -675.253169 where: bonds (distance) C4'-P energy: -118.013 bonds (distance) P-C4' energy: -125.709 flat angles C4'-P-C4' energy: -149.440 flat angles P-C4'-P energy: -101.729 tors. eta vs tors. theta energy: -180.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2111.198374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.198374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.198374 (E_RNA) where: Base-Base interactions energy: -1459.041 where: short stacking energy: -631.921 Base-Backbone interact. energy: 3.805 local terms energy: -655.962569 where: bonds (distance) C4'-P energy: -125.441 bonds (distance) P-C4' energy: -113.019 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -100.148 tors. eta vs tors. theta energy: -178.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2058.222795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.222795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.222795 (E_RNA) where: Base-Base interactions energy: -1400.298 where: short stacking energy: -609.299 Base-Backbone interact. energy: -4.029 local terms energy: -653.896231 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -128.299 flat angles C4'-P-C4' energy: -140.623 flat angles P-C4'-P energy: -91.207 tors. eta vs tors. theta energy: -185.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1742.658566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.658566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.658566 (E_RNA) where: Base-Base interactions energy: -1177.276 where: short stacking energy: -495.165 Base-Backbone interact. energy: -1.247 local terms energy: -564.135472 where: bonds (distance) C4'-P energy: -105.956 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -128.445 flat angles P-C4'-P energy: -74.655 tors. eta vs tors. theta energy: -129.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1771.321089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.321089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.321089 (E_RNA) where: Base-Base interactions energy: -1201.821 where: short stacking energy: -505.074 Base-Backbone interact. energy: -4.860 local terms energy: -564.639776 where: bonds (distance) C4'-P energy: -112.404 bonds (distance) P-C4' energy: -119.111 flat angles C4'-P-C4' energy: -119.920 flat angles P-C4'-P energy: -80.824 tors. eta vs tors. theta energy: -132.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1500.855961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.855961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.855961 (E_RNA) where: Base-Base interactions energy: -986.130 where: short stacking energy: -435.315 Base-Backbone interact. energy: 5.765 local terms energy: -520.491124 where: bonds (distance) C4'-P energy: -105.472 bonds (distance) P-C4' energy: -102.025 flat angles C4'-P-C4' energy: -121.192 flat angles P-C4'-P energy: -80.237 tors. eta vs tors. theta energy: -111.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1278.966249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.966249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.966249 (E_RNA) where: Base-Base interactions energy: -832.400 where: short stacking energy: -352.196 Base-Backbone interact. energy: -0.035 local terms energy: -446.530939 where: bonds (distance) C4'-P energy: -103.322 bonds (distance) P-C4' energy: -121.589 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -59.202 tors. eta vs tors. theta energy: -55.893 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: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -851.491755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.491755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.491755 (E_RNA) where: Base-Base interactions energy: -451.094 where: short stacking energy: -239.596 Base-Backbone interact. energy: -2.864 local terms energy: -397.533247 where: bonds (distance) C4'-P energy: -97.630 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -111.580 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -814.027953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.027953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.027953 (E_RNA) where: Base-Base interactions energy: -457.560 where: short stacking energy: -255.050 Base-Backbone interact. energy: 1.605 local terms energy: -358.073306 where: bonds (distance) C4'-P energy: -91.847 bonds (distance) P-C4' energy: -110.623 flat angles C4'-P-C4' energy: -98.201 flat angles P-C4'-P energy: -35.777 tors. eta vs tors. theta energy: -21.626 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: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -566.440214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.440214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.440214 (E_RNA) where: Base-Base interactions energy: -226.834 where: short stacking energy: -168.162 Base-Backbone interact. energy: -2.314 local terms energy: -337.291902 where: bonds (distance) C4'-P energy: -105.183 bonds (distance) P-C4' energy: -82.820 flat angles C4'-P-C4' energy: -108.428 flat angles P-C4'-P energy: -48.204 tors. eta vs tors. theta energy: 7.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2222.385941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.385941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.385941 (E_RNA) where: Base-Base interactions energy: -1517.573 where: short stacking energy: -644.008 Base-Backbone interact. energy: -0.427 local terms energy: -704.386351 where: bonds (distance) C4'-P energy: -125.358 bonds (distance) P-C4' energy: -133.894 flat angles C4'-P-C4' energy: -140.406 flat angles P-C4'-P energy: -106.564 tors. eta vs tors. theta energy: -198.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2109.212299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.212299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.212299 (E_RNA) where: Base-Base interactions energy: -1447.655 where: short stacking energy: -616.803 Base-Backbone interact. energy: -3.195 local terms energy: -658.362896 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -144.810 flat angles P-C4'-P energy: -82.956 tors. eta vs tors. theta energy: -174.701 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: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2054.434663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.434663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.434663 (E_RNA) where: Base-Base interactions energy: -1399.700 where: short stacking energy: -599.986 Base-Backbone interact. energy: -4.573 local terms energy: -650.161477 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -130.159 flat angles C4'-P-C4' energy: -136.487 flat angles P-C4'-P energy: -88.342 tors. eta vs tors. theta energy: -174.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1783.864267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.864267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.864267 (E_RNA) where: Base-Base interactions energy: -1209.583 where: short stacking energy: -516.756 Base-Backbone interact. energy: -4.023 local terms energy: -570.258479 where: bonds (distance) C4'-P energy: -102.774 bonds (distance) P-C4' energy: -120.332 flat angles C4'-P-C4' energy: -124.397 flat angles P-C4'-P energy: -86.668 tors. eta vs tors. theta energy: -136.087 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: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1793.111449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.111449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.111449 (E_RNA) where: Base-Base interactions energy: -1228.398 where: short stacking energy: -537.449 Base-Backbone interact. energy: -3.397 local terms energy: -561.316522 where: bonds (distance) C4'-P energy: -100.933 bonds (distance) P-C4' energy: -108.682 flat angles C4'-P-C4' energy: -127.002 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -141.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1496.570414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.570414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.570414 (E_RNA) where: Base-Base interactions energy: -958.820 where: short stacking energy: -439.381 Base-Backbone interact. energy: 1.546 local terms energy: -539.296519 where: bonds (distance) C4'-P energy: -115.564 bonds (distance) P-C4' energy: -110.630 flat angles C4'-P-C4' energy: -116.749 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -117.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1203.351327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.351327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.351327 (E_RNA) where: Base-Base interactions energy: -752.421 where: short stacking energy: -362.953 Base-Backbone interact. energy: -3.535 local terms energy: -447.394975 where: bonds (distance) C4'-P energy: -84.173 bonds (distance) P-C4' energy: -114.548 flat angles C4'-P-C4' energy: -114.433 flat angles P-C4'-P energy: -75.214 tors. eta vs tors. theta energy: -59.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -918.798140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.798140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.798140 (E_RNA) where: Base-Base interactions energy: -495.425 where: short stacking energy: -243.557 Base-Backbone interact. energy: -0.899 local terms energy: -422.474085 where: bonds (distance) C4'-P energy: -92.187 bonds (distance) P-C4' energy: -108.033 flat angles C4'-P-C4' energy: -117.610 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -38.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -727.057141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.057141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.057141 (E_RNA) where: Base-Base interactions energy: -380.796 where: short stacking energy: -212.444 Base-Backbone interact. energy: 3.461 local terms energy: -349.722708 where: bonds (distance) C4'-P energy: -75.419 bonds (distance) P-C4' energy: -97.514 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -8.638 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: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -578.129029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.129029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.129029 (E_RNA) where: Base-Base interactions energy: -249.861 where: short stacking energy: -176.333 Base-Backbone interact. energy: -2.560 local terms energy: -325.707727 where: bonds (distance) C4'-P energy: -103.703 bonds (distance) P-C4' energy: -111.305 flat angles C4'-P-C4' energy: -78.845 flat angles P-C4'-P energy: -41.635 tors. eta vs tors. theta energy: 9.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2246.221284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.221284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.221284 (E_RNA) where: Base-Base interactions energy: -1554.423 where: short stacking energy: -659.644 Base-Backbone interact. energy: -3.289 local terms energy: -688.509456 where: bonds (distance) C4'-P energy: -127.226 bonds (distance) P-C4' energy: -131.048 flat angles C4'-P-C4' energy: -141.653 flat angles P-C4'-P energy: -96.134 tors. eta vs tors. theta energy: -192.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2144.506633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.506633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.506633 (E_RNA) where: Base-Base interactions energy: -1473.292 where: short stacking energy: -626.369 Base-Backbone interact. energy: -4.198 local terms energy: -667.016349 where: bonds (distance) C4'-P energy: -127.479 bonds (distance) P-C4' energy: -124.818 flat angles C4'-P-C4' energy: -135.061 flat angles P-C4'-P energy: -90.956 tors. eta vs tors. theta energy: -188.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2024.052725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.052725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.052725 (E_RNA) where: Base-Base interactions energy: -1410.918 where: short stacking energy: -594.706 Base-Backbone interact. energy: -7.307 local terms energy: -605.827872 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -117.109 flat angles C4'-P-C4' energy: -136.280 flat angles P-C4'-P energy: -73.356 tors. eta vs tors. theta energy: -172.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1785.518420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.518420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.518420 (E_RNA) where: Base-Base interactions energy: -1206.562 where: short stacking energy: -508.957 Base-Backbone interact. energy: -2.510 local terms energy: -576.446558 where: bonds (distance) C4'-P energy: -123.275 bonds (distance) P-C4' energy: -105.023 flat angles C4'-P-C4' energy: -121.501 flat angles P-C4'-P energy: -98.007 tors. eta vs tors. theta energy: -128.641 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: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1744.900612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.900612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.900612 (E_RNA) where: Base-Base interactions energy: -1206.387 where: short stacking energy: -522.480 Base-Backbone interact. energy: 2.363 local terms energy: -540.876442 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -110.034 flat angles C4'-P-C4' energy: -131.013 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -132.342 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: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1509.319942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.319942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.319942 (E_RNA) where: Base-Base interactions energy: -975.370 where: short stacking energy: -444.368 Base-Backbone interact. energy: 2.233 local terms energy: -536.182239 where: bonds (distance) C4'-P energy: -105.718 bonds (distance) P-C4' energy: -122.409 flat angles C4'-P-C4' energy: -116.247 flat angles P-C4'-P energy: -83.016 tors. eta vs tors. theta energy: -108.792 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: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1240.794200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.794200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.794200 (E_RNA) where: Base-Base interactions energy: -767.058 where: short stacking energy: -347.784 Base-Backbone interact. energy: -2.049 local terms energy: -471.687977 where: bonds (distance) C4'-P energy: -107.396 bonds (distance) P-C4' energy: -113.628 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -79.947 tors. eta vs tors. theta energy: -70.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -979.560902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.560902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.560902 (E_RNA) where: Base-Base interactions energy: -535.073 where: short stacking energy: -312.643 Base-Backbone interact. energy: 3.895 local terms energy: -448.383193 where: bonds (distance) C4'-P energy: -114.490 bonds (distance) P-C4' energy: -100.732 flat angles C4'-P-C4' energy: -108.248 flat angles P-C4'-P energy: -69.386 tors. eta vs tors. theta energy: -55.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -756.693197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.693197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.693197 (E_RNA) where: Base-Base interactions energy: -382.676 where: short stacking energy: -222.539 Base-Backbone interact. energy: -0.375 local terms energy: -373.642317 where: bonds (distance) C4'-P energy: -97.005 bonds (distance) P-C4' energy: -110.504 flat angles C4'-P-C4' energy: -110.045 flat angles P-C4'-P energy: -46.554 tors. eta vs tors. theta energy: -9.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -557.022681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.022681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.022681 (E_RNA) where: Base-Base interactions energy: -234.071 where: short stacking energy: -172.541 Base-Backbone interact. energy: -0.377 local terms energy: -322.575023 where: bonds (distance) C4'-P energy: -92.827 bonds (distance) P-C4' energy: -98.193 flat angles C4'-P-C4' energy: -100.146 flat angles P-C4'-P energy: -46.658 tors. eta vs tors. theta energy: 15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2226.115029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.115029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.115029 (E_RNA) where: Base-Base interactions energy: -1537.957 where: short stacking energy: -669.726 Base-Backbone interact. energy: 0.973 local terms energy: -689.131293 where: bonds (distance) C4'-P energy: -113.949 bonds (distance) P-C4' energy: -134.668 flat angles C4'-P-C4' energy: -145.001 flat angles P-C4'-P energy: -101.713 tors. eta vs tors. theta energy: -193.800 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: 382 Temperature: 0.950000 Total energy: -2106.283718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.283718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.283718 (E_RNA) where: Base-Base interactions energy: -1450.569 where: short stacking energy: -605.099 Base-Backbone interact. energy: -2.425 local terms energy: -653.288947 where: bonds (distance) C4'-P energy: -129.956 bonds (distance) P-C4' energy: -126.921 flat angles C4'-P-C4' energy: -135.095 flat angles P-C4'-P energy: -85.727 tors. eta vs tors. theta energy: -175.590 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: 382 Temperature: 1.000000 Total energy: -2033.950043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.950043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.950043 (E_RNA) where: Base-Base interactions energy: -1390.089 where: short stacking energy: -565.085 Base-Backbone interact. energy: -4.200 local terms energy: -639.660605 where: bonds (distance) C4'-P energy: -110.788 bonds (distance) P-C4' energy: -124.166 flat angles C4'-P-C4' energy: -140.423 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -169.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1802.407662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.407662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.407662 (E_RNA) where: Base-Base interactions energy: -1215.329 where: short stacking energy: -530.902 Base-Backbone interact. energy: -4.153 local terms energy: -582.925651 where: bonds (distance) C4'-P energy: -100.617 bonds (distance) P-C4' energy: -117.769 flat angles C4'-P-C4' energy: -128.574 flat angles P-C4'-P energy: -88.884 tors. eta vs tors. theta energy: -147.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1758.378475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.378475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.378475 (E_RNA) where: Base-Base interactions energy: -1174.478 where: short stacking energy: -496.022 Base-Backbone interact. energy: -1.313 local terms energy: -582.588271 where: bonds (distance) C4'-P energy: -115.936 bonds (distance) P-C4' energy: -126.916 flat angles C4'-P-C4' energy: -128.453 flat angles P-C4'-P energy: -70.533 tors. eta vs tors. theta energy: -140.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1548.146091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.146091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.146091 (E_RNA) where: Base-Base interactions energy: -1030.735 where: short stacking energy: -471.898 Base-Backbone interact. energy: -1.327 local terms energy: -516.084064 where: bonds (distance) C4'-P energy: -90.612 bonds (distance) P-C4' energy: -117.775 flat angles C4'-P-C4' energy: -113.474 flat angles P-C4'-P energy: -73.370 tors. eta vs tors. theta energy: -120.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1202.370090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.370090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.370090 (E_RNA) where: Base-Base interactions energy: -744.400 where: short stacking energy: -355.207 Base-Backbone interact. energy: -2.799 local terms energy: -455.170686 where: bonds (distance) C4'-P energy: -100.792 bonds (distance) P-C4' energy: -112.972 flat angles C4'-P-C4' energy: -101.296 flat angles P-C4'-P energy: -70.004 tors. eta vs tors. theta energy: -70.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -936.458781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.458781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.458781 (E_RNA) where: Base-Base interactions energy: -524.891 where: short stacking energy: -263.684 Base-Backbone interact. energy: 1.291 local terms energy: -412.858805 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -116.333 flat angles C4'-P-C4' energy: -114.042 flat angles P-C4'-P energy: -54.117 tors. eta vs tors. theta energy: -27.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -707.669828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.669828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.669828 (E_RNA) where: Base-Base interactions energy: -346.645 where: short stacking energy: -217.905 Base-Backbone interact. energy: -3.175 local terms energy: -357.849804 where: bonds (distance) C4'-P energy: -120.057 bonds (distance) P-C4' energy: -111.863 flat angles C4'-P-C4' energy: -73.478 flat angles P-C4'-P energy: -51.658 tors. eta vs tors. theta energy: -0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -606.927027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.927027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.927027 (E_RNA) where: Base-Base interactions energy: -266.316 where: short stacking energy: -159.458 Base-Backbone interact. energy: -1.032 local terms energy: -339.579420 where: bonds (distance) C4'-P energy: -86.751 bonds (distance) P-C4' energy: -121.023 flat angles C4'-P-C4' energy: -91.472 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: 7.514 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: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2245.547284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.547284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.547284 (E_RNA) where: Base-Base interactions energy: -1542.094 where: short stacking energy: -658.414 Base-Backbone interact. energy: -3.091 local terms energy: -700.361952 where: bonds (distance) C4'-P energy: -132.270 bonds (distance) P-C4' energy: -137.260 flat angles C4'-P-C4' energy: -136.892 flat angles P-C4'-P energy: -97.749 tors. eta vs tors. theta energy: -196.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2170.783157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.783157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.783157 (E_RNA) where: Base-Base interactions energy: -1523.757 where: short stacking energy: -605.494 Base-Backbone interact. energy: 1.010 local terms energy: -648.035561 where: bonds (distance) C4'-P energy: -119.546 bonds (distance) P-C4' energy: -116.669 flat angles C4'-P-C4' energy: -131.476 flat angles P-C4'-P energy: -96.074 tors. eta vs tors. theta energy: -184.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2061.509374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.509374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.509374 (E_RNA) where: Base-Base interactions energy: -1418.588 where: short stacking energy: -574.991 Base-Backbone interact. energy: -5.221 local terms energy: -637.700219 where: bonds (distance) C4'-P energy: -120.244 bonds (distance) P-C4' energy: -134.458 flat angles C4'-P-C4' energy: -128.823 flat angles P-C4'-P energy: -83.610 tors. eta vs tors. theta energy: -170.564 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: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1813.181979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.181979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.181979 (E_RNA) where: Base-Base interactions energy: -1225.534 where: short stacking energy: -530.563 Base-Backbone interact. energy: -2.524 local terms energy: -585.124485 where: bonds (distance) C4'-P energy: -117.745 bonds (distance) P-C4' energy: -112.433 flat angles C4'-P-C4' energy: -125.486 flat angles P-C4'-P energy: -82.108 tors. eta vs tors. theta energy: -147.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1783.084330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.084330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.084330 (E_RNA) where: Base-Base interactions energy: -1227.648 where: short stacking energy: -514.437 Base-Backbone interact. energy: -5.155 local terms energy: -550.280829 where: bonds (distance) C4'-P energy: -111.335 bonds (distance) P-C4' energy: -114.470 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -141.010 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: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1483.463171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.463171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.463171 (E_RNA) where: Base-Base interactions energy: -967.103 where: short stacking energy: -419.857 Base-Backbone interact. energy: -1.184 local terms energy: -515.175670 where: bonds (distance) C4'-P energy: -96.669 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -115.060 flat angles P-C4'-P energy: -78.946 tors. eta vs tors. theta energy: -105.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1215.834733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.834733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.834733 (E_RNA) where: Base-Base interactions energy: -743.681 where: short stacking energy: -354.737 Base-Backbone interact. energy: 1.735 local terms energy: -473.889465 where: bonds (distance) C4'-P energy: -88.098 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -118.796 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: -78.235 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: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -925.228701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.228701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.228701 (E_RNA) where: Base-Base interactions energy: -540.715 where: short stacking energy: -269.123 Base-Backbone interact. energy: 6.638 local terms energy: -391.151274 where: bonds (distance) C4'-P energy: -104.657 bonds (distance) P-C4' energy: -100.712 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: -31.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -719.643288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.643288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.643288 (E_RNA) where: Base-Base interactions energy: -340.187 where: short stacking energy: -210.975 Base-Backbone interact. energy: 5.140 local terms energy: -384.596628 where: bonds (distance) C4'-P energy: -89.820 bonds (distance) P-C4' energy: -116.848 flat angles C4'-P-C4' energy: -104.958 flat angles P-C4'-P energy: -73.297 tors. eta vs tors. theta energy: 0.326 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: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -545.016541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.016541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.016541 (E_RNA) where: Base-Base interactions energy: -220.265 where: short stacking energy: -151.502 Base-Backbone interact. energy: -2.494 local terms energy: -322.257519 where: bonds (distance) C4'-P energy: -95.470 bonds (distance) P-C4' energy: -94.689 flat angles C4'-P-C4' energy: -94.846 flat angles P-C4'-P energy: -45.488 tors. eta vs tors. theta energy: 8.236 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: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2196.855539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.855539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.855539 (E_RNA) where: Base-Base interactions energy: -1490.390 where: short stacking energy: -619.251 Base-Backbone interact. energy: -2.117 local terms energy: -704.349175 where: bonds (distance) C4'-P energy: -126.003 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -156.885 flat angles P-C4'-P energy: -106.336 tors. eta vs tors. theta energy: -190.478 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: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2146.719233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.719233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.719233 (E_RNA) where: Base-Base interactions energy: -1482.922 where: short stacking energy: -621.789 Base-Backbone interact. energy: -3.033 local terms energy: -660.763990 where: bonds (distance) C4'-P energy: -124.297 bonds (distance) P-C4' energy: -120.124 flat angles C4'-P-C4' energy: -138.519 flat angles P-C4'-P energy: -93.723 tors. eta vs tors. theta energy: -184.101 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: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2037.743027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.743027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.743027 (E_RNA) where: Base-Base interactions energy: -1403.126 where: short stacking energy: -600.126 Base-Backbone interact. energy: -0.384 local terms energy: -634.232975 where: bonds (distance) C4'-P energy: -102.722 bonds (distance) P-C4' energy: -123.581 flat angles C4'-P-C4' energy: -134.326 flat angles P-C4'-P energy: -91.974 tors. eta vs tors. theta energy: -181.629 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: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1810.276641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.276641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.276641 (E_RNA) where: Base-Base interactions energy: -1209.032 where: short stacking energy: -549.980 Base-Backbone interact. energy: -1.256 local terms energy: -599.988623 where: bonds (distance) C4'-P energy: -104.698 bonds (distance) P-C4' energy: -120.567 flat angles C4'-P-C4' energy: -133.212 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -151.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1785.398190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.398190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.398190 (E_RNA) where: Base-Base interactions energy: -1232.154 where: short stacking energy: -541.211 Base-Backbone interact. energy: -2.259 local terms energy: -550.985725 where: bonds (distance) C4'-P energy: -98.541 bonds (distance) P-C4' energy: -112.952 flat angles C4'-P-C4' energy: -129.624 flat angles P-C4'-P energy: -71.415 tors. eta vs tors. theta energy: -138.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1469.217398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.217398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.217398 (E_RNA) where: Base-Base interactions energy: -995.696 where: short stacking energy: -439.649 Base-Backbone interact. energy: 0.949 local terms energy: -474.469661 where: bonds (distance) C4'-P energy: -101.724 bonds (distance) P-C4' energy: -88.041 flat angles C4'-P-C4' energy: -105.489 flat angles P-C4'-P energy: -79.176 tors. eta vs tors. theta energy: -100.039 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: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1223.524633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.524633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.524633 (E_RNA) where: Base-Base interactions energy: -712.978 where: short stacking energy: -351.423 Base-Backbone interact. energy: -0.484 local terms energy: -510.062043 where: bonds (distance) C4'-P energy: -107.908 bonds (distance) P-C4' energy: -124.585 flat angles C4'-P-C4' energy: -127.099 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -69.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -937.390144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.390144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.390144 (E_RNA) where: Base-Base interactions energy: -539.343 where: short stacking energy: -263.446 Base-Backbone interact. energy: 6.487 local terms energy: -404.533903 where: bonds (distance) C4'-P energy: -92.823 bonds (distance) P-C4' energy: -104.784 flat angles C4'-P-C4' energy: -109.604 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -31.287 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: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -706.192232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.192232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.192232 (E_RNA) where: Base-Base interactions energy: -359.665 where: short stacking energy: -235.384 Base-Backbone interact. energy: -1.957 local terms energy: -344.569927 where: bonds (distance) C4'-P energy: -92.904 bonds (distance) P-C4' energy: -119.089 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -34.352 tors. eta vs tors. theta energy: -20.647 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: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -488.196087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.196087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.196087 (E_RNA) where: Base-Base interactions energy: -179.802 where: short stacking energy: -150.975 Base-Backbone interact. energy: 5.555 local terms energy: -313.948908 where: bonds (distance) C4'-P energy: -108.285 bonds (distance) P-C4' energy: -126.468 flat angles C4'-P-C4' energy: -66.707 flat angles P-C4'-P energy: -36.147 tors. eta vs tors. theta energy: 23.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2201.943477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.943477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.943477 (E_RNA) where: Base-Base interactions energy: -1489.032 where: short stacking energy: -650.801 Base-Backbone interact. energy: -1.485 local terms energy: -711.426958 where: bonds (distance) C4'-P energy: -130.090 bonds (distance) P-C4' energy: -126.098 flat angles C4'-P-C4' energy: -148.683 flat angles P-C4'-P energy: -108.645 tors. eta vs tors. theta energy: -197.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2116.774438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.774438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.774438 (E_RNA) where: Base-Base interactions energy: -1469.009 where: short stacking energy: -606.594 Base-Backbone interact. energy: -4.286 local terms energy: -643.478947 where: bonds (distance) C4'-P energy: -119.778 bonds (distance) P-C4' energy: -118.185 flat angles C4'-P-C4' energy: -130.434 flat angles P-C4'-P energy: -88.306 tors. eta vs tors. theta energy: -186.775 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: 385 Temperature: 1.000000 Total energy: -2045.831531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.831531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.831531 (E_RNA) where: Base-Base interactions energy: -1408.501 where: short stacking energy: -600.727 Base-Backbone interact. energy: -3.102 local terms energy: -634.229037 where: bonds (distance) C4'-P energy: -117.885 bonds (distance) P-C4' energy: -120.827 flat angles C4'-P-C4' energy: -134.597 flat angles P-C4'-P energy: -88.850 tors. eta vs tors. theta energy: -172.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1811.827201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.827201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.827201 (E_RNA) where: Base-Base interactions energy: -1213.590 where: short stacking energy: -505.712 Base-Backbone interact. energy: -3.485 local terms energy: -594.752025 where: bonds (distance) C4'-P energy: -111.083 bonds (distance) P-C4' energy: -126.546 flat angles C4'-P-C4' energy: -136.715 flat angles P-C4'-P energy: -89.416 tors. eta vs tors. theta energy: -130.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1693.838759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.838759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.838759 (E_RNA) where: Base-Base interactions energy: -1137.898 where: short stacking energy: -513.178 Base-Backbone interact. energy: 0.185 local terms energy: -556.125608 where: bonds (distance) C4'-P energy: -100.081 bonds (distance) P-C4' energy: -125.505 flat angles C4'-P-C4' energy: -123.154 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -126.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1504.843774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.843774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.843774 (E_RNA) where: Base-Base interactions energy: -955.548 where: short stacking energy: -432.646 Base-Backbone interact. energy: -0.517 local terms energy: -548.779040 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -111.223 flat angles C4'-P-C4' energy: -133.133 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -106.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1220.287475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.287475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.287475 (E_RNA) where: Base-Base interactions energy: -755.553 where: short stacking energy: -395.090 Base-Backbone interact. energy: 1.354 local terms energy: -466.088816 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -105.196 flat angles C4'-P-C4' energy: -112.832 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -79.410 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: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -952.964295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.964295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.964295 (E_RNA) where: Base-Base interactions energy: -553.706 where: short stacking energy: -281.183 Base-Backbone interact. energy: -2.902 local terms energy: -396.356182 where: bonds (distance) C4'-P energy: -109.855 bonds (distance) P-C4' energy: -106.507 flat angles C4'-P-C4' energy: -103.772 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -22.088 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: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -712.429430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.429430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.429430 (E_RNA) where: Base-Base interactions energy: -333.467 where: short stacking energy: -205.385 Base-Backbone interact. energy: 1.375 local terms energy: -380.337552 where: bonds (distance) C4'-P energy: -116.102 bonds (distance) P-C4' energy: -109.449 flat angles C4'-P-C4' energy: -81.813 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -488.975515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.975515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.975515 (E_RNA) where: Base-Base interactions energy: -172.065 where: short stacking energy: -134.499 Base-Backbone interact. energy: -0.788 local terms energy: -316.122637 where: bonds (distance) C4'-P energy: -112.840 bonds (distance) P-C4' energy: -106.280 flat angles C4'-P-C4' energy: -77.097 flat angles P-C4'-P energy: -44.549 tors. eta vs tors. theta energy: 24.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2218.078645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.078645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.078645 (E_RNA) where: Base-Base interactions energy: -1517.179 where: short stacking energy: -664.611 Base-Backbone interact. energy: -1.272 local terms energy: -699.628014 where: bonds (distance) C4'-P energy: -126.110 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -148.172 flat angles P-C4'-P energy: -98.604 tors. eta vs tors. theta energy: -197.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2111.198255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.198255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.198255 (E_RNA) where: Base-Base interactions energy: -1458.233 where: short stacking energy: -627.048 Base-Backbone interact. energy: -2.962 local terms energy: -650.002957 where: bonds (distance) C4'-P energy: -117.064 bonds (distance) P-C4' energy: -120.725 flat angles C4'-P-C4' energy: -134.499 flat angles P-C4'-P energy: -90.130 tors. eta vs tors. theta energy: -187.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2026.147511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.147511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.147511 (E_RNA) where: Base-Base interactions energy: -1408.181 where: short stacking energy: -603.618 Base-Backbone interact. energy: 1.230 local terms energy: -619.195848 where: bonds (distance) C4'-P energy: -123.843 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -141.476 flat angles P-C4'-P energy: -74.671 tors. eta vs tors. theta energy: -172.403 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: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1872.041806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.041806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.041806 (E_RNA) where: Base-Base interactions energy: -1291.010 where: short stacking energy: -564.798 Base-Backbone interact. energy: -2.159 local terms energy: -578.872722 where: bonds (distance) C4'-P energy: -98.202 bonds (distance) P-C4' energy: -119.832 flat angles C4'-P-C4' energy: -136.535 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -147.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1697.909444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.909444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.909444 (E_RNA) where: Base-Base interactions energy: -1126.828 where: short stacking energy: -509.495 Base-Backbone interact. energy: -3.697 local terms energy: -567.384196 where: bonds (distance) C4'-P energy: -118.815 bonds (distance) P-C4' energy: -131.087 flat angles C4'-P-C4' energy: -113.714 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -130.784 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: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1517.467246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.467246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.467246 (E_RNA) where: Base-Base interactions energy: -995.690 where: short stacking energy: -442.758 Base-Backbone interact. energy: 1.520 local terms energy: -523.297346 where: bonds (distance) C4'-P energy: -100.791 bonds (distance) P-C4' energy: -110.199 flat angles C4'-P-C4' energy: -118.601 flat angles P-C4'-P energy: -82.840 tors. eta vs tors. theta energy: -110.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1220.966745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.966745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.966745 (E_RNA) where: Base-Base interactions energy: -740.641 where: short stacking energy: -360.506 Base-Backbone interact. energy: -3.016 local terms energy: -477.310212 where: bonds (distance) C4'-P energy: -109.997 bonds (distance) P-C4' energy: -117.728 flat angles C4'-P-C4' energy: -116.160 flat angles P-C4'-P energy: -64.991 tors. eta vs tors. theta energy: -68.435 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: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -981.498401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.498401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.498401 (E_RNA) where: Base-Base interactions energy: -552.791 where: short stacking energy: -257.759 Base-Backbone interact. energy: 2.967 local terms energy: -431.674375 where: bonds (distance) C4'-P energy: -104.946 bonds (distance) P-C4' energy: -113.931 flat angles C4'-P-C4' energy: -119.286 flat angles P-C4'-P energy: -63.459 tors. eta vs tors. theta energy: -30.053 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: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -713.844915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.844915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.844915 (E_RNA) where: Base-Base interactions energy: -369.004 where: short stacking energy: -227.167 Base-Backbone interact. energy: -1.263 local terms energy: -343.578466 where: bonds (distance) C4'-P energy: -93.001 bonds (distance) P-C4' energy: -111.643 flat angles C4'-P-C4' energy: -83.541 flat angles P-C4'-P energy: -50.075 tors. eta vs tors. theta energy: -5.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -510.546122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.546122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.546122 (E_RNA) where: Base-Base interactions energy: -191.190 where: short stacking energy: -136.897 Base-Backbone interact. energy: 3.436 local terms energy: -322.791956 where: bonds (distance) C4'-P energy: -88.221 bonds (distance) P-C4' energy: -104.724 flat angles C4'-P-C4' energy: -94.617 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: 14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2183.117121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.117121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.117121 (E_RNA) where: Base-Base interactions energy: -1488.591 where: short stacking energy: -660.006 Base-Backbone interact. energy: -3.216 local terms energy: -691.310522 where: bonds (distance) C4'-P energy: -123.774 bonds (distance) P-C4' energy: -128.038 flat angles C4'-P-C4' energy: -146.676 flat angles P-C4'-P energy: -94.287 tors. eta vs tors. theta energy: -198.536 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: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2118.402824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.402824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.402824 (E_RNA) where: Base-Base interactions energy: -1459.241 where: short stacking energy: -619.464 Base-Backbone interact. energy: -4.845 local terms energy: -654.317430 where: bonds (distance) C4'-P energy: -116.538 bonds (distance) P-C4' energy: -128.191 flat angles C4'-P-C4' energy: -138.143 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -178.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2049.151675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.151675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.151675 (E_RNA) where: Base-Base interactions energy: -1411.634 where: short stacking energy: -620.818 Base-Backbone interact. energy: -1.807 local terms energy: -635.711595 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -112.177 flat angles C4'-P-C4' energy: -128.635 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -177.352 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: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1855.084113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.084113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.084113 (E_RNA) where: Base-Base interactions energy: -1292.205 where: short stacking energy: -533.893 Base-Backbone interact. energy: -4.214 local terms energy: -558.664555 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -106.190 flat angles C4'-P-C4' energy: -120.662 flat angles P-C4'-P energy: -78.756 tors. eta vs tors. theta energy: -139.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1770.904633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.904633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.904633 (E_RNA) where: Base-Base interactions energy: -1216.436 where: short stacking energy: -531.667 Base-Backbone interact. energy: -2.888 local terms energy: -551.580097 where: bonds (distance) C4'-P energy: -96.217 bonds (distance) P-C4' energy: -106.058 flat angles C4'-P-C4' energy: -126.101 flat angles P-C4'-P energy: -77.303 tors. eta vs tors. theta energy: -145.902 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: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1552.246329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.246329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.246329 (E_RNA) where: Base-Base interactions energy: -995.798 where: short stacking energy: -435.090 Base-Backbone interact. energy: 0.686 local terms energy: -557.133947 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -110.122 flat angles C4'-P-C4' energy: -133.983 flat angles P-C4'-P energy: -88.157 tors. eta vs tors. theta energy: -105.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1203.041802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.041802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.041802 (E_RNA) where: Base-Base interactions energy: -766.131 where: short stacking energy: -367.653 Base-Backbone interact. energy: -2.533 local terms energy: -434.377671 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -101.395 flat angles C4'-P-C4' energy: -118.256 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -60.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1003.613439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.613439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.613439 (E_RNA) where: Base-Base interactions energy: -599.410 where: short stacking energy: -267.901 Base-Backbone interact. energy: 0.009 local terms energy: -404.211887 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -106.029 flat angles C4'-P-C4' energy: -95.173 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -36.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -703.365730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.365730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.365730 (E_RNA) where: Base-Base interactions energy: -345.169 where: short stacking energy: -194.943 Base-Backbone interact. energy: 3.212 local terms energy: -361.408661 where: bonds (distance) C4'-P energy: -105.156 bonds (distance) P-C4' energy: -89.423 flat angles C4'-P-C4' energy: -104.553 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: 3.958 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -588.786911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.786911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.786911 (E_RNA) where: Base-Base interactions energy: -269.139 where: short stacking energy: -199.741 Base-Backbone interact. energy: 4.605 local terms energy: -324.252083 where: bonds (distance) C4'-P energy: -109.215 bonds (distance) P-C4' energy: -87.853 flat angles C4'-P-C4' energy: -84.023 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: 10.544 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: 1, replica: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2189.887714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.887714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.887714 (E_RNA) where: Base-Base interactions energy: -1491.488 where: short stacking energy: -651.882 Base-Backbone interact. energy: -0.030 local terms energy: -698.369176 where: bonds (distance) C4'-P energy: -117.842 bonds (distance) P-C4' energy: -131.195 flat angles C4'-P-C4' energy: -145.283 flat angles P-C4'-P energy: -107.554 tors. eta vs tors. theta energy: -196.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2137.437048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.437048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.437048 (E_RNA) where: Base-Base interactions energy: -1469.187 where: short stacking energy: -619.330 Base-Backbone interact. energy: -0.840 local terms energy: -667.409958 where: bonds (distance) C4'-P energy: -126.998 bonds (distance) P-C4' energy: -114.205 flat angles C4'-P-C4' energy: -140.354 flat angles P-C4'-P energy: -95.673 tors. eta vs tors. theta energy: -190.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2037.466102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.466102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.466102 (E_RNA) where: Base-Base interactions energy: -1385.492 where: short stacking energy: -589.517 Base-Backbone interact. energy: -4.032 local terms energy: -647.941911 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -122.858 flat angles C4'-P-C4' energy: -141.847 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -176.499 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: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1843.933619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.933619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.933619 (E_RNA) where: Base-Base interactions energy: -1253.689 where: short stacking energy: -552.288 Base-Backbone interact. energy: -2.108 local terms energy: -588.136883 where: bonds (distance) C4'-P energy: -100.504 bonds (distance) P-C4' energy: -124.606 flat angles C4'-P-C4' energy: -132.553 flat angles P-C4'-P energy: -88.144 tors. eta vs tors. theta energy: -142.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1758.243769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.243769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.243769 (E_RNA) where: Base-Base interactions energy: -1163.112 where: short stacking energy: -489.647 Base-Backbone interact. energy: -2.426 local terms energy: -592.705908 where: bonds (distance) C4'-P energy: -122.301 bonds (distance) P-C4' energy: -100.603 flat angles C4'-P-C4' energy: -135.247 flat angles P-C4'-P energy: -89.672 tors. eta vs tors. theta energy: -144.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1511.440444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.440444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.440444 (E_RNA) where: Base-Base interactions energy: -1011.487 where: short stacking energy: -482.420 Base-Backbone interact. energy: -2.898 local terms energy: -497.055667 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -101.868 flat angles C4'-P-C4' energy: -108.986 flat angles P-C4'-P energy: -56.389 tors. eta vs tors. theta energy: -116.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1247.540007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.540007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.540007 (E_RNA) where: Base-Base interactions energy: -761.394 where: short stacking energy: -372.358 Base-Backbone interact. energy: -4.574 local terms energy: -481.572227 where: bonds (distance) C4'-P energy: -113.633 bonds (distance) P-C4' energy: -120.572 flat angles C4'-P-C4' energy: -119.868 flat angles P-C4'-P energy: -71.185 tors. eta vs tors. theta energy: -56.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1020.461256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.461256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.461256 (E_RNA) where: Base-Base interactions energy: -568.604 where: short stacking energy: -266.473 Base-Backbone interact. energy: 7.230 local terms energy: -459.086615 where: bonds (distance) C4'-P energy: -119.457 bonds (distance) P-C4' energy: -116.545 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -70.990 tors. eta vs tors. theta energy: -43.992 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: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -722.412993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.412993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.412993 (E_RNA) where: Base-Base interactions energy: -338.947 where: short stacking energy: -209.820 Base-Backbone interact. energy: 2.899 local terms energy: -386.365212 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -110.707 flat angles C4'-P-C4' energy: -95.102 flat angles P-C4'-P energy: -70.571 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -502.760462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.760462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.760462 (E_RNA) where: Base-Base interactions energy: -193.841 where: short stacking energy: -160.455 Base-Backbone interact. energy: 1.481 local terms energy: -310.400837 where: bonds (distance) C4'-P energy: -95.055 bonds (distance) P-C4' energy: -115.982 flat angles C4'-P-C4' energy: -74.180 flat angles P-C4'-P energy: -37.224 tors. eta vs tors. theta energy: 12.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2190.379353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.379353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.379353 (E_RNA) where: Base-Base interactions energy: -1488.798 where: short stacking energy: -682.329 Base-Backbone interact. energy: -1.649 local terms energy: -699.932460 where: bonds (distance) C4'-P energy: -128.296 bonds (distance) P-C4' energy: -129.619 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -98.856 tors. eta vs tors. theta energy: -201.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2120.180929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.180929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.180929 (E_RNA) where: Base-Base interactions energy: -1463.734 where: short stacking energy: -604.698 Base-Backbone interact. energy: -1.511 local terms energy: -654.936313 where: bonds (distance) C4'-P energy: -128.792 bonds (distance) P-C4' energy: -122.180 flat angles C4'-P-C4' energy: -126.024 flat angles P-C4'-P energy: -93.294 tors. eta vs tors. theta energy: -184.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2070.182410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.182410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.182410 (E_RNA) where: Base-Base interactions energy: -1427.832 where: short stacking energy: -595.178 Base-Backbone interact. energy: -1.320 local terms energy: -641.030841 where: bonds (distance) C4'-P energy: -111.851 bonds (distance) P-C4' energy: -117.713 flat angles C4'-P-C4' energy: -136.697 flat angles P-C4'-P energy: -92.452 tors. eta vs tors. theta energy: -182.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1805.326893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.326893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.326893 (E_RNA) where: Base-Base interactions energy: -1201.442 where: short stacking energy: -549.561 Base-Backbone interact. energy: -1.863 local terms energy: -602.022107 where: bonds (distance) C4'-P energy: -110.056 bonds (distance) P-C4' energy: -122.581 flat angles C4'-P-C4' energy: -135.053 flat angles P-C4'-P energy: -81.623 tors. eta vs tors. theta energy: -152.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1752.150059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.150059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.150059 (E_RNA) where: Base-Base interactions energy: -1184.745 where: short stacking energy: -502.370 Base-Backbone interact. energy: -1.679 local terms energy: -565.725224 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -113.105 flat angles C4'-P-C4' energy: -129.040 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: -129.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1549.040233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.040233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.040233 (E_RNA) where: Base-Base interactions energy: -1024.050 where: short stacking energy: -452.292 Base-Backbone interact. energy: 1.017 local terms energy: -526.006835 where: bonds (distance) C4'-P energy: -125.189 bonds (distance) P-C4' energy: -111.673 flat angles C4'-P-C4' energy: -126.175 flat angles P-C4'-P energy: -65.624 tors. eta vs tors. theta energy: -97.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1217.483305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.483305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.483305 (E_RNA) where: Base-Base interactions energy: -770.685 where: short stacking energy: -376.301 Base-Backbone interact. energy: -2.650 local terms energy: -444.148056 where: bonds (distance) C4'-P energy: -77.550 bonds (distance) P-C4' energy: -114.445 flat angles C4'-P-C4' energy: -114.996 flat angles P-C4'-P energy: -67.500 tors. eta vs tors. theta energy: -69.656 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: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -986.156791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.156791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.156791 (E_RNA) where: Base-Base interactions energy: -579.801 where: short stacking energy: -287.386 Base-Backbone interact. energy: -1.698 local terms energy: -404.657697 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -103.655 flat angles C4'-P-C4' energy: -90.511 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -49.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -693.554061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.554061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.554061 (E_RNA) where: Base-Base interactions energy: -349.723 where: short stacking energy: -203.082 Base-Backbone interact. energy: -4.383 local terms energy: -339.447593 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -100.838 flat angles C4'-P-C4' energy: -85.316 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: 2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -493.585912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.585912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.585912 (E_RNA) where: Base-Base interactions energy: -188.702 where: short stacking energy: -155.276 Base-Backbone interact. energy: -1.353 local terms energy: -303.530503 where: bonds (distance) C4'-P energy: -101.728 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -93.537 flat angles P-C4'-P energy: -38.459 tors. eta vs tors. theta energy: 12.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2203.808218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.808218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.808218 (E_RNA) where: Base-Base interactions energy: -1518.213 where: short stacking energy: -656.073 Base-Backbone interact. energy: -2.296 local terms energy: -683.299126 where: bonds (distance) C4'-P energy: -118.213 bonds (distance) P-C4' energy: -125.690 flat angles C4'-P-C4' energy: -145.620 flat angles P-C4'-P energy: -98.310 tors. eta vs tors. theta energy: -195.467 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: 390 Temperature: 0.950000 Total energy: -2130.651547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.651547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.651547 (E_RNA) where: Base-Base interactions energy: -1458.194 where: short stacking energy: -622.554 Base-Backbone interact. energy: -2.600 local terms energy: -669.857293 where: bonds (distance) C4'-P energy: -130.047 bonds (distance) P-C4' energy: -121.593 flat angles C4'-P-C4' energy: -142.397 flat angles P-C4'-P energy: -85.705 tors. eta vs tors. theta energy: -190.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2052.848812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.848812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.848812 (E_RNA) where: Base-Base interactions energy: -1418.078 where: short stacking energy: -581.881 Base-Backbone interact. energy: -1.473 local terms energy: -633.298462 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -136.443 flat angles C4'-P-C4' energy: -138.967 flat angles P-C4'-P energy: -82.664 tors. eta vs tors. theta energy: -165.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1828.629699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.629699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.629699 (E_RNA) where: Base-Base interactions energy: -1197.532 where: short stacking energy: -531.808 Base-Backbone interact. energy: 1.047 local terms energy: -632.144328 where: bonds (distance) C4'-P energy: -116.668 bonds (distance) P-C4' energy: -113.035 flat angles C4'-P-C4' energy: -145.522 flat angles P-C4'-P energy: -99.450 tors. eta vs tors. theta energy: -157.469 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: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1749.475185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.475185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.475185 (E_RNA) where: Base-Base interactions energy: -1200.537 where: short stacking energy: -519.143 Base-Backbone interact. energy: -2.105 local terms energy: -546.833516 where: bonds (distance) C4'-P energy: -113.024 bonds (distance) P-C4' energy: -108.342 flat angles C4'-P-C4' energy: -129.558 flat angles P-C4'-P energy: -66.927 tors. eta vs tors. theta energy: -128.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1509.242761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.242761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.242761 (E_RNA) where: Base-Base interactions energy: -971.880 where: short stacking energy: -437.368 Base-Backbone interact. energy: -1.323 local terms energy: -536.040280 where: bonds (distance) C4'-P energy: -102.632 bonds (distance) P-C4' energy: -121.915 flat angles C4'-P-C4' energy: -122.182 flat angles P-C4'-P energy: -79.249 tors. eta vs tors. theta energy: -110.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1302.213426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.213426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.213426 (E_RNA) where: Base-Base interactions energy: -829.857 where: short stacking energy: -384.949 Base-Backbone interact. energy: -2.699 local terms energy: -469.657516 where: bonds (distance) C4'-P energy: -104.882 bonds (distance) P-C4' energy: -106.392 flat angles C4'-P-C4' energy: -110.539 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -84.022 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: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1031.510117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.510117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.510117 (E_RNA) where: Base-Base interactions energy: -591.938 where: short stacking energy: -295.637 Base-Backbone interact. energy: 5.719 local terms energy: -445.290512 where: bonds (distance) C4'-P energy: -99.846 bonds (distance) P-C4' energy: -118.505 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -49.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -719.971603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.971603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.971603 (E_RNA) where: Base-Base interactions energy: -358.616 where: short stacking energy: -228.142 Base-Backbone interact. energy: 0.153 local terms energy: -361.508046 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -91.121 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -23.711 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: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -503.139055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.139055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.139055 (E_RNA) where: Base-Base interactions energy: -185.280 where: short stacking energy: -151.242 Base-Backbone interact. energy: 0.030 local terms energy: -317.889130 where: bonds (distance) C4'-P energy: -106.524 bonds (distance) P-C4' energy: -107.318 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -38.764 tors. eta vs tors. theta energy: 10.774 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: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2200.393617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.393617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.393617 (E_RNA) where: Base-Base interactions energy: -1491.686 where: short stacking energy: -657.934 Base-Backbone interact. energy: -2.636 local terms energy: -706.072147 where: bonds (distance) C4'-P energy: -120.791 bonds (distance) P-C4' energy: -126.998 flat angles C4'-P-C4' energy: -148.200 flat angles P-C4'-P energy: -107.256 tors. eta vs tors. theta energy: -202.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2123.786786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.786786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.786786 (E_RNA) where: Base-Base interactions energy: -1471.352 where: short stacking energy: -607.922 Base-Backbone interact. energy: -2.697 local terms energy: -649.737860 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -112.882 flat angles C4'-P-C4' energy: -146.944 flat angles P-C4'-P energy: -92.326 tors. eta vs tors. theta energy: -192.383 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: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2090.748253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.748253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.748253 (E_RNA) where: Base-Base interactions energy: -1433.982 where: short stacking energy: -627.306 Base-Backbone interact. energy: -3.831 local terms energy: -652.935436 where: bonds (distance) C4'-P energy: -115.006 bonds (distance) P-C4' energy: -133.395 flat angles C4'-P-C4' energy: -139.419 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -175.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1768.259172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.259172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.259172 (E_RNA) where: Base-Base interactions energy: -1206.851 where: short stacking energy: -541.519 Base-Backbone interact. energy: -1.284 local terms energy: -560.123786 where: bonds (distance) C4'-P energy: -88.696 bonds (distance) P-C4' energy: -114.909 flat angles C4'-P-C4' energy: -132.131 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -141.467 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: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1720.811228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.811228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.811228 (E_RNA) where: Base-Base interactions energy: -1167.804 where: short stacking energy: -498.154 Base-Backbone interact. energy: -1.699 local terms energy: -551.308746 where: bonds (distance) C4'-P energy: -114.860 bonds (distance) P-C4' energy: -113.824 flat angles C4'-P-C4' energy: -128.289 flat angles P-C4'-P energy: -62.894 tors. eta vs tors. theta energy: -131.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1564.151004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.151004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.151004 (E_RNA) where: Base-Base interactions energy: -1069.034 where: short stacking energy: -465.750 Base-Backbone interact. energy: -0.850 local terms energy: -494.266596 where: bonds (distance) C4'-P energy: -90.853 bonds (distance) P-C4' energy: -103.369 flat angles C4'-P-C4' energy: -116.323 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -103.498 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: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1260.690916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.690916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.690916 (E_RNA) where: Base-Base interactions energy: -765.625 where: short stacking energy: -389.389 Base-Backbone interact. energy: -1.008 local terms energy: -494.057844 where: bonds (distance) C4'-P energy: -120.428 bonds (distance) P-C4' energy: -106.498 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -70.682 tors. eta vs tors. theta energy: -83.260 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: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -994.687981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.687981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.687981 (E_RNA) where: Base-Base interactions energy: -615.902 where: short stacking energy: -291.562 Base-Backbone interact. energy: -0.522 local terms energy: -378.263985 where: bonds (distance) C4'-P energy: -94.510 bonds (distance) P-C4' energy: -91.281 flat angles C4'-P-C4' energy: -91.088 flat angles P-C4'-P energy: -61.984 tors. eta vs tors. theta energy: -39.400 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: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -815.770364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.770364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.770364 (E_RNA) where: Base-Base interactions energy: -451.420 where: short stacking energy: -243.176 Base-Backbone interact. energy: 0.265 local terms energy: -364.615761 where: bonds (distance) C4'-P energy: -96.513 bonds (distance) P-C4' energy: -102.902 flat angles C4'-P-C4' energy: -108.607 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -512.755852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.755852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.755852 (E_RNA) where: Base-Base interactions energy: -198.372 where: short stacking energy: -139.330 Base-Backbone interact. energy: -0.661 local terms energy: -313.722907 where: bonds (distance) C4'-P energy: -121.212 bonds (distance) P-C4' energy: -83.029 flat angles C4'-P-C4' energy: -81.734 flat angles P-C4'-P energy: -62.227 tors. eta vs tors. theta energy: 34.478 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: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2195.491207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.491207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.491207 (E_RNA) where: Base-Base interactions energy: -1513.918 where: short stacking energy: -664.775 Base-Backbone interact. energy: 0.417 local terms energy: -681.990480 where: bonds (distance) C4'-P energy: -116.257 bonds (distance) P-C4' energy: -125.021 flat angles C4'-P-C4' energy: -151.124 flat angles P-C4'-P energy: -99.670 tors. eta vs tors. theta energy: -189.920 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: 392 Temperature: 0.950000 Total energy: -2107.453594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.453594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.453594 (E_RNA) where: Base-Base interactions energy: -1452.243 where: short stacking energy: -614.737 Base-Backbone interact. energy: -3.607 local terms energy: -651.602874 where: bonds (distance) C4'-P energy: -115.253 bonds (distance) P-C4' energy: -119.271 flat angles C4'-P-C4' energy: -143.812 flat angles P-C4'-P energy: -95.489 tors. eta vs tors. theta energy: -177.779 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: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2035.239228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.239228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.239228 (E_RNA) where: Base-Base interactions energy: -1413.070 where: short stacking energy: -602.363 Base-Backbone interact. energy: -0.740 local terms energy: -621.430049 where: bonds (distance) C4'-P energy: -120.112 bonds (distance) P-C4' energy: -133.207 flat angles C4'-P-C4' energy: -123.088 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: -164.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1780.384361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.384361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.384361 (E_RNA) where: Base-Base interactions energy: -1184.371 where: short stacking energy: -522.218 Base-Backbone interact. energy: -5.711 local terms energy: -590.302384 where: bonds (distance) C4'-P energy: -105.468 bonds (distance) P-C4' energy: -125.947 flat angles C4'-P-C4' energy: -125.027 flat angles P-C4'-P energy: -89.709 tors. eta vs tors. theta energy: -144.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1718.729481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.729481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.729481 (E_RNA) where: Base-Base interactions energy: -1167.010 where: short stacking energy: -508.285 Base-Backbone interact. energy: -3.106 local terms energy: -548.613959 where: bonds (distance) C4'-P energy: -99.069 bonds (distance) P-C4' energy: -104.539 flat angles C4'-P-C4' energy: -138.218 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -116.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1583.744609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.744609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.744609 (E_RNA) where: Base-Base interactions energy: -1035.595 where: short stacking energy: -459.790 Base-Backbone interact. energy: -0.172 local terms energy: -547.977648 where: bonds (distance) C4'-P energy: -101.039 bonds (distance) P-C4' energy: -102.810 flat angles C4'-P-C4' energy: -129.216 flat angles P-C4'-P energy: -95.957 tors. eta vs tors. theta energy: -118.956 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: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1251.729425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.729425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.729425 (E_RNA) where: Base-Base interactions energy: -798.746 where: short stacking energy: -399.235 Base-Backbone interact. energy: -1.376 local terms energy: -451.607072 where: bonds (distance) C4'-P energy: -103.675 bonds (distance) P-C4' energy: -103.718 flat angles C4'-P-C4' energy: -97.960 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: -67.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1026.944838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.944838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.944838 (E_RNA) where: Base-Base interactions energy: -603.510 where: short stacking energy: -308.417 Base-Backbone interact. energy: 7.950 local terms energy: -431.385088 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -105.715 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -69.013 tors. eta vs tors. theta energy: -45.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -788.779615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.779615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.779615 (E_RNA) where: Base-Base interactions energy: -405.912 where: short stacking energy: -203.746 Base-Backbone interact. energy: -4.998 local terms energy: -377.869624 where: bonds (distance) C4'-P energy: -94.236 bonds (distance) P-C4' energy: -117.772 flat angles C4'-P-C4' energy: -106.502 flat angles P-C4'-P energy: -59.838 tors. eta vs tors. theta energy: 0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -506.852273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.852273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.852273 (E_RNA) where: Base-Base interactions energy: -160.244 where: short stacking energy: -125.570 Base-Backbone interact. energy: -0.645 local terms energy: -345.963472 where: bonds (distance) C4'-P energy: -96.385 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -100.504 flat angles P-C4'-P energy: -44.129 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2210.358755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.358755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.358755 (E_RNA) where: Base-Base interactions energy: -1512.760 where: short stacking energy: -665.786 Base-Backbone interact. energy: -1.852 local terms energy: -695.746561 where: bonds (distance) C4'-P energy: -124.569 bonds (distance) P-C4' energy: -123.869 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -100.981 tors. eta vs tors. theta energy: -200.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2125.728272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.728272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.728272 (E_RNA) where: Base-Base interactions energy: -1411.387 where: short stacking energy: -617.042 Base-Backbone interact. energy: -2.318 local terms energy: -712.023894 where: bonds (distance) C4'-P energy: -139.615 bonds (distance) P-C4' energy: -132.163 flat angles C4'-P-C4' energy: -138.897 flat angles P-C4'-P energy: -105.503 tors. eta vs tors. theta energy: -195.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2018.871862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.871862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.871862 (E_RNA) where: Base-Base interactions energy: -1371.110 where: short stacking energy: -597.999 Base-Backbone interact. energy: -1.408 local terms energy: -646.353323 where: bonds (distance) C4'-P energy: -108.062 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -134.895 flat angles P-C4'-P energy: -97.318 tors. eta vs tors. theta energy: -183.753 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: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1794.641111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.641111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.641111 (E_RNA) where: Base-Base interactions energy: -1191.087 where: short stacking energy: -517.390 Base-Backbone interact. energy: -2.003 local terms energy: -601.551212 where: bonds (distance) C4'-P energy: -111.126 bonds (distance) P-C4' energy: -119.279 flat angles C4'-P-C4' energy: -136.740 flat angles P-C4'-P energy: -82.843 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: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1712.876520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.876520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.876520 (E_RNA) where: Base-Base interactions energy: -1169.765 where: short stacking energy: -504.690 Base-Backbone interact. energy: -1.287 local terms energy: -541.823941 where: bonds (distance) C4'-P energy: -109.019 bonds (distance) P-C4' energy: -121.242 flat angles C4'-P-C4' energy: -117.196 flat angles P-C4'-P energy: -58.364 tors. eta vs tors. theta energy: -136.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1614.650652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.650652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.650652 (E_RNA) where: Base-Base interactions energy: -1086.412 where: short stacking energy: -474.034 Base-Backbone interact. energy: -3.137 local terms energy: -525.101131 where: bonds (distance) C4'-P energy: -111.872 bonds (distance) P-C4' energy: -97.159 flat angles C4'-P-C4' energy: -111.654 flat angles P-C4'-P energy: -89.213 tors. eta vs tors. theta energy: -115.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1172.495981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.495981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.495981 (E_RNA) where: Base-Base interactions energy: -730.168 where: short stacking energy: -335.035 Base-Backbone interact. energy: -0.283 local terms energy: -442.044644 where: bonds (distance) C4'-P energy: -106.559 bonds (distance) P-C4' energy: -110.705 flat angles C4'-P-C4' energy: -109.916 flat angles P-C4'-P energy: -60.724 tors. eta vs tors. theta energy: -54.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -982.022311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.022311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.022311 (E_RNA) where: Base-Base interactions energy: -560.788 where: short stacking energy: -306.210 Base-Backbone interact. energy: 2.580 local terms energy: -423.814400 where: bonds (distance) C4'-P energy: -120.673 bonds (distance) P-C4' energy: -85.699 flat angles C4'-P-C4' energy: -104.600 flat angles P-C4'-P energy: -63.616 tors. eta vs tors. theta energy: -49.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -796.428283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.428283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.428283 (E_RNA) where: Base-Base interactions energy: -379.901 where: short stacking energy: -227.785 Base-Backbone interact. energy: 2.504 local terms energy: -419.031420 where: bonds (distance) C4'-P energy: -113.007 bonds (distance) P-C4' energy: -117.702 flat angles C4'-P-C4' energy: -108.794 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: -14.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -480.455860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.455860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.455860 (E_RNA) where: Base-Base interactions energy: -172.868 where: short stacking energy: -154.870 Base-Backbone interact. energy: 2.229 local terms energy: -309.817695 where: bonds (distance) C4'-P energy: -86.157 bonds (distance) P-C4' energy: -108.605 flat angles C4'-P-C4' energy: -83.889 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: 22.357 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: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2222.312093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.312093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.312093 (E_RNA) where: Base-Base interactions energy: -1511.070 where: short stacking energy: -659.824 Base-Backbone interact. energy: -1.725 local terms energy: -709.517315 where: bonds (distance) C4'-P energy: -136.612 bonds (distance) P-C4' energy: -122.908 flat angles C4'-P-C4' energy: -153.999 flat angles P-C4'-P energy: -91.753 tors. eta vs tors. theta energy: -204.245 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2132.812473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.812473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.812473 (E_RNA) where: Base-Base interactions energy: -1460.915 where: short stacking energy: -637.517 Base-Backbone interact. energy: -4.957 local terms energy: -666.940371 where: bonds (distance) C4'-P energy: -120.230 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -132.561 flat angles P-C4'-P energy: -100.189 tors. eta vs tors. theta energy: -190.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1983.659745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.659745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.659745 (E_RNA) where: Base-Base interactions energy: -1347.849 where: short stacking energy: -583.933 Base-Backbone interact. energy: -2.502 local terms energy: -633.308730 where: bonds (distance) C4'-P energy: -127.235 bonds (distance) P-C4' energy: -116.683 flat angles C4'-P-C4' energy: -134.602 flat angles P-C4'-P energy: -94.420 tors. eta vs tors. theta energy: -160.368 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: 394 Temperature: 1.050000 Total energy: -1829.855055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.855055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.855055 (E_RNA) where: Base-Base interactions energy: -1213.726 where: short stacking energy: -541.295 Base-Backbone interact. energy: -1.091 local terms energy: -615.037475 where: bonds (distance) C4'-P energy: -110.969 bonds (distance) P-C4' energy: -126.783 flat angles C4'-P-C4' energy: -126.886 flat angles P-C4'-P energy: -96.878 tors. eta vs tors. theta energy: -153.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1703.330612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.330612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.330612 (E_RNA) where: Base-Base interactions energy: -1148.700 where: short stacking energy: -499.542 Base-Backbone interact. energy: -5.263 local terms energy: -549.367424 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -105.008 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -74.316 tors. eta vs tors. theta energy: -135.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1551.272113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.272113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.272113 (E_RNA) where: Base-Base interactions energy: -1006.210 where: short stacking energy: -451.382 Base-Backbone interact. energy: -0.623 local terms energy: -544.439561 where: bonds (distance) C4'-P energy: -113.629 bonds (distance) P-C4' energy: -112.961 flat angles C4'-P-C4' energy: -126.096 flat angles P-C4'-P energy: -73.115 tors. eta vs tors. theta energy: -118.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1203.863053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.863053 (E_RNA) where: Base-Base interactions energy: -740.552 where: short stacking energy: -363.052 Base-Backbone interact. energy: -1.071 local terms energy: -462.240360 where: bonds (distance) C4'-P energy: -104.526 bonds (distance) P-C4' energy: -103.857 flat angles C4'-P-C4' energy: -116.084 flat angles P-C4'-P energy: -70.930 tors. eta vs tors. theta energy: -66.843 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: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -918.798973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.798973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.798973 (E_RNA) where: Base-Base interactions energy: -518.643 where: short stacking energy: -264.136 Base-Backbone interact. energy: -1.958 local terms energy: -398.197818 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -111.973 flat angles C4'-P-C4' energy: -110.451 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -29.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -741.745115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.745115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.745115 (E_RNA) where: Base-Base interactions energy: -416.283 where: short stacking energy: -213.861 Base-Backbone interact. energy: -0.531 local terms energy: -324.930787 where: bonds (distance) C4'-P energy: -79.464 bonds (distance) P-C4' energy: -100.877 flat angles C4'-P-C4' energy: -95.469 flat angles P-C4'-P energy: -60.513 tors. eta vs tors. theta energy: 11.392 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: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -497.528212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.528212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.528212 (E_RNA) where: Base-Base interactions energy: -198.464 where: short stacking energy: -145.303 Base-Backbone interact. energy: 3.045 local terms energy: -302.108494 where: bonds (distance) C4'-P energy: -89.751 bonds (distance) P-C4' energy: -99.815 flat angles C4'-P-C4' energy: -87.679 flat angles P-C4'-P energy: -45.197 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: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2230.736107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.736107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.736107 (E_RNA) where: Base-Base interactions energy: -1530.829 where: short stacking energy: -682.393 Base-Backbone interact. energy: 2.887 local terms energy: -702.794481 where: bonds (distance) C4'-P energy: -129.972 bonds (distance) P-C4' energy: -131.101 flat angles C4'-P-C4' energy: -152.531 flat angles P-C4'-P energy: -90.562 tors. eta vs tors. theta energy: -198.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2135.167499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.167499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.167499 (E_RNA) where: Base-Base interactions energy: -1476.616 where: short stacking energy: -633.953 Base-Backbone interact. energy: -1.509 local terms energy: -657.043075 where: bonds (distance) C4'-P energy: -117.619 bonds (distance) P-C4' energy: -121.231 flat angles C4'-P-C4' energy: -143.764 flat angles P-C4'-P energy: -88.023 tors. eta vs tors. theta energy: -186.406 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: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1974.109553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.109553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.109553 (E_RNA) where: Base-Base interactions energy: -1354.634 where: short stacking energy: -560.416 Base-Backbone interact. energy: -3.143 local terms energy: -616.331839 where: bonds (distance) C4'-P energy: -124.658 bonds (distance) P-C4' energy: -127.571 flat angles C4'-P-C4' energy: -127.062 flat angles P-C4'-P energy: -85.476 tors. eta vs tors. theta energy: -151.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1844.899067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.899067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.899067 (E_RNA) where: Base-Base interactions energy: -1259.152 where: short stacking energy: -549.611 Base-Backbone interact. energy: -3.485 local terms energy: -582.261891 where: bonds (distance) C4'-P energy: -92.775 bonds (distance) P-C4' energy: -108.429 flat angles C4'-P-C4' energy: -130.992 flat angles P-C4'-P energy: -93.291 tors. eta vs tors. theta energy: -156.775 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: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1726.115831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.115831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.115831 (E_RNA) where: Base-Base interactions energy: -1190.834 where: short stacking energy: -503.510 Base-Backbone interact. energy: 1.695 local terms energy: -536.976304 where: bonds (distance) C4'-P energy: -109.391 bonds (distance) P-C4' energy: -114.273 flat angles C4'-P-C4' energy: -108.784 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -130.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1548.086914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.086914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.086914 (E_RNA) where: Base-Base interactions energy: -1025.374 where: short stacking energy: -456.499 Base-Backbone interact. energy: -2.446 local terms energy: -520.266461 where: bonds (distance) C4'-P energy: -101.618 bonds (distance) P-C4' energy: -121.360 flat angles C4'-P-C4' energy: -111.161 flat angles P-C4'-P energy: -79.265 tors. eta vs tors. theta energy: -106.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1207.525956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.525956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.525956 (E_RNA) where: Base-Base interactions energy: -750.821 where: short stacking energy: -373.025 Base-Backbone interact. energy: 0.149 local terms energy: -456.853638 where: bonds (distance) C4'-P energy: -106.746 bonds (distance) P-C4' energy: -117.853 flat angles C4'-P-C4' energy: -86.362 flat angles P-C4'-P energy: -76.434 tors. eta vs tors. theta energy: -69.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -997.805021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.805021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.805021 (E_RNA) where: Base-Base interactions energy: -584.580 where: short stacking energy: -294.160 Base-Backbone interact. energy: 0.015 local terms energy: -413.240283 where: bonds (distance) C4'-P energy: -85.885 bonds (distance) P-C4' energy: -105.639 flat angles C4'-P-C4' energy: -103.888 flat angles P-C4'-P energy: -77.552 tors. eta vs tors. theta energy: -40.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -814.687106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.687106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.687106 (E_RNA) where: Base-Base interactions energy: -438.071 where: short stacking energy: -237.620 Base-Backbone interact. energy: -3.243 local terms energy: -373.374038 where: bonds (distance) C4'-P energy: -94.650 bonds (distance) P-C4' energy: -105.733 flat angles C4'-P-C4' energy: -110.880 flat angles P-C4'-P energy: -60.586 tors. eta vs tors. theta energy: -1.525 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: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -466.917635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.917635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.917635 (E_RNA) where: Base-Base interactions energy: -152.453 where: short stacking energy: -136.730 Base-Backbone interact. energy: 1.841 local terms energy: -316.305007 where: bonds (distance) C4'-P energy: -109.936 bonds (distance) P-C4' energy: -99.082 flat angles C4'-P-C4' energy: -86.400 flat angles P-C4'-P energy: -41.617 tors. eta vs tors. theta energy: 20.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2179.592337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.592337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.592337 (E_RNA) where: Base-Base interactions energy: -1520.624 where: short stacking energy: -639.189 Base-Backbone interact. energy: 0.793 local terms energy: -659.761472 where: bonds (distance) C4'-P energy: -121.609 bonds (distance) P-C4' energy: -123.784 flat angles C4'-P-C4' energy: -135.392 flat angles P-C4'-P energy: -88.028 tors. eta vs tors. theta energy: -190.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2170.113099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.113099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.113099 (E_RNA) where: Base-Base interactions energy: -1494.459 where: short stacking energy: -638.710 Base-Backbone interact. energy: -1.694 local terms energy: -673.960037 where: bonds (distance) C4'-P energy: -132.641 bonds (distance) P-C4' energy: -107.855 flat angles C4'-P-C4' energy: -140.146 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -196.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1985.707199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.707199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.707199 (E_RNA) where: Base-Base interactions energy: -1376.824 where: short stacking energy: -566.196 Base-Backbone interact. energy: -0.738 local terms energy: -608.145052 where: bonds (distance) C4'-P energy: -112.461 bonds (distance) P-C4' energy: -124.260 flat angles C4'-P-C4' energy: -136.732 flat angles P-C4'-P energy: -85.617 tors. eta vs tors. theta energy: -149.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1786.407628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.407628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.407628 (E_RNA) where: Base-Base interactions energy: -1211.624 where: short stacking energy: -536.050 Base-Backbone interact. energy: -0.337 local terms energy: -574.446874 where: bonds (distance) C4'-P energy: -108.712 bonds (distance) P-C4' energy: -111.942 flat angles C4'-P-C4' energy: -114.296 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -146.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1722.313972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.313972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.313972 (E_RNA) where: Base-Base interactions energy: -1166.148 where: short stacking energy: -505.296 Base-Backbone interact. energy: -3.496 local terms energy: -552.669007 where: bonds (distance) C4'-P energy: -110.672 bonds (distance) P-C4' energy: -110.274 flat angles C4'-P-C4' energy: -116.793 flat angles P-C4'-P energy: -72.486 tors. eta vs tors. theta energy: -142.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1506.446875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.446875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.446875 (E_RNA) where: Base-Base interactions energy: -1014.096 where: short stacking energy: -422.493 Base-Backbone interact. energy: 0.088 local terms energy: -492.438556 where: bonds (distance) C4'-P energy: -87.809 bonds (distance) P-C4' energy: -105.520 flat angles C4'-P-C4' energy: -120.808 flat angles P-C4'-P energy: -81.470 tors. eta vs tors. theta energy: -96.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1179.280147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.280147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.280147 (E_RNA) where: Base-Base interactions energy: -701.376 where: short stacking energy: -352.959 Base-Backbone interact. energy: -4.252 local terms energy: -473.652908 where: bonds (distance) C4'-P energy: -114.612 bonds (distance) P-C4' energy: -119.491 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -83.292 tors. eta vs tors. theta energy: -56.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -959.272152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.272152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.272152 (E_RNA) where: Base-Base interactions energy: -536.657 where: short stacking energy: -279.204 Base-Backbone interact. energy: -1.472 local terms energy: -421.142955 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -95.522 flat angles C4'-P-C4' energy: -107.288 flat angles P-C4'-P energy: -51.691 tors. eta vs tors. theta energy: -48.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -810.643292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.643292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.643292 (E_RNA) where: Base-Base interactions energy: -449.876 where: short stacking energy: -244.534 Base-Backbone interact. energy: 5.151 local terms energy: -365.918389 where: bonds (distance) C4'-P energy: -101.250 bonds (distance) P-C4' energy: -93.744 flat angles C4'-P-C4' energy: -86.950 flat angles P-C4'-P energy: -64.880 tors. eta vs tors. theta energy: -19.095 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: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -480.415781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.415781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.415781 (E_RNA) where: Base-Base interactions energy: -173.006 where: short stacking energy: -138.760 Base-Backbone interact. energy: 0.810 local terms energy: -308.220115 where: bonds (distance) C4'-P energy: -99.877 bonds (distance) P-C4' energy: -113.546 flat angles C4'-P-C4' energy: -79.662 flat angles P-C4'-P energy: -34.784 tors. eta vs tors. theta energy: 19.649 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: 397 Temperature: 0.900000 Total energy: -2209.190497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.190497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.190497 (E_RNA) where: Base-Base interactions energy: -1520.111 where: short stacking energy: -664.652 Base-Backbone interact. energy: -1.641 local terms energy: -687.438438 where: bonds (distance) C4'-P energy: -125.965 bonds (distance) P-C4' energy: -125.505 flat angles C4'-P-C4' energy: -142.726 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -195.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2124.336665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.336665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.336665 (E_RNA) where: Base-Base interactions energy: -1456.823 where: short stacking energy: -629.662 Base-Backbone interact. energy: -2.441 local terms energy: -665.073199 where: bonds (distance) C4'-P energy: -115.322 bonds (distance) P-C4' energy: -122.023 flat angles C4'-P-C4' energy: -142.649 flat angles P-C4'-P energy: -102.302 tors. eta vs tors. theta energy: -182.776 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: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2003.934787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.934787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.934787 (E_RNA) where: Base-Base interactions energy: -1372.607 where: short stacking energy: -588.504 Base-Backbone interact. energy: 2.146 local terms energy: -633.473168 where: bonds (distance) C4'-P energy: -119.319 bonds (distance) P-C4' energy: -124.971 flat angles C4'-P-C4' energy: -132.133 flat angles P-C4'-P energy: -86.431 tors. eta vs tors. theta energy: -170.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1839.670360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.670360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.670360 (E_RNA) where: Base-Base interactions energy: -1265.463 where: short stacking energy: -560.821 Base-Backbone interact. energy: 6.167 local terms energy: -580.374263 where: bonds (distance) C4'-P energy: -116.524 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -115.194 flat angles P-C4'-P energy: -88.381 tors. eta vs tors. theta energy: -157.800 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: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1718.203230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.203230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.203230 (E_RNA) where: Base-Base interactions energy: -1162.110 where: short stacking energy: -483.050 Base-Backbone interact. energy: -4.858 local terms energy: -551.234826 where: bonds (distance) C4'-P energy: -93.831 bonds (distance) P-C4' energy: -124.945 flat angles C4'-P-C4' energy: -127.535 flat angles P-C4'-P energy: -68.447 tors. eta vs tors. theta energy: -136.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1542.796037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.796037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.796037 (E_RNA) where: Base-Base interactions energy: -1026.818 where: short stacking energy: -449.260 Base-Backbone interact. energy: 0.124 local terms energy: -516.101867 where: bonds (distance) C4'-P energy: -98.605 bonds (distance) P-C4' energy: -115.089 flat angles C4'-P-C4' energy: -114.610 flat angles P-C4'-P energy: -84.451 tors. eta vs tors. theta energy: -103.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1185.321392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.321392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.321392 (E_RNA) where: Base-Base interactions energy: -748.813 where: short stacking energy: -387.319 Base-Backbone interact. energy: -1.804 local terms energy: -434.704950 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -105.262 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -69.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -917.326249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.326249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.326249 (E_RNA) where: Base-Base interactions energy: -489.949 where: short stacking energy: -279.569 Base-Backbone interact. energy: -1.200 local terms energy: -426.177619 where: bonds (distance) C4'-P energy: -113.987 bonds (distance) P-C4' energy: -99.965 flat angles C4'-P-C4' energy: -116.084 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: -38.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -761.025849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.025849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.025849 (E_RNA) where: Base-Base interactions energy: -391.019 where: short stacking energy: -221.948 Base-Backbone interact. energy: 1.173 local terms energy: -371.179698 where: bonds (distance) C4'-P energy: -94.782 bonds (distance) P-C4' energy: -108.571 flat angles C4'-P-C4' energy: -88.577 flat angles P-C4'-P energy: -58.542 tors. eta vs tors. theta energy: -20.709 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -491.689629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.689629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.689629 (E_RNA) where: Base-Base interactions energy: -163.333 where: short stacking energy: -128.430 Base-Backbone interact. energy: -0.665 local terms energy: -327.692583 where: bonds (distance) C4'-P energy: -107.161 bonds (distance) P-C4' energy: -112.071 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: 22.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2218.842801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.842801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.842801 (E_RNA) where: Base-Base interactions energy: -1509.912 where: short stacking energy: -644.201 Base-Backbone interact. energy: -1.345 local terms energy: -707.585737 where: bonds (distance) C4'-P energy: -131.374 bonds (distance) P-C4' energy: -129.587 flat angles C4'-P-C4' energy: -147.387 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -197.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2136.921128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.921128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.921128 (E_RNA) where: Base-Base interactions energy: -1463.601 where: short stacking energy: -632.514 Base-Backbone interact. energy: -5.180 local terms energy: -668.140738 where: bonds (distance) C4'-P energy: -124.609 bonds (distance) P-C4' energy: -113.949 flat angles C4'-P-C4' energy: -135.506 flat angles P-C4'-P energy: -101.949 tors. eta vs tors. theta energy: -192.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1967.060207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.060207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.060207 (E_RNA) where: Base-Base interactions energy: -1313.583 where: short stacking energy: -543.249 Base-Backbone interact. energy: -2.435 local terms energy: -651.042102 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -133.708 flat angles C4'-P-C4' energy: -130.105 flat angles P-C4'-P energy: -94.450 tors. eta vs tors. theta energy: -158.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1866.272543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.272543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.272543 (E_RNA) where: Base-Base interactions energy: -1262.216 where: short stacking energy: -540.817 Base-Backbone interact. energy: -0.877 local terms energy: -603.180178 where: bonds (distance) C4'-P energy: -115.110 bonds (distance) P-C4' energy: -126.548 flat angles C4'-P-C4' energy: -130.293 flat angles P-C4'-P energy: -88.585 tors. eta vs tors. theta energy: -142.645 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: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1744.858773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.858773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.858773 (E_RNA) where: Base-Base interactions energy: -1183.563 where: short stacking energy: -511.031 Base-Backbone interact. energy: -0.049 local terms energy: -561.246900 where: bonds (distance) C4'-P energy: -107.223 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -130.093 flat angles P-C4'-P energy: -60.217 tors. eta vs tors. theta energy: -130.778 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: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1578.528607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.528607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.528607 (E_RNA) where: Base-Base interactions energy: -1026.409 where: short stacking energy: -436.179 Base-Backbone interact. energy: -0.441 local terms energy: -551.678835 where: bonds (distance) C4'-P energy: -112.064 bonds (distance) P-C4' energy: -104.593 flat angles C4'-P-C4' energy: -119.007 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: -129.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1178.994077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.994077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.994077 (E_RNA) where: Base-Base interactions energy: -732.920 where: short stacking energy: -351.812 Base-Backbone interact. energy: -2.772 local terms energy: -443.302056 where: bonds (distance) C4'-P energy: -107.771 bonds (distance) P-C4' energy: -104.475 flat angles C4'-P-C4' energy: -105.847 flat angles P-C4'-P energy: -74.338 tors. eta vs tors. theta energy: -50.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -980.963240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.963240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.963240 (E_RNA) where: Base-Base interactions energy: -570.056 where: short stacking energy: -279.757 Base-Backbone interact. energy: -3.300 local terms energy: -407.606996 where: bonds (distance) C4'-P energy: -100.170 bonds (distance) P-C4' energy: -101.913 flat angles C4'-P-C4' energy: -98.504 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -42.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -757.011512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.011512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.011512 (E_RNA) where: Base-Base interactions energy: -398.928 where: short stacking energy: -210.591 Base-Backbone interact. energy: -1.745 local terms energy: -356.338293 where: bonds (distance) C4'-P energy: -102.093 bonds (distance) P-C4' energy: -102.621 flat angles C4'-P-C4' energy: -92.095 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -7.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -512.016522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.016522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.016522 (E_RNA) where: Base-Base interactions energy: -172.407 where: short stacking energy: -139.493 Base-Backbone interact. energy: 1.860 local terms energy: -341.469727 where: bonds (distance) C4'-P energy: -99.725 bonds (distance) P-C4' energy: -111.571 flat angles C4'-P-C4' energy: -93.658 flat angles P-C4'-P energy: -61.581 tors. eta vs tors. theta energy: 25.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2194.703486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.703486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.703486 (E_RNA) where: Base-Base interactions energy: -1544.342 where: short stacking energy: -654.933 Base-Backbone interact. energy: -5.744 local terms energy: -644.617946 where: bonds (distance) C4'-P energy: -112.472 bonds (distance) P-C4' energy: -122.722 flat angles C4'-P-C4' energy: -136.825 flat angles P-C4'-P energy: -88.689 tors. eta vs tors. theta energy: -183.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2155.060625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.060625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.060625 (E_RNA) where: Base-Base interactions energy: -1476.839 where: short stacking energy: -635.007 Base-Backbone interact. energy: -2.939 local terms energy: -675.281946 where: bonds (distance) C4'-P energy: -112.921 bonds (distance) P-C4' energy: -123.249 flat angles C4'-P-C4' energy: -143.576 flat angles P-C4'-P energy: -96.214 tors. eta vs tors. theta energy: -199.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1964.358747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.358747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.358747 (E_RNA) where: Base-Base interactions energy: -1345.035 where: short stacking energy: -573.243 Base-Backbone interact. energy: 1.433 local terms energy: -620.756459 where: bonds (distance) C4'-P energy: -106.810 bonds (distance) P-C4' energy: -125.475 flat angles C4'-P-C4' energy: -143.506 flat angles P-C4'-P energy: -86.339 tors. eta vs tors. theta energy: -158.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1845.120435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.120435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.120435 (E_RNA) where: Base-Base interactions energy: -1265.290 where: short stacking energy: -539.575 Base-Backbone interact. energy: -2.991 local terms energy: -576.839915 where: bonds (distance) C4'-P energy: -115.384 bonds (distance) P-C4' energy: -117.026 flat angles C4'-P-C4' energy: -121.798 flat angles P-C4'-P energy: -79.843 tors. eta vs tors. theta energy: -142.789 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: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1773.279807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.279807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.279807 (E_RNA) where: Base-Base interactions energy: -1215.052 where: short stacking energy: -511.359 Base-Backbone interact. energy: -4.599 local terms energy: -553.628316 where: bonds (distance) C4'-P energy: -110.171 bonds (distance) P-C4' energy: -120.294 flat angles C4'-P-C4' energy: -122.665 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -134.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1624.475448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.475448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.475448 (E_RNA) where: Base-Base interactions energy: -1072.711 where: short stacking energy: -483.966 Base-Backbone interact. energy: -4.135 local terms energy: -547.629294 where: bonds (distance) C4'-P energy: -112.770 bonds (distance) P-C4' energy: -114.369 flat angles C4'-P-C4' energy: -117.994 flat angles P-C4'-P energy: -89.333 tors. eta vs tors. theta energy: -113.164 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: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1223.141659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.141659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.141659 (E_RNA) where: Base-Base interactions energy: -780.621 where: short stacking energy: -336.305 Base-Backbone interact. energy: 3.516 local terms energy: -446.037218 where: bonds (distance) C4'-P energy: -108.601 bonds (distance) P-C4' energy: -100.631 flat angles C4'-P-C4' energy: -105.253 flat angles P-C4'-P energy: -63.176 tors. eta vs tors. theta energy: -68.375 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: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -986.382894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.382894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.382894 (E_RNA) where: Base-Base interactions energy: -581.066 where: short stacking energy: -278.226 Base-Backbone interact. energy: 0.878 local terms energy: -406.194251 where: bonds (distance) C4'-P energy: -85.272 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -119.123 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -48.012 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: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -744.116872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.116872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.116872 (E_RNA) where: Base-Base interactions energy: -352.048 where: short stacking energy: -209.639 Base-Backbone interact. energy: -1.553 local terms energy: -390.516128 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -102.365 flat angles C4'-P-C4' energy: -95.569 flat angles P-C4'-P energy: -65.567 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: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -487.096309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.096309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.096309 (E_RNA) where: Base-Base interactions energy: -176.405 where: short stacking energy: -135.214 Base-Backbone interact. energy: -1.413 local terms energy: -309.277935 where: bonds (distance) C4'-P energy: -89.409 bonds (distance) P-C4' energy: -104.255 flat angles C4'-P-C4' energy: -82.718 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: 24.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2189.599961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.599961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.599961 (E_RNA) where: Base-Base interactions energy: -1495.051 where: short stacking energy: -639.239 Base-Backbone interact. energy: -3.123 local terms energy: -691.426194 where: bonds (distance) C4'-P energy: -129.222 bonds (distance) P-C4' energy: -132.538 flat angles C4'-P-C4' energy: -146.564 flat angles P-C4'-P energy: -98.215 tors. eta vs tors. theta energy: -184.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2203.952347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.952347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.952347 (E_RNA) where: Base-Base interactions energy: -1504.453 where: short stacking energy: -641.044 Base-Backbone interact. energy: -1.114 local terms energy: -698.385690 where: bonds (distance) C4'-P energy: -137.079 bonds (distance) P-C4' energy: -133.235 flat angles C4'-P-C4' energy: -142.797 flat angles P-C4'-P energy: -87.402 tors. eta vs tors. theta energy: -197.874 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1990.900336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.900336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.900336 (E_RNA) where: Base-Base interactions energy: -1364.850 where: short stacking energy: -583.426 Base-Backbone interact. energy: -2.149 local terms energy: -623.901997 where: bonds (distance) C4'-P energy: -110.646 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -133.843 flat angles P-C4'-P energy: -98.093 tors. eta vs tors. theta energy: -164.094 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1816.468621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.468621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.468621 (E_RNA) where: Base-Base interactions energy: -1226.780 where: short stacking energy: -524.509 Base-Backbone interact. energy: -0.623 local terms energy: -589.065534 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -120.973 flat angles C4'-P-C4' energy: -119.991 flat angles P-C4'-P energy: -82.588 tors. eta vs tors. theta energy: -141.882 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: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1722.708398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.708398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.708398 (E_RNA) where: Base-Base interactions energy: -1151.681 where: short stacking energy: -507.570 Base-Backbone interact. energy: 0.407 local terms energy: -571.434245 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -112.516 flat angles C4'-P-C4' energy: -123.525 flat angles P-C4'-P energy: -90.106 tors. eta vs tors. theta energy: -122.609 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: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1602.753102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.753102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.753102 (E_RNA) where: Base-Base interactions energy: -1071.514 where: short stacking energy: -471.681 Base-Backbone interact. energy: -1.434 local terms energy: -529.805423 where: bonds (distance) C4'-P energy: -110.943 bonds (distance) P-C4' energy: -97.488 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -74.897 tors. eta vs tors. theta energy: -131.711 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: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1217.760636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.760636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.760636 (E_RNA) where: Base-Base interactions energy: -755.525 where: short stacking energy: -347.421 Base-Backbone interact. energy: 2.176 local terms energy: -464.411428 where: bonds (distance) C4'-P energy: -98.976 bonds (distance) P-C4' energy: -118.546 flat angles C4'-P-C4' energy: -101.530 flat angles P-C4'-P energy: -68.759 tors. eta vs tors. theta energy: -76.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -921.694866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.694866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.694866 (E_RNA) where: Base-Base interactions energy: -506.941 where: short stacking energy: -269.816 Base-Backbone interact. energy: -2.359 local terms energy: -412.395099 where: bonds (distance) C4'-P energy: -105.327 bonds (distance) P-C4' energy: -98.037 flat angles C4'-P-C4' energy: -118.203 flat angles P-C4'-P energy: -71.516 tors. eta vs tors. theta energy: -19.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -767.367647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.367647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.367647 (E_RNA) where: Base-Base interactions energy: -402.229 where: short stacking energy: -247.980 Base-Backbone interact. energy: -0.292 local terms energy: -364.846435 where: bonds (distance) C4'-P energy: -111.214 bonds (distance) P-C4' energy: -102.123 flat angles C4'-P-C4' energy: -76.458 flat angles P-C4'-P energy: -61.281 tors. eta vs tors. theta energy: -13.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -477.101310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.101310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.101310 (E_RNA) where: Base-Base interactions energy: -131.739 where: short stacking energy: -122.756 Base-Backbone interact. energy: 2.156 local terms energy: -347.518660 where: bonds (distance) C4'-P energy: -103.718 bonds (distance) P-C4' energy: -105.341 flat angles C4'-P-C4' energy: -107.885 flat angles P-C4'-P energy: -52.860 tors. eta vs tors. theta energy: 22.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2226.402192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.402192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.402192 (E_RNA) where: Base-Base interactions energy: -1526.488 where: short stacking energy: -651.842 Base-Backbone interact. energy: -4.612 local terms energy: -695.302149 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -121.897 flat angles C4'-P-C4' energy: -144.128 flat angles P-C4'-P energy: -109.229 tors. eta vs tors. theta energy: -189.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2169.188608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.188608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.188608 (E_RNA) where: Base-Base interactions energy: -1513.711 where: short stacking energy: -636.173 Base-Backbone interact. energy: -1.352 local terms energy: -654.125657 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -131.282 flat angles C4'-P-C4' energy: -140.715 flat angles P-C4'-P energy: -87.065 tors. eta vs tors. theta energy: -191.767 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: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1977.247514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.247514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.247514 (E_RNA) where: Base-Base interactions energy: -1338.644 where: short stacking energy: -598.354 Base-Backbone interact. energy: -2.294 local terms energy: -636.308816 where: bonds (distance) C4'-P energy: -117.604 bonds (distance) P-C4' energy: -129.989 flat angles C4'-P-C4' energy: -135.394 flat angles P-C4'-P energy: -80.207 tors. eta vs tors. theta energy: -173.114 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: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1875.722876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.722876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.722876 (E_RNA) where: Base-Base interactions energy: -1284.768 where: short stacking energy: -564.204 Base-Backbone interact. energy: -1.520 local terms energy: -589.435089 where: bonds (distance) C4'-P energy: -115.789 bonds (distance) P-C4' energy: -122.238 flat angles C4'-P-C4' energy: -129.195 flat angles P-C4'-P energy: -71.990 tors. eta vs tors. theta energy: -150.224 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: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1787.723639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.723639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.723639 (E_RNA) where: Base-Base interactions energy: -1173.115 where: short stacking energy: -545.620 Base-Backbone interact. energy: 0.220 local terms energy: -614.828569 where: bonds (distance) C4'-P energy: -95.604 bonds (distance) P-C4' energy: -129.485 flat angles C4'-P-C4' energy: -140.179 flat angles P-C4'-P energy: -86.812 tors. eta vs tors. theta energy: -162.748 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: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1621.987326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.987326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.987326 (E_RNA) where: Base-Base interactions energy: -1087.461 where: short stacking energy: -462.912 Base-Backbone interact. energy: 1.642 local terms energy: -536.167784 where: bonds (distance) C4'-P energy: -96.990 bonds (distance) P-C4' energy: -105.385 flat angles C4'-P-C4' energy: -119.103 flat angles P-C4'-P energy: -83.338 tors. eta vs tors. theta energy: -131.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1267.547867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.547867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.547867 (E_RNA) where: Base-Base interactions energy: -785.968 where: short stacking energy: -390.865 Base-Backbone interact. energy: -3.075 local terms energy: -478.505050 where: bonds (distance) C4'-P energy: -99.849 bonds (distance) P-C4' energy: -99.288 flat angles C4'-P-C4' energy: -118.722 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: -88.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -961.616459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.616459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.616459 (E_RNA) where: Base-Base interactions energy: -543.993 where: short stacking energy: -286.495 Base-Backbone interact. energy: -2.426 local terms energy: -415.197957 where: bonds (distance) C4'-P energy: -106.592 bonds (distance) P-C4' energy: -105.038 flat angles C4'-P-C4' energy: -93.558 flat angles P-C4'-P energy: -70.014 tors. eta vs tors. theta energy: -39.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -767.881203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.881203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.881203 (E_RNA) where: Base-Base interactions energy: -408.639 where: short stacking energy: -223.325 Base-Backbone interact. energy: -0.082 local terms energy: -359.160654 where: bonds (distance) C4'-P energy: -112.499 bonds (distance) P-C4' energy: -86.604 flat angles C4'-P-C4' energy: -98.212 flat angles P-C4'-P energy: -53.536 tors. eta vs tors. theta energy: -8.309 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: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -490.851665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.851665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.851665 (E_RNA) where: Base-Base interactions energy: -184.305 where: short stacking energy: -164.954 Base-Backbone interact. energy: -1.377 local terms energy: -305.169581 where: bonds (distance) C4'-P energy: -101.942 bonds (distance) P-C4' energy: -86.397 flat angles C4'-P-C4' energy: -79.363 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: 12.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2241.891881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.891881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.891881 (E_RNA) where: Base-Base interactions energy: -1539.134 where: short stacking energy: -659.921 Base-Backbone interact. energy: -2.565 local terms energy: -700.192773 where: bonds (distance) C4'-P energy: -120.566 bonds (distance) P-C4' energy: -123.951 flat angles C4'-P-C4' energy: -150.662 flat angles P-C4'-P energy: -100.772 tors. eta vs tors. theta energy: -204.242 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: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2152.955336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.955336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.955336 (E_RNA) where: Base-Base interactions energy: -1504.950 where: short stacking energy: -629.771 Base-Backbone interact. energy: 0.787 local terms energy: -648.791914 where: bonds (distance) C4'-P energy: -126.757 bonds (distance) P-C4' energy: -118.294 flat angles C4'-P-C4' energy: -130.276 flat angles P-C4'-P energy: -87.475 tors. eta vs tors. theta energy: -185.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1993.605933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.605933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.605933 (E_RNA) where: Base-Base interactions energy: -1368.419 where: short stacking energy: -603.825 Base-Backbone interact. energy: -1.361 local terms energy: -623.825785 where: bonds (distance) C4'-P energy: -111.393 bonds (distance) P-C4' energy: -104.714 flat angles C4'-P-C4' energy: -147.586 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -169.836 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: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1825.751227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.751227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.751227 (E_RNA) where: Base-Base interactions energy: -1239.336 where: short stacking energy: -532.045 Base-Backbone interact. energy: -2.920 local terms energy: -583.494518 where: bonds (distance) C4'-P energy: -121.787 bonds (distance) P-C4' energy: -107.906 flat angles C4'-P-C4' energy: -124.568 flat angles P-C4'-P energy: -94.530 tors. eta vs tors. theta energy: -134.703 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: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1715.977931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.977931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.977931 (E_RNA) where: Base-Base interactions energy: -1145.541 where: short stacking energy: -501.013 Base-Backbone interact. energy: -0.230 local terms energy: -570.206192 where: bonds (distance) C4'-P energy: -113.532 bonds (distance) P-C4' energy: -107.056 flat angles C4'-P-C4' energy: -135.941 flat angles P-C4'-P energy: -78.611 tors. eta vs tors. theta energy: -135.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1666.014293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.014293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.014293 (E_RNA) where: Base-Base interactions energy: -1105.699 where: short stacking energy: -476.882 Base-Backbone interact. energy: 0.535 local terms energy: -560.850789 where: bonds (distance) C4'-P energy: -90.863 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -136.446 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -148.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1259.225264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.225264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.225264 (E_RNA) where: Base-Base interactions energy: -790.819 where: short stacking energy: -386.113 Base-Backbone interact. energy: 1.590 local terms energy: -469.995807 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -64.876 tors. eta vs tors. theta energy: -70.196 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: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -897.741651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.741651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.741651 (E_RNA) where: Base-Base interactions energy: -459.408 where: short stacking energy: -260.192 Base-Backbone interact. energy: -1.475 local terms energy: -436.858848 where: bonds (distance) C4'-P energy: -111.647 bonds (distance) P-C4' energy: -116.203 flat angles C4'-P-C4' energy: -106.817 flat angles P-C4'-P energy: -48.520 tors. eta vs tors. theta energy: -53.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -783.942038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.942038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.942038 (E_RNA) where: Base-Base interactions energy: -390.133 where: short stacking energy: -236.350 Base-Backbone interact. energy: -1.694 local terms energy: -392.114804 where: bonds (distance) C4'-P energy: -99.431 bonds (distance) P-C4' energy: -106.529 flat angles C4'-P-C4' energy: -105.689 flat angles P-C4'-P energy: -75.663 tors. eta vs tors. theta energy: -4.802 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: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -479.792966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.792966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.792966 (E_RNA) where: Base-Base interactions energy: -157.745 where: short stacking energy: -129.810 Base-Backbone interact. energy: -2.319 local terms energy: -319.729334 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -108.651 flat angles C4'-P-C4' energy: -78.576 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: 30.698 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: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2226.050189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.050189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.050189 (E_RNA) where: Base-Base interactions energy: -1517.264 where: short stacking energy: -659.242 Base-Backbone interact. energy: -0.443 local terms energy: -708.344018 where: bonds (distance) C4'-P energy: -134.272 bonds (distance) P-C4' energy: -137.104 flat angles C4'-P-C4' energy: -151.240 flat angles P-C4'-P energy: -99.496 tors. eta vs tors. theta energy: -186.232 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: 403 Temperature: 0.950000 Total energy: -2142.188041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.188041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.188041 (E_RNA) where: Base-Base interactions energy: -1474.681 where: short stacking energy: -629.911 Base-Backbone interact. energy: -3.257 local terms energy: -664.250866 where: bonds (distance) C4'-P energy: -122.943 bonds (distance) P-C4' energy: -128.216 flat angles C4'-P-C4' energy: -130.897 flat angles P-C4'-P energy: -88.927 tors. eta vs tors. theta energy: -193.268 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: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1994.425169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.425169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.425169 (E_RNA) where: Base-Base interactions energy: -1342.521 where: short stacking energy: -583.887 Base-Backbone interact. energy: 0.138 local terms energy: -652.042129 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -131.592 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -78.632 tors. eta vs tors. theta energy: -170.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1775.813471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.813471 (E_RNA) where: Base-Base interactions energy: -1205.332 where: short stacking energy: -489.400 Base-Backbone interact. energy: -1.177 local terms energy: -569.304205 where: bonds (distance) C4'-P energy: -113.144 bonds (distance) P-C4' energy: -114.584 flat angles C4'-P-C4' energy: -129.464 flat angles P-C4'-P energy: -94.111 tors. eta vs tors. theta energy: -118.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1721.165330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.165330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.165330 (E_RNA) where: Base-Base interactions energy: -1115.067 where: short stacking energy: -502.590 Base-Backbone interact. energy: 0.211 local terms energy: -606.308648 where: bonds (distance) C4'-P energy: -122.012 bonds (distance) P-C4' energy: -128.359 flat angles C4'-P-C4' energy: -127.669 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -151.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1660.012092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.012092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.012092 (E_RNA) where: Base-Base interactions energy: -1119.325 where: short stacking energy: -483.103 Base-Backbone interact. energy: 4.525 local terms energy: -545.212601 where: bonds (distance) C4'-P energy: -104.217 bonds (distance) P-C4' energy: -114.401 flat angles C4'-P-C4' energy: -98.689 flat angles P-C4'-P energy: -91.256 tors. eta vs tors. theta energy: -136.649 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: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1234.073387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.073387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.073387 (E_RNA) where: Base-Base interactions energy: -773.054 where: short stacking energy: -362.250 Base-Backbone interact. energy: -4.731 local terms energy: -456.288615 where: bonds (distance) C4'-P energy: -109.572 bonds (distance) P-C4' energy: -105.410 flat angles C4'-P-C4' energy: -115.310 flat angles P-C4'-P energy: -67.185 tors. eta vs tors. theta energy: -58.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -836.524595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.524595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.524595 (E_RNA) where: Base-Base interactions energy: -437.058 where: short stacking energy: -258.213 Base-Backbone interact. energy: -0.098 local terms energy: -399.368107 where: bonds (distance) C4'-P energy: -110.998 bonds (distance) P-C4' energy: -121.425 flat angles C4'-P-C4' energy: -88.281 flat angles P-C4'-P energy: -64.273 tors. eta vs tors. theta energy: -14.390 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: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -857.102532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.102532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.102532 (E_RNA) where: Base-Base interactions energy: -464.387 where: short stacking energy: -261.717 Base-Backbone interact. energy: -3.193 local terms energy: -389.522668 where: bonds (distance) C4'-P energy: -90.538 bonds (distance) P-C4' energy: -104.085 flat angles C4'-P-C4' energy: -108.755 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -30.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -537.629462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.629462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.629462 (E_RNA) where: Base-Base interactions energy: -194.110 where: short stacking energy: -137.541 Base-Backbone interact. energy: -2.829 local terms energy: -340.690191 where: bonds (distance) C4'-P energy: -121.529 bonds (distance) P-C4' energy: -97.385 flat angles C4'-P-C4' energy: -83.936 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: 20.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2246.292336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.292336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.292336 (E_RNA) where: Base-Base interactions energy: -1546.007 where: short stacking energy: -658.147 Base-Backbone interact. energy: -3.038 local terms energy: -697.248182 where: bonds (distance) C4'-P energy: -116.078 bonds (distance) P-C4' energy: -132.005 flat angles C4'-P-C4' energy: -141.959 flat angles P-C4'-P energy: -106.215 tors. eta vs tors. theta energy: -200.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2123.106060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.106060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.106060 (E_RNA) where: Base-Base interactions energy: -1469.110 where: short stacking energy: -607.825 Base-Backbone interact. energy: -6.848 local terms energy: -647.148176 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -119.528 flat angles C4'-P-C4' energy: -140.427 flat angles P-C4'-P energy: -70.719 tors. eta vs tors. theta energy: -185.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2015.960756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.960756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.960756 (E_RNA) where: Base-Base interactions energy: -1377.826 where: short stacking energy: -564.048 Base-Backbone interact. energy: -2.514 local terms energy: -635.620900 where: bonds (distance) C4'-P energy: -123.822 bonds (distance) P-C4' energy: -119.337 flat angles C4'-P-C4' energy: -132.323 flat angles P-C4'-P energy: -93.648 tors. eta vs tors. theta energy: -166.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1809.684276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.684276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.684276 (E_RNA) where: Base-Base interactions energy: -1194.605 where: short stacking energy: -555.679 Base-Backbone interact. energy: -2.771 local terms energy: -612.307462 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -126.483 flat angles C4'-P-C4' energy: -136.645 flat angles P-C4'-P energy: -101.056 tors. eta vs tors. theta energy: -143.231 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: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1775.149106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.149106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.149106 (E_RNA) where: Base-Base interactions energy: -1181.020 where: short stacking energy: -503.401 Base-Backbone interact. energy: -1.379 local terms energy: -592.749373 where: bonds (distance) C4'-P energy: -112.383 bonds (distance) P-C4' energy: -122.470 flat angles C4'-P-C4' energy: -119.597 flat angles P-C4'-P energy: -94.504 tors. eta vs tors. theta energy: -143.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1659.430258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.430258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.430258 (E_RNA) where: Base-Base interactions energy: -1130.861 where: short stacking energy: -483.589 Base-Backbone interact. energy: -1.367 local terms energy: -527.202628 where: bonds (distance) C4'-P energy: -95.100 bonds (distance) P-C4' energy: -99.933 flat angles C4'-P-C4' energy: -130.469 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -126.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1212.461534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.461534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.461534 (E_RNA) where: Base-Base interactions energy: -739.036 where: short stacking energy: -347.985 Base-Backbone interact. energy: 4.086 local terms energy: -477.511749 where: bonds (distance) C4'-P energy: -93.254 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -115.491 flat angles P-C4'-P energy: -89.266 tors. eta vs tors. theta energy: -63.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -886.506976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.506976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.506976 (E_RNA) where: Base-Base interactions energy: -472.733 where: short stacking energy: -248.304 Base-Backbone interact. energy: -3.183 local terms energy: -410.590465 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -105.997 flat angles P-C4'-P energy: -61.166 tors. eta vs tors. theta energy: -25.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -802.011831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.011831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.011831 (E_RNA) where: Base-Base interactions energy: -405.331 where: short stacking energy: -213.432 Base-Backbone interact. energy: 0.223 local terms energy: -396.904066 where: bonds (distance) C4'-P energy: -88.871 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -106.571 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -16.102 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -488.418553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.418553 (E_RNA) where: Base-Base interactions energy: -198.750 where: short stacking energy: -142.848 Base-Backbone interact. energy: 7.209 local terms energy: -296.876738 where: bonds (distance) C4'-P energy: -96.203 bonds (distance) P-C4' energy: -109.997 flat angles C4'-P-C4' energy: -71.729 flat angles P-C4'-P energy: -38.474 tors. eta vs tors. theta energy: 19.525 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: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2225.995019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.995019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.995019 (E_RNA) where: Base-Base interactions energy: -1524.738 where: short stacking energy: -682.849 Base-Backbone interact. energy: 0.583 local terms energy: -701.839987 where: bonds (distance) C4'-P energy: -119.731 bonds (distance) P-C4' energy: -118.364 flat angles C4'-P-C4' energy: -153.833 flat angles P-C4'-P energy: -99.838 tors. eta vs tors. theta energy: -210.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2117.793149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.793149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.793149 (E_RNA) where: Base-Base interactions energy: -1460.526 where: short stacking energy: -611.700 Base-Backbone interact. energy: 1.041 local terms energy: -658.308097 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -117.944 flat angles C4'-P-C4' energy: -140.720 flat angles P-C4'-P energy: -81.965 tors. eta vs tors. theta energy: -186.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1989.368265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.368265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.368265 (E_RNA) where: Base-Base interactions energy: -1344.314 where: short stacking energy: -586.293 Base-Backbone interact. energy: -1.256 local terms energy: -643.798268 where: bonds (distance) C4'-P energy: -120.389 bonds (distance) P-C4' energy: -124.553 flat angles C4'-P-C4' energy: -137.582 flat angles P-C4'-P energy: -86.484 tors. eta vs tors. theta energy: -174.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1835.083309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.083309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.083309 (E_RNA) where: Base-Base interactions energy: -1285.999 where: short stacking energy: -527.197 Base-Backbone interact. energy: -2.314 local terms energy: -546.769975 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -111.913 flat angles C4'-P-C4' energy: -114.944 flat angles P-C4'-P energy: -89.732 tors. eta vs tors. theta energy: -125.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1748.498637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.498637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.498637 (E_RNA) where: Base-Base interactions energy: -1125.036 where: short stacking energy: -518.380 Base-Backbone interact. energy: -4.104 local terms energy: -619.359039 where: bonds (distance) C4'-P energy: -110.629 bonds (distance) P-C4' energy: -119.875 flat angles C4'-P-C4' energy: -135.433 flat angles P-C4'-P energy: -90.647 tors. eta vs tors. theta energy: -162.775 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: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1648.015441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.015441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.015441 (E_RNA) where: Base-Base interactions energy: -1068.943 where: short stacking energy: -498.144 Base-Backbone interact. energy: 5.207 local terms energy: -584.279360 where: bonds (distance) C4'-P energy: -106.550 bonds (distance) P-C4' energy: -122.507 flat angles C4'-P-C4' energy: -136.371 flat angles P-C4'-P energy: -81.798 tors. eta vs tors. theta energy: -137.053 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: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1185.874334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.874334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.874334 (E_RNA) where: Base-Base interactions energy: -731.112 where: short stacking energy: -386.781 Base-Backbone interact. energy: -1.592 local terms energy: -453.171037 where: bonds (distance) C4'-P energy: -99.360 bonds (distance) P-C4' energy: -116.240 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -77.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -844.053865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.053865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.053865 (E_RNA) where: Base-Base interactions energy: -461.791 where: short stacking energy: -254.701 Base-Backbone interact. energy: -2.218 local terms energy: -380.044318 where: bonds (distance) C4'-P energy: -92.358 bonds (distance) P-C4' energy: -105.159 flat angles C4'-P-C4' energy: -109.152 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: -15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -804.662440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.662440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.662440 (E_RNA) where: Base-Base interactions energy: -440.247 where: short stacking energy: -241.288 Base-Backbone interact. energy: -2.978 local terms energy: -361.437672 where: bonds (distance) C4'-P energy: -77.706 bonds (distance) P-C4' energy: -97.870 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -61.130 tors. eta vs tors. theta energy: -27.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -480.859486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.859486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.859486 (E_RNA) where: Base-Base interactions energy: -145.475 where: short stacking energy: -128.819 Base-Backbone interact. energy: -3.307 local terms energy: -332.077430 where: bonds (distance) C4'-P energy: -103.303 bonds (distance) P-C4' energy: -98.616 flat angles C4'-P-C4' energy: -83.056 flat angles P-C4'-P energy: -61.218 tors. eta vs tors. theta energy: 14.115 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: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2230.145248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.145248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.145248 (E_RNA) where: Base-Base interactions energy: -1509.758 where: short stacking energy: -664.819 Base-Backbone interact. energy: -1.605 local terms energy: -718.782311 where: bonds (distance) C4'-P energy: -130.921 bonds (distance) P-C4' energy: -132.877 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -107.718 tors. eta vs tors. theta energy: -205.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2131.921443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.921443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.921443 (E_RNA) where: Base-Base interactions energy: -1475.630 where: short stacking energy: -624.115 Base-Backbone interact. energy: -4.219 local terms energy: -652.072382 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -131.403 flat angles C4'-P-C4' energy: -141.788 flat angles P-C4'-P energy: -95.110 tors. eta vs tors. theta energy: -187.603 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: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1983.647731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.647731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.647731 (E_RNA) where: Base-Base interactions energy: -1326.446 where: short stacking energy: -568.777 Base-Backbone interact. energy: 0.423 local terms energy: -657.624805 where: bonds (distance) C4'-P energy: -132.892 bonds (distance) P-C4' energy: -128.169 flat angles C4'-P-C4' energy: -140.664 flat angles P-C4'-P energy: -87.754 tors. eta vs tors. theta energy: -168.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1858.366259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.366259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.366259 (E_RNA) where: Base-Base interactions energy: -1275.578 where: short stacking energy: -524.402 Base-Backbone interact. energy: -5.610 local terms energy: -577.178352 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -99.527 flat angles C4'-P-C4' energy: -124.802 flat angles P-C4'-P energy: -80.322 tors. eta vs tors. theta energy: -149.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1756.445751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.445751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.445751 (E_RNA) where: Base-Base interactions energy: -1168.163 where: short stacking energy: -521.644 Base-Backbone interact. energy: -1.162 local terms energy: -587.121261 where: bonds (distance) C4'-P energy: -108.836 bonds (distance) P-C4' energy: -118.235 flat angles C4'-P-C4' energy: -121.506 flat angles P-C4'-P energy: -92.893 tors. eta vs tors. theta energy: -145.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1645.327366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.327366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.327366 (E_RNA) where: Base-Base interactions energy: -1087.847 where: short stacking energy: -450.711 Base-Backbone interact. energy: -2.131 local terms energy: -555.348574 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -112.345 flat angles C4'-P-C4' energy: -115.921 flat angles P-C4'-P energy: -83.083 tors. eta vs tors. theta energy: -121.630 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: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1212.338514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.338514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.338514 (E_RNA) where: Base-Base interactions energy: -731.895 where: short stacking energy: -339.019 Base-Backbone interact. energy: -3.745 local terms energy: -476.697651 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -55.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -939.121053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.121053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.121053 (E_RNA) where: Base-Base interactions energy: -543.793 where: short stacking energy: -302.131 Base-Backbone interact. energy: -2.747 local terms energy: -392.581286 where: bonds (distance) C4'-P energy: -81.299 bonds (distance) P-C4' energy: -113.329 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -33.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -810.543892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.543892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.543892 (E_RNA) where: Base-Base interactions energy: -431.934 where: short stacking energy: -224.268 Base-Backbone interact. energy: 0.669 local terms energy: -379.278507 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -88.124 flat angles P-C4'-P energy: -71.707 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -464.207158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.207158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.207158 (E_RNA) where: Base-Base interactions energy: -151.456 where: short stacking energy: -126.226 Base-Backbone interact. energy: 6.324 local terms energy: -319.074757 where: bonds (distance) C4'-P energy: -105.029 bonds (distance) P-C4' energy: -92.489 flat angles C4'-P-C4' energy: -86.523 flat angles P-C4'-P energy: -57.730 tors. eta vs tors. theta energy: 22.696 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: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2248.421428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.421428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.421428 (E_RNA) where: Base-Base interactions energy: -1524.379 where: short stacking energy: -646.751 Base-Backbone interact. energy: -1.386 local terms energy: -722.656132 where: bonds (distance) C4'-P energy: -133.066 bonds (distance) P-C4' energy: -136.745 flat angles C4'-P-C4' energy: -149.590 flat angles P-C4'-P energy: -104.473 tors. eta vs tors. theta energy: -198.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2133.050621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.050621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.050621 (E_RNA) where: Base-Base interactions energy: -1465.501 where: short stacking energy: -616.001 Base-Backbone interact. energy: -1.080 local terms energy: -666.469181 where: bonds (distance) C4'-P energy: -120.817 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -130.856 flat angles P-C4'-P energy: -90.969 tors. eta vs tors. theta energy: -191.779 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: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1968.380641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.380641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.380641 (E_RNA) where: Base-Base interactions energy: -1320.745 where: short stacking energy: -566.810 Base-Backbone interact. energy: 0.849 local terms energy: -648.485218 where: bonds (distance) C4'-P energy: -124.139 bonds (distance) P-C4' energy: -117.901 flat angles C4'-P-C4' energy: -133.225 flat angles P-C4'-P energy: -89.277 tors. eta vs tors. theta energy: -183.943 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: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1831.359806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.359806 (E_RNA) where: Base-Base interactions energy: -1244.606 where: short stacking energy: -553.374 Base-Backbone interact. energy: -4.943 local terms energy: -581.811078 where: bonds (distance) C4'-P energy: -105.165 bonds (distance) P-C4' energy: -113.152 flat angles C4'-P-C4' energy: -129.888 flat angles P-C4'-P energy: -85.176 tors. eta vs tors. theta energy: -148.429 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: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1761.828834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.828834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.828834 (E_RNA) where: Base-Base interactions energy: -1170.369 where: short stacking energy: -519.516 Base-Backbone interact. energy: -3.451 local terms energy: -588.009181 where: bonds (distance) C4'-P energy: -96.282 bonds (distance) P-C4' energy: -128.510 flat angles C4'-P-C4' energy: -130.126 flat angles P-C4'-P energy: -86.081 tors. eta vs tors. theta energy: -147.010 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: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1629.262420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.262420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.262420 (E_RNA) where: Base-Base interactions energy: -1092.577 where: short stacking energy: -476.294 Base-Backbone interact. energy: -0.658 local terms energy: -536.027301 where: bonds (distance) C4'-P energy: -112.208 bonds (distance) P-C4' energy: -116.347 flat angles C4'-P-C4' energy: -110.731 flat angles P-C4'-P energy: -69.649 tors. eta vs tors. theta energy: -127.092 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1191.834346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.834346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.834346 (E_RNA) where: Base-Base interactions energy: -728.781 where: short stacking energy: -375.680 Base-Backbone interact. energy: -1.877 local terms energy: -461.176572 where: bonds (distance) C4'-P energy: -123.960 bonds (distance) P-C4' energy: -95.093 flat angles C4'-P-C4' energy: -110.598 flat angles P-C4'-P energy: -66.657 tors. eta vs tors. theta energy: -64.868 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: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -854.984793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.984793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.984793 (E_RNA) where: Base-Base interactions energy: -480.635 where: short stacking energy: -265.392 Base-Backbone interact. energy: -0.868 local terms energy: -373.481266 where: bonds (distance) C4'-P energy: -112.533 bonds (distance) P-C4' energy: -102.417 flat angles C4'-P-C4' energy: -89.496 flat angles P-C4'-P energy: -52.408 tors. eta vs tors. theta energy: -16.628 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: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -784.165632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.165632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.165632 (E_RNA) where: Base-Base interactions energy: -431.059 where: short stacking energy: -236.757 Base-Backbone interact. energy: 0.831 local terms energy: -353.937662 where: bonds (distance) C4'-P energy: -102.272 bonds (distance) P-C4' energy: -94.995 flat angles C4'-P-C4' energy: -92.805 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -8.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -469.121008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.121008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.121008 (E_RNA) where: Base-Base interactions energy: -153.235 where: short stacking energy: -139.998 Base-Backbone interact. energy: 8.143 local terms energy: -324.029546 where: bonds (distance) C4'-P energy: -101.112 bonds (distance) P-C4' energy: -97.680 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: 19.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2251.302163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.302163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.302163 (E_RNA) where: Base-Base interactions energy: -1553.586 where: short stacking energy: -658.318 Base-Backbone interact. energy: 1.584 local terms energy: -699.300573 where: bonds (distance) C4'-P energy: -118.388 bonds (distance) P-C4' energy: -141.283 flat angles C4'-P-C4' energy: -147.587 flat angles P-C4'-P energy: -87.968 tors. eta vs tors. theta energy: -204.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2135.990829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.990829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.990829 (E_RNA) where: Base-Base interactions energy: -1465.527 where: short stacking energy: -607.969 Base-Backbone interact. energy: -4.449 local terms energy: -666.014954 where: bonds (distance) C4'-P energy: -114.189 bonds (distance) P-C4' energy: -138.793 flat angles C4'-P-C4' energy: -133.942 flat angles P-C4'-P energy: -83.223 tors. eta vs tors. theta energy: -195.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2003.789303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.789303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.789303 (E_RNA) where: Base-Base interactions energy: -1359.431 where: short stacking energy: -578.913 Base-Backbone interact. energy: 0.214 local terms energy: -644.572456 where: bonds (distance) C4'-P energy: -119.316 bonds (distance) P-C4' energy: -125.752 flat angles C4'-P-C4' energy: -141.717 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -168.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1819.690119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.690119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.690119 (E_RNA) where: Base-Base interactions energy: -1243.214 where: short stacking energy: -554.619 Base-Backbone interact. energy: -0.509 local terms energy: -575.967346 where: bonds (distance) C4'-P energy: -98.881 bonds (distance) P-C4' energy: -124.445 flat angles C4'-P-C4' energy: -125.552 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: -151.427 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: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1744.995431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.995431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.995431 (E_RNA) where: Base-Base interactions energy: -1177.616 where: short stacking energy: -526.766 Base-Backbone interact. energy: 3.499 local terms energy: -570.878134 where: bonds (distance) C4'-P energy: -122.312 bonds (distance) P-C4' energy: -110.647 flat angles C4'-P-C4' energy: -119.368 flat angles P-C4'-P energy: -74.184 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: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1654.227796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.227796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.227796 (E_RNA) where: Base-Base interactions energy: -1073.808 where: short stacking energy: -508.191 Base-Backbone interact. energy: 1.203 local terms energy: -581.623297 where: bonds (distance) C4'-P energy: -115.211 bonds (distance) P-C4' energy: -116.430 flat angles C4'-P-C4' energy: -121.816 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -143.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1190.512426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.512426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.512426 (E_RNA) where: Base-Base interactions energy: -712.970 where: short stacking energy: -336.294 Base-Backbone interact. energy: -2.674 local terms energy: -474.868771 where: bonds (distance) C4'-P energy: -100.376 bonds (distance) P-C4' energy: -112.238 flat angles C4'-P-C4' energy: -120.510 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -73.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -849.028297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.028297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.028297 (E_RNA) where: Base-Base interactions energy: -432.301 where: short stacking energy: -260.794 Base-Backbone interact. energy: -1.132 local terms energy: -415.595449 where: bonds (distance) C4'-P energy: -96.704 bonds (distance) P-C4' energy: -108.744 flat angles C4'-P-C4' energy: -108.807 flat angles P-C4'-P energy: -76.348 tors. eta vs tors. theta energy: -24.991 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: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -788.009122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.009122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.009122 (E_RNA) where: Base-Base interactions energy: -421.228 where: short stacking energy: -244.008 Base-Backbone interact. energy: -1.423 local terms energy: -365.357595 where: bonds (distance) C4'-P energy: -90.428 bonds (distance) P-C4' energy: -109.767 flat angles C4'-P-C4' energy: -89.297 flat angles P-C4'-P energy: -57.881 tors. eta vs tors. theta energy: -17.984 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: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -494.033646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.033646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.033646 (E_RNA) where: Base-Base interactions energy: -180.899 where: short stacking energy: -134.464 Base-Backbone interact. energy: 0.669 local terms energy: -313.803974 where: bonds (distance) C4'-P energy: -103.781 bonds (distance) P-C4' energy: -106.258 flat angles C4'-P-C4' energy: -89.701 flat angles P-C4'-P energy: -31.536 tors. eta vs tors. theta energy: 17.472 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2227.698354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.698354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.698354 (E_RNA) where: Base-Base interactions energy: -1530.509 where: short stacking energy: -671.543 Base-Backbone interact. energy: -3.545 local terms energy: -693.644441 where: bonds (distance) C4'-P energy: -110.524 bonds (distance) P-C4' energy: -137.562 flat angles C4'-P-C4' energy: -146.399 flat angles P-C4'-P energy: -96.186 tors. eta vs tors. theta energy: -202.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2156.878709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.878709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.878709 (E_RNA) where: Base-Base interactions energy: -1501.269 where: short stacking energy: -636.058 Base-Backbone interact. energy: -2.137 local terms energy: -653.472469 where: bonds (distance) C4'-P energy: -115.037 bonds (distance) P-C4' energy: -113.888 flat angles C4'-P-C4' energy: -141.805 flat angles P-C4'-P energy: -89.985 tors. eta vs tors. theta energy: -192.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1983.739060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.739060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.739060 (E_RNA) where: Base-Base interactions energy: -1342.614 where: short stacking energy: -592.863 Base-Backbone interact. energy: -3.965 local terms energy: -637.160663 where: bonds (distance) C4'-P energy: -123.857 bonds (distance) P-C4' energy: -117.471 flat angles C4'-P-C4' energy: -132.856 flat angles P-C4'-P energy: -90.201 tors. eta vs tors. theta energy: -172.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1812.841385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.841385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.841385 (E_RNA) where: Base-Base interactions energy: -1230.971 where: short stacking energy: -569.142 Base-Backbone interact. energy: 3.866 local terms energy: -585.736793 where: bonds (distance) C4'-P energy: -100.188 bonds (distance) P-C4' energy: -122.522 flat angles C4'-P-C4' energy: -140.055 flat angles P-C4'-P energy: -81.883 tors. eta vs tors. theta energy: -141.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1773.093424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.093424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.093424 (E_RNA) where: Base-Base interactions energy: -1195.848 where: short stacking energy: -553.821 Base-Backbone interact. energy: -1.418 local terms energy: -575.826924 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -99.120 flat angles C4'-P-C4' energy: -125.473 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -155.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1617.124872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.124872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.124872 (E_RNA) where: Base-Base interactions energy: -1072.032 where: short stacking energy: -468.980 Base-Backbone interact. energy: 4.260 local terms energy: -549.352863 where: bonds (distance) C4'-P energy: -91.337 bonds (distance) P-C4' energy: -125.313 flat angles C4'-P-C4' energy: -127.476 flat angles P-C4'-P energy: -78.975 tors. eta vs tors. theta energy: -126.251 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: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1205.386566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.386566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.386566 (E_RNA) where: Base-Base interactions energy: -746.245 where: short stacking energy: -343.209 Base-Backbone interact. energy: -1.142 local terms energy: -458.000097 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -119.607 flat angles C4'-P-C4' energy: -123.340 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -62.557 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: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -872.081007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.081007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.081007 (E_RNA) where: Base-Base interactions energy: -473.777 where: short stacking energy: -272.475 Base-Backbone interact. energy: 7.268 local terms energy: -405.572385 where: bonds (distance) C4'-P energy: -93.306 bonds (distance) P-C4' energy: -125.574 flat angles C4'-P-C4' energy: -102.274 flat angles P-C4'-P energy: -56.394 tors. eta vs tors. theta energy: -28.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -756.012159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.012159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.012159 (E_RNA) where: Base-Base interactions energy: -437.563 where: short stacking energy: -231.381 Base-Backbone interact. energy: -0.014 local terms energy: -318.435314 where: bonds (distance) C4'-P energy: -79.946 bonds (distance) P-C4' energy: -91.227 flat angles C4'-P-C4' energy: -94.339 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -531.307160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.307160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.307160 (E_RNA) where: Base-Base interactions energy: -200.348 where: short stacking energy: -147.293 Base-Backbone interact. energy: 0.227 local terms energy: -331.185298 where: bonds (distance) C4'-P energy: -102.515 bonds (distance) P-C4' energy: -106.072 flat angles C4'-P-C4' energy: -89.890 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: 8.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2223.453004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.453004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.453004 (E_RNA) where: Base-Base interactions energy: -1523.095 where: short stacking energy: -662.123 Base-Backbone interact. energy: -3.143 local terms energy: -697.215582 where: bonds (distance) C4'-P energy: -124.531 bonds (distance) P-C4' energy: -137.289 flat angles C4'-P-C4' energy: -142.071 flat angles P-C4'-P energy: -96.451 tors. eta vs tors. theta energy: -196.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2147.260439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.260439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.260439 (E_RNA) where: Base-Base interactions energy: -1470.718 where: short stacking energy: -641.415 Base-Backbone interact. energy: 4.251 local terms energy: -680.794068 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -150.054 flat angles P-C4'-P energy: -106.851 tors. eta vs tors. theta energy: -189.708 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: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1989.797508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.797508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.797508 (E_RNA) where: Base-Base interactions energy: -1348.240 where: short stacking energy: -584.573 Base-Backbone interact. energy: -1.597 local terms energy: -639.961165 where: bonds (distance) C4'-P energy: -123.999 bonds (distance) P-C4' energy: -122.220 flat angles C4'-P-C4' energy: -133.169 flat angles P-C4'-P energy: -90.947 tors. eta vs tors. theta energy: -169.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1838.257164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.257164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.257164 (E_RNA) where: Base-Base interactions energy: -1236.754 where: short stacking energy: -560.967 Base-Backbone interact. energy: -4.225 local terms energy: -597.278393 where: bonds (distance) C4'-P energy: -117.559 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -125.578 flat angles P-C4'-P energy: -74.608 tors. eta vs tors. theta energy: -153.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1747.582825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.582825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.582825 (E_RNA) where: Base-Base interactions energy: -1172.079 where: short stacking energy: -514.585 Base-Backbone interact. energy: -1.871 local terms energy: -573.632491 where: bonds (distance) C4'-P energy: -107.821 bonds (distance) P-C4' energy: -110.732 flat angles C4'-P-C4' energy: -133.172 flat angles P-C4'-P energy: -87.837 tors. eta vs tors. theta energy: -134.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1584.791052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.791052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.791052 (E_RNA) where: Base-Base interactions energy: -1062.425 where: short stacking energy: -481.231 Base-Backbone interact. energy: -2.716 local terms energy: -519.649762 where: bonds (distance) C4'-P energy: -98.868 bonds (distance) P-C4' energy: -115.849 flat angles C4'-P-C4' energy: -120.858 flat angles P-C4'-P energy: -61.241 tors. eta vs tors. theta energy: -122.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1249.138559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.138559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.138559 (E_RNA) where: Base-Base interactions energy: -757.992 where: short stacking energy: -370.766 Base-Backbone interact. energy: -0.841 local terms energy: -490.304911 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -119.432 flat angles C4'-P-C4' energy: -116.420 flat angles P-C4'-P energy: -76.983 tors. eta vs tors. theta energy: -77.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -808.358893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.358893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.358893 (E_RNA) where: Base-Base interactions energy: -424.117 where: short stacking energy: -240.440 Base-Backbone interact. energy: 1.737 local terms energy: -385.978126 where: bonds (distance) C4'-P energy: -118.021 bonds (distance) P-C4' energy: -120.580 flat angles C4'-P-C4' energy: -94.651 flat angles P-C4'-P energy: -47.612 tors. eta vs tors. theta energy: -5.114 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: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -723.466598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.466598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.466598 (E_RNA) where: Base-Base interactions energy: -365.514 where: short stacking energy: -230.054 Base-Backbone interact. energy: -2.761 local terms energy: -355.191117 where: bonds (distance) C4'-P energy: -96.652 bonds (distance) P-C4' energy: -102.871 flat angles C4'-P-C4' energy: -84.992 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -9.929 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: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -569.614906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.614906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.614906 (E_RNA) where: Base-Base interactions energy: -246.649 where: short stacking energy: -170.778 Base-Backbone interact. energy: 6.077 local terms energy: -329.043027 where: bonds (distance) C4'-P energy: -83.622 bonds (distance) P-C4' energy: -103.229 flat angles C4'-P-C4' energy: -106.642 flat angles P-C4'-P energy: -41.866 tors. eta vs tors. theta energy: 6.316 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: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2218.051835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.051835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.051835 (E_RNA) where: Base-Base interactions energy: -1525.043 where: short stacking energy: -660.185 Base-Backbone interact. energy: -2.469 local terms energy: -690.540130 where: bonds (distance) C4'-P energy: -124.073 bonds (distance) P-C4' energy: -124.862 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -97.667 tors. eta vs tors. theta energy: -198.200 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: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2138.800026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.800026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.800026 (E_RNA) where: Base-Base interactions energy: -1491.985 where: short stacking energy: -617.688 Base-Backbone interact. energy: -2.878 local terms energy: -643.936942 where: bonds (distance) C4'-P energy: -109.496 bonds (distance) P-C4' energy: -107.347 flat angles C4'-P-C4' energy: -136.824 flat angles P-C4'-P energy: -107.782 tors. eta vs tors. theta energy: -182.488 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: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1989.609165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.609165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.609165 (E_RNA) where: Base-Base interactions energy: -1372.169 where: short stacking energy: -599.488 Base-Backbone interact. energy: -2.645 local terms energy: -614.794874 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -114.020 flat angles C4'-P-C4' energy: -145.955 flat angles P-C4'-P energy: -83.209 tors. eta vs tors. theta energy: -168.443 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1840.379089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.379089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.379089 (E_RNA) where: Base-Base interactions energy: -1240.840 where: short stacking energy: -534.737 Base-Backbone interact. energy: -1.182 local terms energy: -598.356784 where: bonds (distance) C4'-P energy: -117.484 bonds (distance) P-C4' energy: -107.846 flat angles C4'-P-C4' energy: -136.567 flat angles P-C4'-P energy: -86.233 tors. eta vs tors. theta energy: -150.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1771.887314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.887314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.887314 (E_RNA) where: Base-Base interactions energy: -1162.360 where: short stacking energy: -497.266 Base-Backbone interact. energy: -3.470 local terms energy: -606.056409 where: bonds (distance) C4'-P energy: -118.445 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -145.218 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -128.818 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: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1552.004183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.004183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.004183 (E_RNA) where: Base-Base interactions energy: -1043.721 where: short stacking energy: -466.476 Base-Backbone interact. energy: 0.514 local terms energy: -508.797039 where: bonds (distance) C4'-P energy: -103.772 bonds (distance) P-C4' energy: -119.240 flat angles C4'-P-C4' energy: -106.338 flat angles P-C4'-P energy: -72.812 tors. eta vs tors. theta energy: -106.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1260.472255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.472255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.472255 (E_RNA) where: Base-Base interactions energy: -775.111 where: short stacking energy: -388.642 Base-Backbone interact. energy: 3.280 local terms energy: -488.641816 where: bonds (distance) C4'-P energy: -106.420 bonds (distance) P-C4' energy: -120.020 flat angles C4'-P-C4' energy: -114.799 flat angles P-C4'-P energy: -66.280 tors. eta vs tors. theta energy: -81.123 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: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -844.524613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.524613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.524613 (E_RNA) where: Base-Base interactions energy: -457.732 where: short stacking energy: -250.933 Base-Backbone interact. energy: -3.027 local terms energy: -383.765581 where: bonds (distance) C4'-P energy: -108.230 bonds (distance) P-C4' energy: -113.661 flat angles C4'-P-C4' energy: -90.401 flat angles P-C4'-P energy: -41.613 tors. eta vs tors. theta energy: -29.860 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: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -716.546840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.546840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.546840 (E_RNA) where: Base-Base interactions energy: -361.618 where: short stacking energy: -218.523 Base-Backbone interact. energy: -2.625 local terms energy: -352.303030 where: bonds (distance) C4'-P energy: -93.893 bonds (distance) P-C4' energy: -103.602 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -477.906750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.906750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.906750 (E_RNA) where: Base-Base interactions energy: -149.014 where: short stacking energy: -136.218 Base-Backbone interact. energy: 1.699 local terms energy: -330.591540 where: bonds (distance) C4'-P energy: -85.836 bonds (distance) P-C4' energy: -120.892 flat angles C4'-P-C4' energy: -76.798 flat angles P-C4'-P energy: -55.180 tors. eta vs tors. theta energy: 8.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2196.269184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.269184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.269184 (E_RNA) where: Base-Base interactions energy: -1499.879 where: short stacking energy: -645.235 Base-Backbone interact. energy: -2.972 local terms energy: -693.417795 where: bonds (distance) C4'-P energy: -130.983 bonds (distance) P-C4' energy: -123.810 flat angles C4'-P-C4' energy: -144.312 flat angles P-C4'-P energy: -101.741 tors. eta vs tors. theta energy: -192.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2144.290219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.290219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.290219 (E_RNA) where: Base-Base interactions energy: -1456.583 where: short stacking energy: -639.041 Base-Backbone interact. energy: -1.756 local terms energy: -685.951808 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -142.674 flat angles P-C4'-P energy: -89.535 tors. eta vs tors. theta energy: -197.946 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: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1980.112596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.112596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.112596 (E_RNA) where: Base-Base interactions energy: -1364.931 where: short stacking energy: -594.805 Base-Backbone interact. energy: -0.033 local terms energy: -615.148451 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -121.902 flat angles C4'-P-C4' energy: -136.650 flat angles P-C4'-P energy: -85.640 tors. eta vs tors. theta energy: -159.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1810.555180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.555180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.555180 (E_RNA) where: Base-Base interactions energy: -1223.522 where: short stacking energy: -520.141 Base-Backbone interact. energy: 5.396 local terms energy: -592.429061 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -127.381 flat angles C4'-P-C4' energy: -133.349 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: -131.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1764.938464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.938464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.938464 (E_RNA) where: Base-Base interactions energy: -1190.116 where: short stacking energy: -538.072 Base-Backbone interact. energy: 1.259 local terms energy: -576.081663 where: bonds (distance) C4'-P energy: -109.224 bonds (distance) P-C4' energy: -108.279 flat angles C4'-P-C4' energy: -136.855 flat angles P-C4'-P energy: -77.875 tors. eta vs tors. theta energy: -143.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1595.847543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.847543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.847543 (E_RNA) where: Base-Base interactions energy: -1053.384 where: short stacking energy: -444.925 Base-Backbone interact. energy: 3.772 local terms energy: -546.235715 where: bonds (distance) C4'-P energy: -124.441 bonds (distance) P-C4' energy: -109.101 flat angles C4'-P-C4' energy: -116.569 flat angles P-C4'-P energy: -85.361 tors. eta vs tors. theta energy: -110.764 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: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1254.899530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.899530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.899530 (E_RNA) where: Base-Base interactions energy: -788.158 where: short stacking energy: -394.417 Base-Backbone interact. energy: -2.767 local terms energy: -463.974229 where: bonds (distance) C4'-P energy: -108.115 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -105.333 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -86.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -849.330349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.330349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.330349 (E_RNA) where: Base-Base interactions energy: -473.544 where: short stacking energy: -264.096 Base-Backbone interact. energy: 5.397 local terms energy: -381.182631 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -105.886 flat angles P-C4'-P energy: -43.799 tors. eta vs tors. theta energy: -25.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -765.847560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.847560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.847560 (E_RNA) where: Base-Base interactions energy: -409.616 where: short stacking energy: -242.276 Base-Backbone interact. energy: -3.737 local terms energy: -352.494629 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -103.939 flat angles C4'-P-C4' energy: -63.889 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -482.699485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.699485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.699485 (E_RNA) where: Base-Base interactions energy: -170.989 where: short stacking energy: -154.278 Base-Backbone interact. energy: -1.306 local terms energy: -310.404889 where: bonds (distance) C4'-P energy: -86.338 bonds (distance) P-C4' energy: -112.847 flat angles C4'-P-C4' energy: -95.380 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: 16.168 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: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2247.065566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.065566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.065566 (E_RNA) where: Base-Base interactions energy: -1557.864 where: short stacking energy: -654.981 Base-Backbone interact. energy: -4.990 local terms energy: -684.211739 where: bonds (distance) C4'-P energy: -122.080 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -144.016 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -189.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2135.432765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.432765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.432765 (E_RNA) where: Base-Base interactions energy: -1469.433 where: short stacking energy: -644.260 Base-Backbone interact. energy: -3.041 local terms energy: -662.958663 where: bonds (distance) C4'-P energy: -119.295 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -137.004 flat angles P-C4'-P energy: -95.552 tors. eta vs tors. theta energy: -187.430 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: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1959.031798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.031798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.031798 (E_RNA) where: Base-Base interactions energy: -1339.054 where: short stacking energy: -567.419 Base-Backbone interact. energy: -3.354 local terms energy: -616.623911 where: bonds (distance) C4'-P energy: -120.269 bonds (distance) P-C4' energy: -124.935 flat angles C4'-P-C4' energy: -139.919 flat angles P-C4'-P energy: -81.288 tors. eta vs tors. theta energy: -150.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1854.770265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.770265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.770265 (E_RNA) where: Base-Base interactions energy: -1255.234 where: short stacking energy: -520.054 Base-Backbone interact. energy: -4.207 local terms energy: -595.329386 where: bonds (distance) C4'-P energy: -117.107 bonds (distance) P-C4' energy: -115.148 flat angles C4'-P-C4' energy: -134.571 flat angles P-C4'-P energy: -83.570 tors. eta vs tors. theta energy: -144.933 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: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1787.850326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.850326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.850326 (E_RNA) where: Base-Base interactions energy: -1193.367 where: short stacking energy: -536.388 Base-Backbone interact. energy: -3.798 local terms energy: -590.685698 where: bonds (distance) C4'-P energy: -100.659 bonds (distance) P-C4' energy: -108.243 flat angles C4'-P-C4' energy: -131.840 flat angles P-C4'-P energy: -88.021 tors. eta vs tors. theta energy: -161.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1597.746668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.746668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.746668 (E_RNA) where: Base-Base interactions energy: -1105.439 where: short stacking energy: -465.126 Base-Backbone interact. energy: -0.308 local terms energy: -491.999174 where: bonds (distance) C4'-P energy: -93.288 bonds (distance) P-C4' energy: -96.984 flat angles C4'-P-C4' energy: -121.881 flat angles P-C4'-P energy: -72.343 tors. eta vs tors. theta energy: -107.503 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: 413 Temperature: 1.200000 Total energy: -1262.268965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.268965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.268965 (E_RNA) where: Base-Base interactions energy: -783.775 where: short stacking energy: -365.854 Base-Backbone interact. energy: -3.138 local terms energy: -475.355041 where: bonds (distance) C4'-P energy: -109.284 bonds (distance) P-C4' energy: -110.900 flat angles C4'-P-C4' energy: -112.865 flat angles P-C4'-P energy: -62.011 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: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -852.966778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.966778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.966778 (E_RNA) where: Base-Base interactions energy: -483.927 where: short stacking energy: -249.186 Base-Backbone interact. energy: 0.333 local terms energy: -369.373032 where: bonds (distance) C4'-P energy: -99.254 bonds (distance) P-C4' energy: -107.904 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -11.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -758.501342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.501342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.501342 (E_RNA) where: Base-Base interactions energy: -393.904 where: short stacking energy: -205.650 Base-Backbone interact. energy: -1.145 local terms energy: -363.451649 where: bonds (distance) C4'-P energy: -101.845 bonds (distance) P-C4' energy: -105.605 flat angles C4'-P-C4' energy: -100.397 flat angles P-C4'-P energy: -48.662 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -486.927040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.927040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.927040 (E_RNA) where: Base-Base interactions energy: -205.440 where: short stacking energy: -162.391 Base-Backbone interact. energy: 2.547 local terms energy: -284.034711 where: bonds (distance) C4'-P energy: -105.521 bonds (distance) P-C4' energy: -114.623 flat angles C4'-P-C4' energy: -62.267 flat angles P-C4'-P energy: -21.178 tors. eta vs tors. theta energy: 19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2244.732062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.732062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.732062 (E_RNA) where: Base-Base interactions energy: -1544.113 where: short stacking energy: -675.222 Base-Backbone interact. energy: -3.061 local terms energy: -697.558602 where: bonds (distance) C4'-P energy: -125.005 bonds (distance) P-C4' energy: -130.374 flat angles C4'-P-C4' energy: -152.171 flat angles P-C4'-P energy: -91.934 tors. eta vs tors. theta energy: -198.074 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: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2154.031604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.031604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.031604 (E_RNA) where: Base-Base interactions energy: -1514.640 where: short stacking energy: -656.861 Base-Backbone interact. energy: -1.825 local terms energy: -637.565987 where: bonds (distance) C4'-P energy: -106.760 bonds (distance) P-C4' energy: -124.862 flat angles C4'-P-C4' energy: -146.884 flat angles P-C4'-P energy: -68.090 tors. eta vs tors. theta energy: -190.970 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: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1998.649405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.649405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.649405 (E_RNA) where: Base-Base interactions energy: -1357.335 where: short stacking energy: -583.079 Base-Backbone interact. energy: -2.721 local terms energy: -638.593933 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -114.759 flat angles C4'-P-C4' energy: -136.025 flat angles P-C4'-P energy: -92.451 tors. eta vs tors. theta energy: -168.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1799.309338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.309338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.309338 (E_RNA) where: Base-Base interactions energy: -1230.602 where: short stacking energy: -520.931 Base-Backbone interact. energy: -0.542 local terms energy: -568.166101 where: bonds (distance) C4'-P energy: -111.887 bonds (distance) P-C4' energy: -107.261 flat angles C4'-P-C4' energy: -129.446 flat angles P-C4'-P energy: -83.189 tors. eta vs tors. theta energy: -136.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1771.462141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.462141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.462141 (E_RNA) where: Base-Base interactions energy: -1192.921 where: short stacking energy: -500.040 Base-Backbone interact. energy: -2.174 local terms energy: -576.367472 where: bonds (distance) C4'-P energy: -109.930 bonds (distance) P-C4' energy: -109.256 flat angles C4'-P-C4' energy: -129.183 flat angles P-C4'-P energy: -83.202 tors. eta vs tors. theta energy: -144.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1562.696979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.696979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.696979 (E_RNA) where: Base-Base interactions energy: -1033.290 where: short stacking energy: -432.926 Base-Backbone interact. energy: -2.423 local terms energy: -526.984273 where: bonds (distance) C4'-P energy: -110.399 bonds (distance) P-C4' energy: -104.596 flat angles C4'-P-C4' energy: -132.857 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -112.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1301.984024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.984024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.984024 (E_RNA) where: Base-Base interactions energy: -812.129 where: short stacking energy: -400.616 Base-Backbone interact. energy: 0.092 local terms energy: -489.947183 where: bonds (distance) C4'-P energy: -104.739 bonds (distance) P-C4' energy: -122.845 flat angles C4'-P-C4' energy: -118.618 flat angles P-C4'-P energy: -53.246 tors. eta vs tors. theta energy: -90.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -820.193588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.193588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.193588 (E_RNA) where: Base-Base interactions energy: -424.072 where: short stacking energy: -233.034 Base-Backbone interact. energy: -1.509 local terms energy: -394.613290 where: bonds (distance) C4'-P energy: -91.348 bonds (distance) P-C4' energy: -121.301 flat angles C4'-P-C4' energy: -108.707 flat angles P-C4'-P energy: -63.745 tors. eta vs tors. theta energy: -9.514 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: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -768.322533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.322533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.322533 (E_RNA) where: Base-Base interactions energy: -406.476 where: short stacking energy: -205.986 Base-Backbone interact. energy: -1.452 local terms energy: -360.394375 where: bonds (distance) C4'-P energy: -103.313 bonds (distance) P-C4' energy: -123.158 flat angles C4'-P-C4' energy: -85.396 flat angles P-C4'-P energy: -57.927 tors. eta vs tors. theta energy: 9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -548.622230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.622230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.622230 (E_RNA) where: Base-Base interactions energy: -220.248 where: short stacking energy: -166.929 Base-Backbone interact. energy: 2.008 local terms energy: -330.382498 where: bonds (distance) C4'-P energy: -86.523 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -96.753 flat angles P-C4'-P energy: -40.286 tors. eta vs tors. theta energy: 21.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2205.979319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.979319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.979319 (E_RNA) where: Base-Base interactions energy: -1515.354 where: short stacking energy: -648.103 Base-Backbone interact. energy: -2.780 local terms energy: -687.844386 where: bonds (distance) C4'-P energy: -123.493 bonds (distance) P-C4' energy: -127.099 flat angles C4'-P-C4' energy: -141.193 flat angles P-C4'-P energy: -91.824 tors. eta vs tors. theta energy: -204.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2162.752330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.752330 (E_RNA) where: Base-Base interactions energy: -1479.642 where: short stacking energy: -639.466 Base-Backbone interact. energy: -0.724 local terms energy: -682.386098 where: bonds (distance) C4'-P energy: -124.294 bonds (distance) P-C4' energy: -113.863 flat angles C4'-P-C4' energy: -152.396 flat angles P-C4'-P energy: -100.130 tors. eta vs tors. theta energy: -191.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2025.136057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.136057 (E_RNA) where: Base-Base interactions energy: -1385.350 where: short stacking energy: -591.671 Base-Backbone interact. energy: -2.057 local terms energy: -637.729235 where: bonds (distance) C4'-P energy: -126.804 bonds (distance) P-C4' energy: -131.340 flat angles C4'-P-C4' energy: -133.011 flat angles P-C4'-P energy: -80.193 tors. eta vs tors. theta energy: -166.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1837.915514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.915514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.915514 (E_RNA) where: Base-Base interactions energy: -1225.037 where: short stacking energy: -548.472 Base-Backbone interact. energy: -3.344 local terms energy: -609.534706 where: bonds (distance) C4'-P energy: -111.359 bonds (distance) P-C4' energy: -126.849 flat angles C4'-P-C4' energy: -131.161 flat angles P-C4'-P energy: -95.878 tors. eta vs tors. theta energy: -144.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1748.234551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.234551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.234551 (E_RNA) where: Base-Base interactions energy: -1197.417 where: short stacking energy: -528.201 Base-Backbone interact. energy: -1.119 local terms energy: -549.698270 where: bonds (distance) C4'-P energy: -109.285 bonds (distance) P-C4' energy: -114.235 flat angles C4'-P-C4' energy: -119.623 flat angles P-C4'-P energy: -71.798 tors. eta vs tors. theta energy: -134.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1643.406378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.406378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.406378 (E_RNA) where: Base-Base interactions energy: -1085.508 where: short stacking energy: -485.894 Base-Backbone interact. energy: -1.931 local terms energy: -555.967261 where: bonds (distance) C4'-P energy: -117.700 bonds (distance) P-C4' energy: -110.694 flat angles C4'-P-C4' energy: -121.571 flat angles P-C4'-P energy: -75.244 tors. eta vs tors. theta energy: -130.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1230.929174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.929174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.929174 (E_RNA) where: Base-Base interactions energy: -776.243 where: short stacking energy: -380.216 Base-Backbone interact. energy: -1.518 local terms energy: -453.168413 where: bonds (distance) C4'-P energy: -109.257 bonds (distance) P-C4' energy: -105.556 flat angles C4'-P-C4' energy: -107.432 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -76.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -897.990155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.990155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.990155 (E_RNA) where: Base-Base interactions energy: -477.764 where: short stacking energy: -271.588 Base-Backbone interact. energy: -1.379 local terms energy: -418.847117 where: bonds (distance) C4'-P energy: -107.448 bonds (distance) P-C4' energy: -104.698 flat angles C4'-P-C4' energy: -120.551 flat angles P-C4'-P energy: -51.140 tors. eta vs tors. theta energy: -35.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -785.850446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.850446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.850446 (E_RNA) where: Base-Base interactions energy: -431.053 where: short stacking energy: -253.073 Base-Backbone interact. energy: 6.910 local terms energy: -361.707589 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -94.758 flat angles C4'-P-C4' energy: -87.472 flat angles P-C4'-P energy: -56.789 tors. eta vs tors. theta energy: -11.358 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: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -556.714917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.714917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.714917 (E_RNA) where: Base-Base interactions energy: -207.266 where: short stacking energy: -147.412 Base-Backbone interact. energy: -1.905 local terms energy: -347.544852 where: bonds (distance) C4'-P energy: -93.867 bonds (distance) P-C4' energy: -111.534 flat angles C4'-P-C4' energy: -93.353 flat angles P-C4'-P energy: -61.124 tors. eta vs tors. theta energy: 12.333 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: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2213.274545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.274545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.274545 (E_RNA) where: Base-Base interactions energy: -1503.608 where: short stacking energy: -637.365 Base-Backbone interact. energy: -4.350 local terms energy: -705.317283 where: bonds (distance) C4'-P energy: -128.632 bonds (distance) P-C4' energy: -128.418 flat angles C4'-P-C4' energy: -151.558 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -194.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2196.045026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.045026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.045026 (E_RNA) where: Base-Base interactions energy: -1510.421 where: short stacking energy: -655.631 Base-Backbone interact. energy: -0.358 local terms energy: -685.265885 where: bonds (distance) C4'-P energy: -119.213 bonds (distance) P-C4' energy: -132.040 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -192.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1978.122203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.122203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.122203 (E_RNA) where: Base-Base interactions energy: -1366.015 where: short stacking energy: -573.348 Base-Backbone interact. energy: -3.053 local terms energy: -609.054166 where: bonds (distance) C4'-P energy: -105.296 bonds (distance) P-C4' energy: -119.841 flat angles C4'-P-C4' energy: -131.998 flat angles P-C4'-P energy: -92.778 tors. eta vs tors. theta energy: -159.141 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: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1850.388612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.388612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.388612 (E_RNA) where: Base-Base interactions energy: -1246.259 where: short stacking energy: -561.519 Base-Backbone interact. energy: -4.562 local terms energy: -599.567074 where: bonds (distance) C4'-P energy: -124.272 bonds (distance) P-C4' energy: -101.656 flat angles C4'-P-C4' energy: -124.974 flat angles P-C4'-P energy: -100.308 tors. eta vs tors. theta energy: -148.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1783.900407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.900407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.900407 (E_RNA) where: Base-Base interactions energy: -1195.779 where: short stacking energy: -537.434 Base-Backbone interact. energy: 1.663 local terms energy: -589.784020 where: bonds (distance) C4'-P energy: -112.903 bonds (distance) P-C4' energy: -117.864 flat angles C4'-P-C4' energy: -111.712 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -166.296 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: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1627.105018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.105018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.105018 (E_RNA) where: Base-Base interactions energy: -1094.830 where: short stacking energy: -485.289 Base-Backbone interact. energy: 6.237 local terms energy: -538.511868 where: bonds (distance) C4'-P energy: -110.905 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -117.098 flat angles P-C4'-P energy: -78.524 tors. eta vs tors. theta energy: -131.057 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: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1230.103351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.103351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.103351 (E_RNA) where: Base-Base interactions energy: -763.367 where: short stacking energy: -372.323 Base-Backbone interact. energy: -2.644 local terms energy: -464.092900 where: bonds (distance) C4'-P energy: -92.153 bonds (distance) P-C4' energy: -110.149 flat angles C4'-P-C4' energy: -120.509 flat angles P-C4'-P energy: -69.934 tors. eta vs tors. theta energy: -71.348 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: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -824.709766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.709766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.709766 (E_RNA) where: Base-Base interactions energy: -459.916 where: short stacking energy: -272.680 Base-Backbone interact. energy: 1.703 local terms energy: -366.497012 where: bonds (distance) C4'-P energy: -98.623 bonds (distance) P-C4' energy: -90.870 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -71.230 tors. eta vs tors. theta energy: -24.136 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: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -777.555245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.555245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.555245 (E_RNA) where: Base-Base interactions energy: -383.141 where: short stacking energy: -208.420 Base-Backbone interact. energy: -1.850 local terms energy: -392.564158 where: bonds (distance) C4'-P energy: -109.193 bonds (distance) P-C4' energy: -122.248 flat angles C4'-P-C4' energy: -91.780 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -5.055 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: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -561.197732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.197732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.197732 (E_RNA) where: Base-Base interactions energy: -241.232 where: short stacking energy: -183.507 Base-Backbone interact. energy: 5.326 local terms energy: -325.290919 where: bonds (distance) C4'-P energy: -97.007 bonds (distance) P-C4' energy: -106.583 flat angles C4'-P-C4' energy: -92.442 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: 15.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2212.299815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.299815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.299815 (E_RNA) where: Base-Base interactions energy: -1529.431 where: short stacking energy: -655.213 Base-Backbone interact. energy: -3.170 local terms energy: -679.698330 where: bonds (distance) C4'-P energy: -118.820 bonds (distance) P-C4' energy: -122.193 flat angles C4'-P-C4' energy: -143.782 flat angles P-C4'-P energy: -99.615 tors. eta vs tors. theta energy: -195.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2175.150427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.150427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.150427 (E_RNA) where: Base-Base interactions energy: -1496.535 where: short stacking energy: -670.184 Base-Backbone interact. energy: -0.936 local terms energy: -677.679261 where: bonds (distance) C4'-P energy: -133.950 bonds (distance) P-C4' energy: -117.789 flat angles C4'-P-C4' energy: -142.342 flat angles P-C4'-P energy: -86.393 tors. eta vs tors. theta energy: -197.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1989.224358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.224358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.224358 (E_RNA) where: Base-Base interactions energy: -1379.785 where: short stacking energy: -580.157 Base-Backbone interact. energy: -1.426 local terms energy: -608.012807 where: bonds (distance) C4'-P energy: -118.898 bonds (distance) P-C4' energy: -127.689 flat angles C4'-P-C4' energy: -125.585 flat angles P-C4'-P energy: -78.211 tors. eta vs tors. theta energy: -157.629 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: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1871.288295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.288295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.288295 (E_RNA) where: Base-Base interactions energy: -1262.671 where: short stacking energy: -556.269 Base-Backbone interact. energy: 0.344 local terms energy: -608.960869 where: bonds (distance) C4'-P energy: -118.538 bonds (distance) P-C4' energy: -118.731 flat angles C4'-P-C4' energy: -118.915 flat angles P-C4'-P energy: -97.389 tors. eta vs tors. theta energy: -155.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1785.764543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.764543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.764543 (E_RNA) where: Base-Base interactions energy: -1208.528 where: short stacking energy: -524.687 Base-Backbone interact. energy: -0.791 local terms energy: -576.445334 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -111.668 flat angles C4'-P-C4' energy: -127.972 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -147.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1631.638696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.638696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.638696 (E_RNA) where: Base-Base interactions energy: -1077.895 where: short stacking energy: -500.718 Base-Backbone interact. energy: -2.133 local terms energy: -551.610694 where: bonds (distance) C4'-P energy: -110.514 bonds (distance) P-C4' energy: -104.636 flat angles C4'-P-C4' energy: -127.543 flat angles P-C4'-P energy: -74.676 tors. eta vs tors. theta energy: -134.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1196.405399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.405399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.405399 (E_RNA) where: Base-Base interactions energy: -753.287 where: short stacking energy: -348.318 Base-Backbone interact. energy: 2.263 local terms energy: -445.381305 where: bonds (distance) C4'-P energy: -95.953 bonds (distance) P-C4' energy: -106.182 flat angles C4'-P-C4' energy: -127.310 flat angles P-C4'-P energy: -63.178 tors. eta vs tors. theta energy: -52.758 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: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -798.265216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.265216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.265216 (E_RNA) where: Base-Base interactions energy: -407.192 where: short stacking energy: -242.922 Base-Backbone interact. energy: -3.039 local terms energy: -388.033593 where: bonds (distance) C4'-P energy: -104.806 bonds (distance) P-C4' energy: -110.260 flat angles C4'-P-C4' energy: -93.991 flat angles P-C4'-P energy: -59.775 tors. eta vs tors. theta energy: -19.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -771.020347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.020347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.020347 (E_RNA) where: Base-Base interactions energy: -426.433 where: short stacking energy: -206.875 Base-Backbone interact. energy: -1.043 local terms energy: -343.543732 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -102.131 flat angles P-C4'-P energy: -63.521 tors. eta vs tors. theta energy: 3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -557.713307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.713307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.713307 (E_RNA) where: Base-Base interactions energy: -250.345 where: short stacking energy: -160.072 Base-Backbone interact. energy: 0.686 local terms energy: -308.054000 where: bonds (distance) C4'-P energy: -101.933 bonds (distance) P-C4' energy: -94.758 flat angles C4'-P-C4' energy: -76.384 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: 22.840 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: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2215.234000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.234000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.234000 (E_RNA) where: Base-Base interactions energy: -1510.634 where: short stacking energy: -645.683 Base-Backbone interact. energy: -2.907 local terms energy: -701.693730 where: bonds (distance) C4'-P energy: -124.207 bonds (distance) P-C4' energy: -123.551 flat angles C4'-P-C4' energy: -137.745 flat angles P-C4'-P energy: -107.638 tors. eta vs tors. theta energy: -208.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2139.187697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.187697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.187697 (E_RNA) where: Base-Base interactions energy: -1481.129 where: short stacking energy: -634.746 Base-Backbone interact. energy: -1.156 local terms energy: -656.902887 where: bonds (distance) C4'-P energy: -103.974 bonds (distance) P-C4' energy: -127.004 flat angles C4'-P-C4' energy: -138.793 flat angles P-C4'-P energy: -97.348 tors. eta vs tors. theta energy: -189.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1992.738329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.738329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.738329 (E_RNA) where: Base-Base interactions energy: -1401.052 where: short stacking energy: -592.150 Base-Backbone interact. energy: -0.968 local terms energy: -590.717860 where: bonds (distance) C4'-P energy: -105.700 bonds (distance) P-C4' energy: -111.234 flat angles C4'-P-C4' energy: -140.780 flat angles P-C4'-P energy: -83.541 tors. eta vs tors. theta energy: -149.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1825.114439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.114439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.114439 (E_RNA) where: Base-Base interactions energy: -1218.489 where: short stacking energy: -507.926 Base-Backbone interact. energy: -1.310 local terms energy: -605.315556 where: bonds (distance) C4'-P energy: -129.644 bonds (distance) P-C4' energy: -131.718 flat angles C4'-P-C4' energy: -137.339 flat angles P-C4'-P energy: -82.642 tors. eta vs tors. theta energy: -123.973 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: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1760.049208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.049208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.049208 (E_RNA) where: Base-Base interactions energy: -1170.273 where: short stacking energy: -509.268 Base-Backbone interact. energy: -1.803 local terms energy: -587.973090 where: bonds (distance) C4'-P energy: -110.281 bonds (distance) P-C4' energy: -110.532 flat angles C4'-P-C4' energy: -126.480 flat angles P-C4'-P energy: -86.310 tors. eta vs tors. theta energy: -154.371 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: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1577.832708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.832708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.832708 (E_RNA) where: Base-Base interactions energy: -1052.433 where: short stacking energy: -469.996 Base-Backbone interact. energy: 0.719 local terms energy: -526.118914 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -124.764 flat angles P-C4'-P energy: -70.250 tors. eta vs tors. theta energy: -122.811 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: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1166.785705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.785705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.785705 (E_RNA) where: Base-Base interactions energy: -710.628 where: short stacking energy: -350.146 Base-Backbone interact. energy: -0.529 local terms energy: -455.629172 where: bonds (distance) C4'-P energy: -105.383 bonds (distance) P-C4' energy: -107.199 flat angles C4'-P-C4' energy: -106.213 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -70.269 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: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -803.809894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.809894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.809894 (E_RNA) where: Base-Base interactions energy: -392.836 where: short stacking energy: -220.121 Base-Backbone interact. energy: 6.872 local terms energy: -417.846492 where: bonds (distance) C4'-P energy: -102.786 bonds (distance) P-C4' energy: -113.890 flat angles C4'-P-C4' energy: -105.942 flat angles P-C4'-P energy: -74.022 tors. eta vs tors. theta energy: -21.207 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: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -770.628244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.628244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.628244 (E_RNA) where: Base-Base interactions energy: -386.553 where: short stacking energy: -213.955 Base-Backbone interact. energy: 1.171 local terms energy: -385.246806 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -118.189 flat angles C4'-P-C4' energy: -100.153 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -7.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -491.261018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.261018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.261018 (E_RNA) where: Base-Base interactions energy: -171.151 where: short stacking energy: -121.322 Base-Backbone interact. energy: 3.835 local terms energy: -323.945139 where: bonds (distance) C4'-P energy: -103.307 bonds (distance) P-C4' energy: -109.516 flat angles C4'-P-C4' energy: -83.194 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: 39.005 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: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2236.682763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.682763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.682763 (E_RNA) where: Base-Base interactions energy: -1528.261 where: short stacking energy: -657.386 Base-Backbone interact. energy: -2.496 local terms energy: -705.925357 where: bonds (distance) C4'-P energy: -132.313 bonds (distance) P-C4' energy: -123.607 flat angles C4'-P-C4' energy: -149.781 flat angles P-C4'-P energy: -94.871 tors. eta vs tors. theta energy: -205.352 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: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2155.139885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.139885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.139885 (E_RNA) where: Base-Base interactions energy: -1501.430 where: short stacking energy: -644.311 Base-Backbone interact. energy: -3.155 local terms energy: -650.555373 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -137.549 flat angles P-C4'-P energy: -77.761 tors. eta vs tors. theta energy: -190.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1941.250691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.250691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.250691 (E_RNA) where: Base-Base interactions energy: -1352.249 where: short stacking energy: -576.429 Base-Backbone interact. energy: -0.784 local terms energy: -588.218114 where: bonds (distance) C4'-P energy: -104.520 bonds (distance) P-C4' energy: -111.179 flat angles C4'-P-C4' energy: -134.794 flat angles P-C4'-P energy: -79.053 tors. eta vs tors. theta energy: -158.672 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: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1845.091871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.091871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.091871 (E_RNA) where: Base-Base interactions energy: -1258.434 where: short stacking energy: -528.345 Base-Backbone interact. energy: -3.298 local terms energy: -583.359556 where: bonds (distance) C4'-P energy: -115.065 bonds (distance) P-C4' energy: -114.487 flat angles C4'-P-C4' energy: -138.547 flat angles P-C4'-P energy: -71.251 tors. eta vs tors. theta energy: -144.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1823.895160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.895160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.895160 (E_RNA) where: Base-Base interactions energy: -1224.079 where: short stacking energy: -539.486 Base-Backbone interact. energy: -0.819 local terms energy: -598.996658 where: bonds (distance) C4'-P energy: -111.470 bonds (distance) P-C4' energy: -108.056 flat angles C4'-P-C4' energy: -125.451 flat angles P-C4'-P energy: -89.600 tors. eta vs tors. theta energy: -164.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1591.788505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.788505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.788505 (E_RNA) where: Base-Base interactions energy: -1064.182 where: short stacking energy: -472.778 Base-Backbone interact. energy: -0.675 local terms energy: -526.932177 where: bonds (distance) C4'-P energy: -105.968 bonds (distance) P-C4' energy: -108.177 flat angles C4'-P-C4' energy: -119.946 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -117.418 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: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1142.257878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.257878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.257878 (E_RNA) where: Base-Base interactions energy: -700.147 where: short stacking energy: -354.300 Base-Backbone interact. energy: -0.800 local terms energy: -441.310632 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -106.885 flat angles C4'-P-C4' energy: -119.374 flat angles P-C4'-P energy: -59.923 tors. eta vs tors. theta energy: -55.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -857.471632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.471632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.471632 (E_RNA) where: Base-Base interactions energy: -450.481 where: short stacking energy: -248.690 Base-Backbone interact. energy: 0.145 local terms energy: -407.136326 where: bonds (distance) C4'-P energy: -124.827 bonds (distance) P-C4' energy: -118.401 flat angles C4'-P-C4' energy: -87.213 flat angles P-C4'-P energy: -57.192 tors. eta vs tors. theta energy: -19.503 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: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -789.568435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.568435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.568435 (E_RNA) where: Base-Base interactions energy: -415.149 where: short stacking energy: -221.672 Base-Backbone interact. energy: -1.165 local terms energy: -373.253650 where: bonds (distance) C4'-P energy: -102.300 bonds (distance) P-C4' energy: -102.003 flat angles C4'-P-C4' energy: -102.175 flat angles P-C4'-P energy: -73.230 tors. eta vs tors. theta energy: 6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -518.797212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.797212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.797212 (E_RNA) where: Base-Base interactions energy: -198.611 where: short stacking energy: -149.578 Base-Backbone interact. energy: 3.539 local terms energy: -323.724680 where: bonds (distance) C4'-P energy: -103.534 bonds (distance) P-C4' energy: -108.057 flat angles C4'-P-C4' energy: -88.655 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: 30.184 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: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2245.245850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.245850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.245850 (E_RNA) where: Base-Base interactions energy: -1542.479 where: short stacking energy: -693.422 Base-Backbone interact. energy: -2.277 local terms energy: -700.490313 where: bonds (distance) C4'-P energy: -112.660 bonds (distance) P-C4' energy: -136.770 flat angles C4'-P-C4' energy: -144.741 flat angles P-C4'-P energy: -95.619 tors. eta vs tors. theta energy: -210.700 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: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2156.161847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.161847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.161847 (E_RNA) where: Base-Base interactions energy: -1484.636 where: short stacking energy: -647.831 Base-Backbone interact. energy: -3.573 local terms energy: -667.952736 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -126.637 flat angles C4'-P-C4' energy: -145.074 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -191.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1983.146739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.146739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.146739 (E_RNA) where: Base-Base interactions energy: -1387.004 where: short stacking energy: -585.900 Base-Backbone interact. energy: -2.023 local terms energy: -594.120358 where: bonds (distance) C4'-P energy: -98.619 bonds (distance) P-C4' energy: -115.129 flat angles C4'-P-C4' energy: -133.304 flat angles P-C4'-P energy: -96.072 tors. eta vs tors. theta energy: -150.996 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: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1870.649277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.649277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.649277 (E_RNA) where: Base-Base interactions energy: -1270.806 where: short stacking energy: -552.204 Base-Backbone interact. energy: -3.574 local terms energy: -596.269384 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -137.784 flat angles C4'-P-C4' energy: -123.143 flat angles P-C4'-P energy: -84.535 tors. eta vs tors. theta energy: -151.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1860.265028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.265028 (E_RNA) where: Base-Base interactions energy: -1249.813 where: short stacking energy: -543.308 Base-Backbone interact. energy: 2.260 local terms energy: -612.711729 where: bonds (distance) C4'-P energy: -109.819 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -134.780 flat angles P-C4'-P energy: -85.629 tors. eta vs tors. theta energy: -166.447 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: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1632.428477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.428477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.428477 (E_RNA) where: Base-Base interactions energy: -1067.291 where: short stacking energy: -469.498 Base-Backbone interact. energy: -0.227 local terms energy: -564.910569 where: bonds (distance) C4'-P energy: -115.193 bonds (distance) P-C4' energy: -127.183 flat angles C4'-P-C4' energy: -112.088 flat angles P-C4'-P energy: -78.950 tors. eta vs tors. theta energy: -131.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1142.161220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.161220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.161220 (E_RNA) where: Base-Base interactions energy: -697.721 where: short stacking energy: -336.290 Base-Backbone interact. energy: -0.626 local terms energy: -443.813566 where: bonds (distance) C4'-P energy: -98.336 bonds (distance) P-C4' energy: -95.067 flat angles C4'-P-C4' energy: -128.742 flat angles P-C4'-P energy: -64.259 tors. eta vs tors. theta energy: -57.410 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: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -900.909305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.909305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.909305 (E_RNA) where: Base-Base interactions energy: -498.619 where: short stacking energy: -261.510 Base-Backbone interact. energy: 1.989 local terms energy: -404.278708 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -118.072 flat angles C4'-P-C4' energy: -93.264 flat angles P-C4'-P energy: -61.278 tors. eta vs tors. theta energy: -34.574 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: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -782.654890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.654890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.654890 (E_RNA) where: Base-Base interactions energy: -396.899 where: short stacking energy: -214.042 Base-Backbone interact. energy: -3.294 local terms energy: -382.462326 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -115.556 flat angles C4'-P-C4' energy: -101.953 flat angles P-C4'-P energy: -46.040 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -545.225646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.225646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.225646 (E_RNA) where: Base-Base interactions energy: -262.117 where: short stacking energy: -179.498 Base-Backbone interact. energy: 10.115 local terms energy: -293.223727 where: bonds (distance) C4'-P energy: -89.022 bonds (distance) P-C4' energy: -103.105 flat angles C4'-P-C4' energy: -66.412 flat angles P-C4'-P energy: -37.155 tors. eta vs tors. theta energy: 2.470 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: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2234.854273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.854273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.854273 (E_RNA) where: Base-Base interactions energy: -1514.807 where: short stacking energy: -662.889 Base-Backbone interact. energy: -2.707 local terms energy: -717.339550 where: bonds (distance) C4'-P energy: -126.619 bonds (distance) P-C4' energy: -139.799 flat angles C4'-P-C4' energy: -145.610 flat angles P-C4'-P energy: -103.956 tors. eta vs tors. theta energy: -201.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2136.562998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.562998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.562998 (E_RNA) where: Base-Base interactions energy: -1479.437 where: short stacking energy: -639.672 Base-Backbone interact. energy: -2.129 local terms energy: -654.996889 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -131.457 flat angles P-C4'-P energy: -88.742 tors. eta vs tors. theta energy: -187.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1960.796507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.796507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.796507 (E_RNA) where: Base-Base interactions energy: -1348.650 where: short stacking energy: -572.302 Base-Backbone interact. energy: -1.857 local terms energy: -610.289028 where: bonds (distance) C4'-P energy: -102.705 bonds (distance) P-C4' energy: -118.504 flat angles C4'-P-C4' energy: -141.630 flat angles P-C4'-P energy: -91.124 tors. eta vs tors. theta energy: -156.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1906.482165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.482165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.482165 (E_RNA) where: Base-Base interactions energy: -1295.831 where: short stacking energy: -591.604 Base-Backbone interact. energy: -0.495 local terms energy: -610.156597 where: bonds (distance) C4'-P energy: -102.287 bonds (distance) P-C4' energy: -113.564 flat angles C4'-P-C4' energy: -137.194 flat angles P-C4'-P energy: -80.402 tors. eta vs tors. theta energy: -176.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1808.234688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.234688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.234688 (E_RNA) where: Base-Base interactions energy: -1236.024 where: short stacking energy: -567.308 Base-Backbone interact. energy: -2.804 local terms energy: -569.406846 where: bonds (distance) C4'-P energy: -110.324 bonds (distance) P-C4' energy: -101.064 flat angles C4'-P-C4' energy: -133.493 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -148.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1692.549558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.549558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.549558 (E_RNA) where: Base-Base interactions energy: -1139.013 where: short stacking energy: -508.825 Base-Backbone interact. energy: -0.500 local terms energy: -553.036563 where: bonds (distance) C4'-P energy: -96.654 bonds (distance) P-C4' energy: -111.951 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -85.454 tors. eta vs tors. theta energy: -132.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1193.115669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.115669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.115669 (E_RNA) where: Base-Base interactions energy: -740.597 where: short stacking energy: -359.809 Base-Backbone interact. energy: -1.325 local terms energy: -451.193691 where: bonds (distance) C4'-P energy: -101.114 bonds (distance) P-C4' energy: -102.992 flat angles C4'-P-C4' energy: -114.260 flat angles P-C4'-P energy: -72.821 tors. eta vs tors. theta energy: -60.006 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: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -962.287057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.287057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.287057 (E_RNA) where: Base-Base interactions energy: -540.297 where: short stacking energy: -286.920 Base-Backbone interact. energy: 1.694 local terms energy: -423.683818 where: bonds (distance) C4'-P energy: -106.055 bonds (distance) P-C4' energy: -114.090 flat angles C4'-P-C4' energy: -102.422 flat angles P-C4'-P energy: -58.508 tors. eta vs tors. theta energy: -42.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -761.251429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.251429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.251429 (E_RNA) where: Base-Base interactions energy: -391.789 where: short stacking energy: -222.159 Base-Backbone interact. energy: 4.006 local terms energy: -373.467766 where: bonds (distance) C4'-P energy: -106.224 bonds (distance) P-C4' energy: -98.804 flat angles C4'-P-C4' energy: -83.824 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -17.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -568.448083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.448083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.448083 (E_RNA) where: Base-Base interactions energy: -224.394 where: short stacking energy: -134.137 Base-Backbone interact. energy: -0.746 local terms energy: -343.307662 where: bonds (distance) C4'-P energy: -98.433 bonds (distance) P-C4' energy: -112.255 flat angles C4'-P-C4' energy: -89.082 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: 22.871 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: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2237.252550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.252550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.252550 (E_RNA) where: Base-Base interactions energy: -1524.102 where: short stacking energy: -677.096 Base-Backbone interact. energy: 0.368 local terms energy: -713.518553 where: bonds (distance) C4'-P energy: -126.905 bonds (distance) P-C4' energy: -137.851 flat angles C4'-P-C4' energy: -154.189 flat angles P-C4'-P energy: -91.657 tors. eta vs tors. theta energy: -202.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2123.766188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.766188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.766188 (E_RNA) where: Base-Base interactions energy: -1458.710 where: short stacking energy: -615.718 Base-Backbone interact. energy: -3.012 local terms energy: -662.044017 where: bonds (distance) C4'-P energy: -122.899 bonds (distance) P-C4' energy: -119.943 flat angles C4'-P-C4' energy: -138.184 flat angles P-C4'-P energy: -96.564 tors. eta vs tors. theta energy: -184.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1988.282986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.282986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.282986 (E_RNA) where: Base-Base interactions energy: -1334.048 where: short stacking energy: -597.137 Base-Backbone interact. energy: 0.882 local terms energy: -655.116766 where: bonds (distance) C4'-P energy: -119.216 bonds (distance) P-C4' energy: -122.510 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -90.651 tors. eta vs tors. theta energy: -187.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1881.088031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.088031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.088031 (E_RNA) where: Base-Base interactions energy: -1288.994 where: short stacking energy: -546.616 Base-Backbone interact. energy: 0.243 local terms energy: -592.337209 where: bonds (distance) C4'-P energy: -133.273 bonds (distance) P-C4' energy: -105.380 flat angles C4'-P-C4' energy: -137.412 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -148.516 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: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1784.959519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.959519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.959519 (E_RNA) where: Base-Base interactions energy: -1207.043 where: short stacking energy: -528.342 Base-Backbone interact. energy: -2.228 local terms energy: -575.688826 where: bonds (distance) C4'-P energy: -120.066 bonds (distance) P-C4' energy: -115.483 flat angles C4'-P-C4' energy: -122.900 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -138.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1677.284122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.284122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.284122 (E_RNA) where: Base-Base interactions energy: -1090.010 where: short stacking energy: -488.132 Base-Backbone interact. energy: 2.471 local terms energy: -589.745012 where: bonds (distance) C4'-P energy: -116.298 bonds (distance) P-C4' energy: -131.453 flat angles C4'-P-C4' energy: -119.769 flat angles P-C4'-P energy: -80.730 tors. eta vs tors. theta energy: -141.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1210.505729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.505729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.505729 (E_RNA) where: Base-Base interactions energy: -762.487 where: short stacking energy: -377.746 Base-Backbone interact. energy: 0.287 local terms energy: -448.305596 where: bonds (distance) C4'-P energy: -92.477 bonds (distance) P-C4' energy: -109.336 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -68.729 tors. eta vs tors. theta energy: -65.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -929.225721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.225721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.225721 (E_RNA) where: Base-Base interactions energy: -551.302 where: short stacking energy: -274.267 Base-Backbone interact. energy: 0.134 local terms energy: -378.058487 where: bonds (distance) C4'-P energy: -101.658 bonds (distance) P-C4' energy: -108.060 flat angles C4'-P-C4' energy: -92.228 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: -16.096 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: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -775.388399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.388399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.388399 (E_RNA) where: Base-Base interactions energy: -396.853 where: short stacking energy: -241.057 Base-Backbone interact. energy: 1.066 local terms energy: -379.601494 where: bonds (distance) C4'-P energy: -96.989 bonds (distance) P-C4' energy: -93.957 flat angles C4'-P-C4' energy: -100.274 flat angles P-C4'-P energy: -70.425 tors. eta vs tors. theta energy: -17.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -595.710030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.710030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.710030 (E_RNA) where: Base-Base interactions energy: -253.768 where: short stacking energy: -173.702 Base-Backbone interact. energy: 3.396 local terms energy: -345.337585 where: bonds (distance) C4'-P energy: -89.182 bonds (distance) P-C4' energy: -112.804 flat angles C4'-P-C4' energy: -78.675 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: 1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2230.392266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.392266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.392266 (E_RNA) where: Base-Base interactions energy: -1514.206 where: short stacking energy: -682.893 Base-Backbone interact. energy: -3.323 local terms energy: -712.862993 where: bonds (distance) C4'-P energy: -132.462 bonds (distance) P-C4' energy: -135.476 flat angles C4'-P-C4' energy: -139.781 flat angles P-C4'-P energy: -101.305 tors. eta vs tors. theta energy: -203.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2159.037158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.037158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.037158 (E_RNA) where: Base-Base interactions energy: -1496.097 where: short stacking energy: -637.836 Base-Backbone interact. energy: -5.525 local terms energy: -657.415498 where: bonds (distance) C4'-P energy: -106.208 bonds (distance) P-C4' energy: -124.213 flat angles C4'-P-C4' energy: -138.013 flat angles P-C4'-P energy: -92.536 tors. eta vs tors. theta energy: -196.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2019.801755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.801755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.801755 (E_RNA) where: Base-Base interactions energy: -1331.661 where: short stacking energy: -597.814 Base-Backbone interact. energy: -2.787 local terms energy: -685.353422 where: bonds (distance) C4'-P energy: -126.594 bonds (distance) P-C4' energy: -119.740 flat angles C4'-P-C4' energy: -140.195 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -189.374 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1923.632840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.632840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.632840 (E_RNA) where: Base-Base interactions energy: -1314.114 where: short stacking energy: -543.398 Base-Backbone interact. energy: 0.342 local terms energy: -609.860876 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -129.430 flat angles C4'-P-C4' energy: -134.117 flat angles P-C4'-P energy: -75.069 tors. eta vs tors. theta energy: -152.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1760.075351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.075351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.075351 (E_RNA) where: Base-Base interactions energy: -1192.727 where: short stacking energy: -500.392 Base-Backbone interact. energy: -0.016 local terms energy: -567.332474 where: bonds (distance) C4'-P energy: -102.867 bonds (distance) P-C4' energy: -124.726 flat angles C4'-P-C4' energy: -130.863 flat angles P-C4'-P energy: -88.538 tors. eta vs tors. theta energy: -120.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1629.872686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.872686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.872686 (E_RNA) where: Base-Base interactions energy: -1088.346 where: short stacking energy: -518.439 Base-Backbone interact. energy: 0.107 local terms energy: -541.634006 where: bonds (distance) C4'-P energy: -90.184 bonds (distance) P-C4' energy: -119.343 flat angles C4'-P-C4' energy: -114.341 flat angles P-C4'-P energy: -75.607 tors. eta vs tors. theta energy: -142.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1181.600909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.600909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.600909 (E_RNA) where: Base-Base interactions energy: -758.793 where: short stacking energy: -385.833 Base-Backbone interact. energy: 1.577 local terms energy: -424.385135 where: bonds (distance) C4'-P energy: -94.611 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -90.842 flat angles P-C4'-P energy: -54.077 tors. eta vs tors. theta energy: -74.246 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: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -940.423524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.423524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.423524 (E_RNA) where: Base-Base interactions energy: -515.013 where: short stacking energy: -267.211 Base-Backbone interact. energy: -1.725 local terms energy: -423.685728 where: bonds (distance) C4'-P energy: -109.464 bonds (distance) P-C4' energy: -106.946 flat angles C4'-P-C4' energy: -108.396 flat angles P-C4'-P energy: -71.690 tors. eta vs tors. theta energy: -27.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -756.625583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.625583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.625583 (E_RNA) where: Base-Base interactions energy: -385.138 where: short stacking energy: -192.848 Base-Backbone interact. energy: 3.335 local terms energy: -374.822784 where: bonds (distance) C4'-P energy: -109.447 bonds (distance) P-C4' energy: -111.882 flat angles C4'-P-C4' energy: -96.643 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -8.616 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: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -538.740226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.740226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.740226 (E_RNA) where: Base-Base interactions energy: -245.082 where: short stacking energy: -177.077 Base-Backbone interact. energy: 3.601 local terms energy: -297.259591 where: bonds (distance) C4'-P energy: -86.447 bonds (distance) P-C4' energy: -95.302 flat angles C4'-P-C4' energy: -72.864 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2226.670964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.670964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.670964 (E_RNA) where: Base-Base interactions energy: -1531.237 where: short stacking energy: -688.736 Base-Backbone interact. energy: -2.600 local terms energy: -692.834638 where: bonds (distance) C4'-P energy: -123.330 bonds (distance) P-C4' energy: -123.498 flat angles C4'-P-C4' energy: -146.735 flat angles P-C4'-P energy: -95.215 tors. eta vs tors. theta energy: -204.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2151.383207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.383207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.383207 (E_RNA) where: Base-Base interactions energy: -1467.690 where: short stacking energy: -636.529 Base-Backbone interact. energy: 1.627 local terms energy: -685.319710 where: bonds (distance) C4'-P energy: -113.480 bonds (distance) P-C4' energy: -134.756 flat angles C4'-P-C4' energy: -148.552 flat angles P-C4'-P energy: -93.751 tors. eta vs tors. theta energy: -194.780 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: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2023.166721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.166721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.166721 (E_RNA) where: Base-Base interactions energy: -1364.711 where: short stacking energy: -625.087 Base-Backbone interact. energy: 0.520 local terms energy: -658.975684 where: bonds (distance) C4'-P energy: -127.054 bonds (distance) P-C4' energy: -130.519 flat angles C4'-P-C4' energy: -128.754 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -195.081 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: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1906.235992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.235992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.235992 (E_RNA) where: Base-Base interactions energy: -1305.939 where: short stacking energy: -555.158 Base-Backbone interact. energy: -1.355 local terms energy: -598.942344 where: bonds (distance) C4'-P energy: -107.791 bonds (distance) P-C4' energy: -119.236 flat angles C4'-P-C4' energy: -133.106 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -148.690 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: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1700.182986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.182986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.182986 (E_RNA) where: Base-Base interactions energy: -1137.663 where: short stacking energy: -492.449 Base-Backbone interact. energy: -2.263 local terms energy: -560.256635 where: bonds (distance) C4'-P energy: -121.769 bonds (distance) P-C4' energy: -108.346 flat angles C4'-P-C4' energy: -121.257 flat angles P-C4'-P energy: -79.537 tors. eta vs tors. theta energy: -129.347 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: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1692.737517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.737517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.737517 (E_RNA) where: Base-Base interactions energy: -1159.699 where: short stacking energy: -506.529 Base-Backbone interact. energy: -0.101 local terms energy: -532.936847 where: bonds (distance) C4'-P energy: -96.755 bonds (distance) P-C4' energy: -123.336 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -72.307 tors. eta vs tors. theta energy: -120.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1297.733597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.733597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.733597 (E_RNA) where: Base-Base interactions energy: -808.056 where: short stacking energy: -381.681 Base-Backbone interact. energy: 0.233 local terms energy: -489.910172 where: bonds (distance) C4'-P energy: -121.224 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -112.039 flat angles P-C4'-P energy: -72.959 tors. eta vs tors. theta energy: -73.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -854.858790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.858790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.858790 (E_RNA) where: Base-Base interactions energy: -470.647 where: short stacking energy: -242.453 Base-Backbone interact. energy: -2.954 local terms energy: -381.258396 where: bonds (distance) C4'-P energy: -105.143 bonds (distance) P-C4' energy: -99.795 flat angles C4'-P-C4' energy: -101.123 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -18.207 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: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -771.428568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.428568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.428568 (E_RNA) where: Base-Base interactions energy: -420.615 where: short stacking energy: -242.628 Base-Backbone interact. energy: 7.361 local terms energy: -358.174370 where: bonds (distance) C4'-P energy: -105.202 bonds (distance) P-C4' energy: -117.146 flat angles C4'-P-C4' energy: -77.618 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -543.661452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.661452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.661452 (E_RNA) where: Base-Base interactions energy: -201.716 where: short stacking energy: -137.460 Base-Backbone interact. energy: 2.026 local terms energy: -343.971763 where: bonds (distance) C4'-P energy: -94.010 bonds (distance) P-C4' energy: -112.285 flat angles C4'-P-C4' energy: -97.271 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: 12.510 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: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2234.566477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.566477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.566477 (E_RNA) where: Base-Base interactions energy: -1528.565 where: short stacking energy: -675.019 Base-Backbone interact. energy: -2.426 local terms energy: -703.575099 where: bonds (distance) C4'-P energy: -133.131 bonds (distance) P-C4' energy: -124.207 flat angles C4'-P-C4' energy: -148.700 flat angles P-C4'-P energy: -92.632 tors. eta vs tors. theta energy: -204.905 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2072.579702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.579702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.579702 (E_RNA) where: Base-Base interactions energy: -1436.836 where: short stacking energy: -595.676 Base-Backbone interact. energy: -2.631 local terms energy: -633.112427 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -115.031 flat angles C4'-P-C4' energy: -138.060 flat angles P-C4'-P energy: -89.165 tors. eta vs tors. theta energy: -179.130 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: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2045.329309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.329309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.329309 (E_RNA) where: Base-Base interactions energy: -1403.127 where: short stacking energy: -588.328 Base-Backbone interact. energy: -1.444 local terms energy: -640.758980 where: bonds (distance) C4'-P energy: -134.588 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -140.976 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -173.329 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: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1892.481680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.481680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.481680 (E_RNA) where: Base-Base interactions energy: -1278.191 where: short stacking energy: -519.928 Base-Backbone interact. energy: 2.227 local terms energy: -616.517508 where: bonds (distance) C4'-P energy: -123.826 bonds (distance) P-C4' energy: -118.307 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -87.043 tors. eta vs tors. theta energy: -150.772 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: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1680.194601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.194601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.194601 (E_RNA) where: Base-Base interactions energy: -1104.956 where: short stacking energy: -510.453 Base-Backbone interact. energy: 0.769 local terms energy: -576.007432 where: bonds (distance) C4'-P energy: -102.629 bonds (distance) P-C4' energy: -125.570 flat angles C4'-P-C4' energy: -127.942 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -145.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1621.092742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.092742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.092742 (E_RNA) where: Base-Base interactions energy: -1089.534 where: short stacking energy: -466.678 Base-Backbone interact. energy: -4.554 local terms energy: -527.004982 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -87.444 flat angles C4'-P-C4' energy: -133.632 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -124.411 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: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1298.936076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.936076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.936076 (E_RNA) where: Base-Base interactions energy: -814.774 where: short stacking energy: -385.336 Base-Backbone interact. energy: 2.457 local terms energy: -486.619154 where: bonds (distance) C4'-P energy: -107.047 bonds (distance) P-C4' energy: -124.708 flat angles C4'-P-C4' energy: -113.724 flat angles P-C4'-P energy: -72.040 tors. eta vs tors. theta energy: -69.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -815.861582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.861582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.861582 (E_RNA) where: Base-Base interactions energy: -441.871 where: short stacking energy: -236.158 Base-Backbone interact. energy: 3.050 local terms energy: -377.039992 where: bonds (distance) C4'-P energy: -106.041 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -94.496 flat angles P-C4'-P energy: -44.654 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: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -793.445755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.445755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.445755 (E_RNA) where: Base-Base interactions energy: -429.043 where: short stacking energy: -253.211 Base-Backbone interact. energy: -2.336 local terms energy: -362.066985 where: bonds (distance) C4'-P energy: -97.208 bonds (distance) P-C4' energy: -110.579 flat angles C4'-P-C4' energy: -92.854 flat angles P-C4'-P energy: -57.012 tors. eta vs tors. theta energy: -4.415 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: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -582.352897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.352897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.352897 (E_RNA) where: Base-Base interactions energy: -272.634 where: short stacking energy: -180.627 Base-Backbone interact. energy: 10.485 local terms energy: -320.204316 where: bonds (distance) C4'-P energy: -110.453 bonds (distance) P-C4' energy: -104.511 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -37.944 tors. eta vs tors. theta energy: 8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2276.737406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.737406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.737406 (E_RNA) where: Base-Base interactions energy: -1558.163 where: short stacking energy: -672.876 Base-Backbone interact. energy: -2.836 local terms energy: -715.738432 where: bonds (distance) C4'-P energy: -126.405 bonds (distance) P-C4' energy: -127.987 flat angles C4'-P-C4' energy: -160.054 flat angles P-C4'-P energy: -100.442 tors. eta vs tors. theta energy: -200.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2104.004632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.004632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.004632 (E_RNA) where: Base-Base interactions energy: -1446.684 where: short stacking energy: -600.014 Base-Backbone interact. energy: -4.556 local terms energy: -652.763847 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -122.160 flat angles C4'-P-C4' energy: -135.297 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -183.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2069.164792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.164792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.164792 (E_RNA) where: Base-Base interactions energy: -1447.277 where: short stacking energy: -621.439 Base-Backbone interact. energy: -4.951 local terms energy: -616.937396 where: bonds (distance) C4'-P energy: -103.314 bonds (distance) P-C4' energy: -116.798 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -182.358 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: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1874.660019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.660019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.660019 (E_RNA) where: Base-Base interactions energy: -1252.914 where: short stacking energy: -550.587 Base-Backbone interact. energy: -3.354 local terms energy: -618.391754 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -128.581 flat angles C4'-P-C4' energy: -127.944 flat angles P-C4'-P energy: -78.707 tors. eta vs tors. theta energy: -169.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1691.441415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.441415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.441415 (E_RNA) where: Base-Base interactions energy: -1103.309 where: short stacking energy: -467.527 Base-Backbone interact. energy: 0.091 local terms energy: -588.222862 where: bonds (distance) C4'-P energy: -106.152 bonds (distance) P-C4' energy: -114.795 flat angles C4'-P-C4' energy: -132.294 flat angles P-C4'-P energy: -96.181 tors. eta vs tors. theta energy: -138.801 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: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1621.717521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.717521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.717521 (E_RNA) where: Base-Base interactions energy: -1076.722 where: short stacking energy: -500.688 Base-Backbone interact. energy: 5.222 local terms energy: -550.217860 where: bonds (distance) C4'-P energy: -99.423 bonds (distance) P-C4' energy: -122.993 flat angles C4'-P-C4' energy: -130.704 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -125.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1193.531914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.531914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.531914 (E_RNA) where: Base-Base interactions energy: -725.448 where: short stacking energy: -331.454 Base-Backbone interact. energy: -5.010 local terms energy: -463.073706 where: bonds (distance) C4'-P energy: -107.666 bonds (distance) P-C4' energy: -105.421 flat angles C4'-P-C4' energy: -114.771 flat angles P-C4'-P energy: -75.378 tors. eta vs tors. theta energy: -59.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -835.206478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.206478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.206478 (E_RNA) where: Base-Base interactions energy: -450.679 where: short stacking energy: -243.697 Base-Backbone interact. energy: 0.036 local terms energy: -384.564190 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -107.317 flat angles C4'-P-C4' energy: -94.261 flat angles P-C4'-P energy: -62.568 tors. eta vs tors. theta energy: -23.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -761.057353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.057353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.057353 (E_RNA) where: Base-Base interactions energy: -407.731 where: short stacking energy: -215.094 Base-Backbone interact. energy: -1.805 local terms energy: -351.521025 where: bonds (distance) C4'-P energy: -95.045 bonds (distance) P-C4' energy: -106.148 flat angles C4'-P-C4' energy: -78.069 flat angles P-C4'-P energy: -68.951 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: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -539.677256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.677256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.677256 (E_RNA) where: Base-Base interactions energy: -210.553 where: short stacking energy: -176.002 Base-Backbone interact. energy: 0.246 local terms energy: -329.370722 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -96.298 flat angles C4'-P-C4' energy: -84.209 flat angles P-C4'-P energy: -74.085 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: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2253.383590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.383590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.383590 (E_RNA) where: Base-Base interactions energy: -1538.278 where: short stacking energy: -667.580 Base-Backbone interact. energy: -4.744 local terms energy: -710.361586 where: bonds (distance) C4'-P energy: -118.964 bonds (distance) P-C4' energy: -127.000 flat angles C4'-P-C4' energy: -155.673 flat angles P-C4'-P energy: -106.168 tors. eta vs tors. theta energy: -202.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2068.351990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.351990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.351990 (E_RNA) where: Base-Base interactions energy: -1404.288 where: short stacking energy: -601.822 Base-Backbone interact. energy: -1.967 local terms energy: -662.096917 where: bonds (distance) C4'-P energy: -120.633 bonds (distance) P-C4' energy: -116.560 flat angles C4'-P-C4' energy: -145.212 flat angles P-C4'-P energy: -90.148 tors. eta vs tors. theta energy: -189.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2052.503737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.503737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.503737 (E_RNA) where: Base-Base interactions energy: -1391.136 where: short stacking energy: -610.558 Base-Backbone interact. energy: 0.745 local terms energy: -662.112737 where: bonds (distance) C4'-P energy: -122.884 bonds (distance) P-C4' energy: -113.946 flat angles C4'-P-C4' energy: -140.742 flat angles P-C4'-P energy: -96.940 tors. eta vs tors. theta energy: -187.600 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: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1939.393890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.393890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.393890 (E_RNA) where: Base-Base interactions energy: -1342.121 where: short stacking energy: -562.334 Base-Backbone interact. energy: -3.475 local terms energy: -593.797480 where: bonds (distance) C4'-P energy: -115.442 bonds (distance) P-C4' energy: -126.150 flat angles C4'-P-C4' energy: -125.113 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -155.578 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: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1762.131722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.131722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.131722 (E_RNA) where: Base-Base interactions energy: -1221.228 where: short stacking energy: -533.759 Base-Backbone interact. energy: -1.565 local terms energy: -539.338343 where: bonds (distance) C4'-P energy: -91.543 bonds (distance) P-C4' energy: -105.626 flat angles C4'-P-C4' energy: -132.953 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -136.372 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: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1651.255286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.255286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.255286 (E_RNA) where: Base-Base interactions energy: -1143.256 where: short stacking energy: -508.996 Base-Backbone interact. energy: -0.750 local terms energy: -507.249208 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -103.086 flat angles C4'-P-C4' energy: -112.023 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -132.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1251.880634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.880634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.880634 (E_RNA) where: Base-Base interactions energy: -772.600 where: short stacking energy: -377.618 Base-Backbone interact. energy: -3.171 local terms energy: -476.109395 where: bonds (distance) C4'-P energy: -90.636 bonds (distance) P-C4' energy: -116.248 flat angles C4'-P-C4' energy: -124.634 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -73.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -907.068127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.068127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.068127 (E_RNA) where: Base-Base interactions energy: -525.421 where: short stacking energy: -260.137 Base-Backbone interact. energy: 1.530 local terms energy: -383.176629 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -105.566 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -56.616 tors. eta vs tors. theta energy: -13.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -806.038536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.038536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.038536 (E_RNA) where: Base-Base interactions energy: -429.577 where: short stacking energy: -237.063 Base-Backbone interact. energy: 2.341 local terms energy: -378.801882 where: bonds (distance) C4'-P energy: -83.363 bonds (distance) P-C4' energy: -105.719 flat angles C4'-P-C4' energy: -111.247 flat angles P-C4'-P energy: -63.672 tors. eta vs tors. theta energy: -14.801 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: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -602.473355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.473355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.473355 (E_RNA) where: Base-Base interactions energy: -264.065 where: short stacking energy: -172.288 Base-Backbone interact. energy: 2.055 local terms energy: -340.464282 where: bonds (distance) C4'-P energy: -105.813 bonds (distance) P-C4' energy: -96.347 flat angles C4'-P-C4' energy: -91.715 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: 14.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2242.585223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.585223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.585223 (E_RNA) where: Base-Base interactions energy: -1564.934 where: short stacking energy: -683.239 Base-Backbone interact. energy: -4.776 local terms energy: -672.874976 where: bonds (distance) C4'-P energy: -123.554 bonds (distance) P-C4' energy: -115.013 flat angles C4'-P-C4' energy: -151.661 flat angles P-C4'-P energy: -87.770 tors. eta vs tors. theta energy: -194.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2089.785802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.785802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.785802 (E_RNA) where: Base-Base interactions energy: -1441.113 where: short stacking energy: -637.569 Base-Backbone interact. energy: -3.464 local terms energy: -645.207990 where: bonds (distance) C4'-P energy: -110.939 bonds (distance) P-C4' energy: -117.096 flat angles C4'-P-C4' energy: -133.488 flat angles P-C4'-P energy: -88.318 tors. eta vs tors. theta energy: -195.366 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: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2093.185026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.185026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.185026 (E_RNA) where: Base-Base interactions energy: -1465.495 where: short stacking energy: -642.861 Base-Backbone interact. energy: 6.154 local terms energy: -633.844103 where: bonds (distance) C4'-P energy: -122.433 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -132.268 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -182.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1915.289622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.289622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.289622 (E_RNA) where: Base-Base interactions energy: -1295.864 where: short stacking energy: -540.188 Base-Backbone interact. energy: -3.691 local terms energy: -615.733842 where: bonds (distance) C4'-P energy: -112.804 bonds (distance) P-C4' energy: -128.246 flat angles C4'-P-C4' energy: -122.194 flat angles P-C4'-P energy: -84.697 tors. eta vs tors. theta energy: -167.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1739.635246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.635246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.635246 (E_RNA) where: Base-Base interactions energy: -1153.394 where: short stacking energy: -481.014 Base-Backbone interact. energy: -1.079 local terms energy: -585.161921 where: bonds (distance) C4'-P energy: -117.380 bonds (distance) P-C4' energy: -117.638 flat angles C4'-P-C4' energy: -131.393 flat angles P-C4'-P energy: -88.548 tors. eta vs tors. theta energy: -130.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1583.683477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.683477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.683477 (E_RNA) where: Base-Base interactions energy: -1051.274 where: short stacking energy: -450.433 Base-Backbone interact. energy: -2.303 local terms energy: -530.107260 where: bonds (distance) C4'-P energy: -97.573 bonds (distance) P-C4' energy: -124.126 flat angles C4'-P-C4' energy: -121.057 flat angles P-C4'-P energy: -70.951 tors. eta vs tors. theta energy: -116.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1191.350173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.350173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.350173 (E_RNA) where: Base-Base interactions energy: -706.149 where: short stacking energy: -347.032 Base-Backbone interact. energy: 1.334 local terms energy: -486.535731 where: bonds (distance) C4'-P energy: -109.392 bonds (distance) P-C4' energy: -121.152 flat angles C4'-P-C4' energy: -117.808 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: -62.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -891.689353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.689353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.689353 (E_RNA) where: Base-Base interactions energy: -508.813 where: short stacking energy: -263.206 Base-Backbone interact. energy: -2.497 local terms energy: -380.379523 where: bonds (distance) C4'-P energy: -107.361 bonds (distance) P-C4' energy: -98.433 flat angles C4'-P-C4' energy: -97.645 flat angles P-C4'-P energy: -52.177 tors. eta vs tors. theta energy: -24.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -761.189882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.189882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.189882 (E_RNA) where: Base-Base interactions energy: -400.780 where: short stacking energy: -204.892 Base-Backbone interact. energy: -0.088 local terms energy: -360.321599 where: bonds (distance) C4'-P energy: -103.074 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -75.856 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -607.585112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.585112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.585112 (E_RNA) where: Base-Base interactions energy: -270.235 where: short stacking energy: -172.873 Base-Backbone interact. energy: -3.699 local terms energy: -333.651049 where: bonds (distance) C4'-P energy: -101.212 bonds (distance) P-C4' energy: -114.383 flat angles C4'-P-C4' energy: -101.933 flat angles P-C4'-P energy: -33.709 tors. eta vs tors. theta energy: 17.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2265.938709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.938709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.938709 (E_RNA) where: Base-Base interactions energy: -1564.613 where: short stacking energy: -666.435 Base-Backbone interact. energy: -1.587 local terms energy: -699.739203 where: bonds (distance) C4'-P energy: -131.997 bonds (distance) P-C4' energy: -122.612 flat angles C4'-P-C4' energy: -144.056 flat angles P-C4'-P energy: -101.482 tors. eta vs tors. theta energy: -199.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2114.049678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.049678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.049678 (E_RNA) where: Base-Base interactions energy: -1446.966 where: short stacking energy: -636.280 Base-Backbone interact. energy: -4.044 local terms energy: -663.039307 where: bonds (distance) C4'-P energy: -127.944 bonds (distance) P-C4' energy: -117.257 flat angles C4'-P-C4' energy: -137.094 flat angles P-C4'-P energy: -87.441 tors. eta vs tors. theta energy: -193.303 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: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2078.664024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.664024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.664024 (E_RNA) where: Base-Base interactions energy: -1428.957 where: short stacking energy: -615.006 Base-Backbone interact. energy: -3.420 local terms energy: -646.286459 where: bonds (distance) C4'-P energy: -117.922 bonds (distance) P-C4' energy: -125.091 flat angles C4'-P-C4' energy: -139.477 flat angles P-C4'-P energy: -77.903 tors. eta vs tors. theta energy: -185.894 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: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1923.296430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.296430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.296430 (E_RNA) where: Base-Base interactions energy: -1310.742 where: short stacking energy: -588.985 Base-Backbone interact. energy: 2.352 local terms energy: -614.906638 where: bonds (distance) C4'-P energy: -95.011 bonds (distance) P-C4' energy: -141.720 flat angles C4'-P-C4' energy: -131.816 flat angles P-C4'-P energy: -78.078 tors. eta vs tors. theta energy: -168.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1787.793023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.793023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.793023 (E_RNA) where: Base-Base interactions energy: -1232.157 where: short stacking energy: -535.680 Base-Backbone interact. energy: 0.442 local terms energy: -556.077697 where: bonds (distance) C4'-P energy: -98.421 bonds (distance) P-C4' energy: -111.126 flat angles C4'-P-C4' energy: -121.854 flat angles P-C4'-P energy: -85.967 tors. eta vs tors. theta energy: -138.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1564.862794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.862794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.862794 (E_RNA) where: Base-Base interactions energy: -1030.607 where: short stacking energy: -441.644 Base-Backbone interact. energy: -3.096 local terms energy: -531.159868 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -115.131 flat angles C4'-P-C4' energy: -115.566 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -116.395 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: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1185.742656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.742656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.742656 (E_RNA) where: Base-Base interactions energy: -721.096 where: short stacking energy: -362.218 Base-Backbone interact. energy: -0.231 local terms energy: -464.414845 where: bonds (distance) C4'-P energy: -108.953 bonds (distance) P-C4' energy: -103.431 flat angles C4'-P-C4' energy: -115.081 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: -69.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -890.455979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.455979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.455979 (E_RNA) where: Base-Base interactions energy: -484.940 where: short stacking energy: -253.834 Base-Backbone interact. energy: -1.674 local terms energy: -403.842243 where: bonds (distance) C4'-P energy: -96.257 bonds (distance) P-C4' energy: -106.630 flat angles C4'-P-C4' energy: -109.300 flat angles P-C4'-P energy: -71.268 tors. eta vs tors. theta energy: -20.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -695.725636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.725636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.725636 (E_RNA) where: Base-Base interactions energy: -330.307 where: short stacking energy: -156.024 Base-Backbone interact. energy: 6.421 local terms energy: -371.840276 where: bonds (distance) C4'-P energy: -97.407 bonds (distance) P-C4' energy: -125.020 flat angles C4'-P-C4' energy: -99.871 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: 2.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -625.052809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.052809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.052809 (E_RNA) where: Base-Base interactions energy: -259.011 where: short stacking energy: -178.747 Base-Backbone interact. energy: 1.016 local terms energy: -367.057589 where: bonds (distance) C4'-P energy: -124.198 bonds (distance) P-C4' energy: -97.358 flat angles C4'-P-C4' energy: -93.967 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: 6.315 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: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2275.015132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.015132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.015132 (E_RNA) where: Base-Base interactions energy: -1564.791 where: short stacking energy: -678.142 Base-Backbone interact. energy: -3.594 local terms energy: -706.629855 where: bonds (distance) C4'-P energy: -113.608 bonds (distance) P-C4' energy: -135.047 flat angles C4'-P-C4' energy: -149.950 flat angles P-C4'-P energy: -100.130 tors. eta vs tors. theta energy: -207.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2120.265011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.265011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.265011 (E_RNA) where: Base-Base interactions energy: -1465.227 where: short stacking energy: -634.103 Base-Backbone interact. energy: -2.246 local terms energy: -652.791938 where: bonds (distance) C4'-P energy: -104.055 bonds (distance) P-C4' energy: -127.065 flat angles C4'-P-C4' energy: -135.902 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -187.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2064.888435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.888435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.888435 (E_RNA) where: Base-Base interactions energy: -1408.059 where: short stacking energy: -607.480 Base-Backbone interact. energy: -6.849 local terms energy: -649.980255 where: bonds (distance) C4'-P energy: -113.783 bonds (distance) P-C4' energy: -123.888 flat angles C4'-P-C4' energy: -132.905 flat angles P-C4'-P energy: -94.657 tors. eta vs tors. theta energy: -184.748 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: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1897.225672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.225672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.225672 (E_RNA) where: Base-Base interactions energy: -1309.068 where: short stacking energy: -558.107 Base-Backbone interact. energy: 2.198 local terms energy: -590.355003 where: bonds (distance) C4'-P energy: -109.827 bonds (distance) P-C4' energy: -114.952 flat angles C4'-P-C4' energy: -129.129 flat angles P-C4'-P energy: -77.517 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: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1789.982759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.982759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.982759 (E_RNA) where: Base-Base interactions energy: -1192.553 where: short stacking energy: -521.721 Base-Backbone interact. energy: -2.506 local terms energy: -594.923811 where: bonds (distance) C4'-P energy: -117.587 bonds (distance) P-C4' energy: -115.158 flat angles C4'-P-C4' energy: -119.534 flat angles P-C4'-P energy: -85.202 tors. eta vs tors. theta energy: -157.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1599.667838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.667838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.667838 (E_RNA) where: Base-Base interactions energy: -1046.696 where: short stacking energy: -458.932 Base-Backbone interact. energy: -3.009 local terms energy: -549.962636 where: bonds (distance) C4'-P energy: -111.820 bonds (distance) P-C4' energy: -122.792 flat angles C4'-P-C4' energy: -119.903 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -107.032 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: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1166.429785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.429785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.429785 (E_RNA) where: Base-Base interactions energy: -686.689 where: short stacking energy: -349.842 Base-Backbone interact. energy: 7.543 local terms energy: -487.283838 where: bonds (distance) C4'-P energy: -132.201 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -52.360 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: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -887.252582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.252582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.252582 (E_RNA) where: Base-Base interactions energy: -502.910 where: short stacking energy: -233.901 Base-Backbone interact. energy: -1.955 local terms energy: -382.387495 where: bonds (distance) C4'-P energy: -103.851 bonds (distance) P-C4' energy: -120.045 flat angles C4'-P-C4' energy: -78.388 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -12.404 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: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -719.068936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.068936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.068936 (E_RNA) where: Base-Base interactions energy: -339.239 where: short stacking energy: -195.116 Base-Backbone interact. energy: -2.401 local terms energy: -377.429530 where: bonds (distance) C4'-P energy: -118.233 bonds (distance) P-C4' energy: -117.920 flat angles C4'-P-C4' energy: -89.931 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: 2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -634.075700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.075700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.075700 (E_RNA) where: Base-Base interactions energy: -261.446 where: short stacking energy: -160.776 Base-Backbone interact. energy: 5.496 local terms energy: -378.125411 where: bonds (distance) C4'-P energy: -125.155 bonds (distance) P-C4' energy: -117.339 flat angles C4'-P-C4' energy: -81.325 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: -13.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2245.229174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.229174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.229174 (E_RNA) where: Base-Base interactions energy: -1541.860 where: short stacking energy: -679.417 Base-Backbone interact. energy: -0.622 local terms energy: -702.747758 where: bonds (distance) C4'-P energy: -140.789 bonds (distance) P-C4' energy: -123.151 flat angles C4'-P-C4' energy: -144.658 flat angles P-C4'-P energy: -88.145 tors. eta vs tors. theta energy: -206.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2135.265640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.265640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.265640 (E_RNA) where: Base-Base interactions energy: -1443.771 where: short stacking energy: -615.300 Base-Backbone interact. energy: -1.958 local terms energy: -689.535874 where: bonds (distance) C4'-P energy: -116.596 bonds (distance) P-C4' energy: -124.440 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -106.676 tors. eta vs tors. theta energy: -194.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2031.257789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.257789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.257789 (E_RNA) where: Base-Base interactions energy: -1382.594 where: short stacking energy: -618.724 Base-Backbone interact. energy: -1.539 local terms energy: -647.125182 where: bonds (distance) C4'-P energy: -127.251 bonds (distance) P-C4' energy: -116.950 flat angles C4'-P-C4' energy: -131.001 flat angles P-C4'-P energy: -82.350 tors. eta vs tors. theta energy: -189.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1949.501599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.501599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.501599 (E_RNA) where: Base-Base interactions energy: -1336.335 where: short stacking energy: -560.683 Base-Backbone interact. energy: -3.414 local terms energy: -609.752335 where: bonds (distance) C4'-P energy: -116.594 bonds (distance) P-C4' energy: -124.641 flat angles C4'-P-C4' energy: -122.983 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -165.576 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: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1778.200210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.200210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.200210 (E_RNA) where: Base-Base interactions energy: -1189.052 where: short stacking energy: -526.018 Base-Backbone interact. energy: -1.987 local terms energy: -587.162085 where: bonds (distance) C4'-P energy: -107.151 bonds (distance) P-C4' energy: -111.721 flat angles C4'-P-C4' energy: -137.633 flat angles P-C4'-P energy: -81.194 tors. eta vs tors. theta energy: -149.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1529.870861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.870861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.870861 (E_RNA) where: Base-Base interactions energy: -991.339 where: short stacking energy: -421.219 Base-Backbone interact. energy: -3.706 local terms energy: -534.825709 where: bonds (distance) C4'-P energy: -104.575 bonds (distance) P-C4' energy: -112.943 flat angles C4'-P-C4' energy: -120.772 flat angles P-C4'-P energy: -86.946 tors. eta vs tors. theta energy: -109.590 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: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1181.890164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.890164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.890164 (E_RNA) where: Base-Base interactions energy: -720.780 where: short stacking energy: -366.810 Base-Backbone interact. energy: 7.269 local terms energy: -468.379567 where: bonds (distance) C4'-P energy: -107.015 bonds (distance) P-C4' energy: -121.451 flat angles C4'-P-C4' energy: -97.631 flat angles P-C4'-P energy: -65.291 tors. eta vs tors. theta energy: -76.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -947.661138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.661138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.661138 (E_RNA) where: Base-Base interactions energy: -551.260 where: short stacking energy: -252.978 Base-Backbone interact. energy: -3.651 local terms energy: -392.749981 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -116.287 flat angles C4'-P-C4' energy: -98.035 flat angles P-C4'-P energy: -57.213 tors. eta vs tors. theta energy: -9.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -734.414775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.414775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.414775 (E_RNA) where: Base-Base interactions energy: -411.836 where: short stacking energy: -252.700 Base-Backbone interact. energy: -0.881 local terms energy: -321.697404 where: bonds (distance) C4'-P energy: -90.685 bonds (distance) P-C4' energy: -83.643 flat angles C4'-P-C4' energy: -87.035 flat angles P-C4'-P energy: -56.347 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -640.031011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.031011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.031011 (E_RNA) where: Base-Base interactions energy: -277.832 where: short stacking energy: -194.003 Base-Backbone interact. energy: -2.107 local terms energy: -360.091827 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -96.081 flat angles C4'-P-C4' energy: -99.135 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2239.935634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.935634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.935634 (E_RNA) where: Base-Base interactions energy: -1547.340 where: short stacking energy: -679.904 Base-Backbone interact. energy: -2.521 local terms energy: -690.075359 where: bonds (distance) C4'-P energy: -115.962 bonds (distance) P-C4' energy: -122.070 flat angles C4'-P-C4' energy: -144.498 flat angles P-C4'-P energy: -106.188 tors. eta vs tors. theta energy: -201.357 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: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2154.996790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.996790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.996790 (E_RNA) where: Base-Base interactions energy: -1507.048 where: short stacking energy: -647.241 Base-Backbone interact. energy: -1.171 local terms energy: -646.777240 where: bonds (distance) C4'-P energy: -117.196 bonds (distance) P-C4' energy: -118.487 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -87.475 tors. eta vs tors. theta energy: -193.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2015.381457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.381457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.381457 (E_RNA) where: Base-Base interactions energy: -1374.733 where: short stacking energy: -593.994 Base-Backbone interact. energy: 2.494 local terms energy: -643.142173 where: bonds (distance) C4'-P energy: -113.395 bonds (distance) P-C4' energy: -123.027 flat angles C4'-P-C4' energy: -143.024 flat angles P-C4'-P energy: -87.031 tors. eta vs tors. theta energy: -176.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1957.793804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.793804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.793804 (E_RNA) where: Base-Base interactions energy: -1350.125 where: short stacking energy: -583.497 Base-Backbone interact. energy: -1.600 local terms energy: -606.069287 where: bonds (distance) C4'-P energy: -115.476 bonds (distance) P-C4' energy: -112.197 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -82.015 tors. eta vs tors. theta energy: -160.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1743.235868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.235868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.235868 (E_RNA) where: Base-Base interactions energy: -1184.255 where: short stacking energy: -503.486 Base-Backbone interact. energy: -3.086 local terms energy: -555.895051 where: bonds (distance) C4'-P energy: -91.482 bonds (distance) P-C4' energy: -120.095 flat angles C4'-P-C4' energy: -130.751 flat angles P-C4'-P energy: -80.647 tors. eta vs tors. theta energy: -132.920 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: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1573.347346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.347346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.347346 (E_RNA) where: Base-Base interactions energy: -1036.893 where: short stacking energy: -441.619 Base-Backbone interact. energy: -1.879 local terms energy: -534.575301 where: bonds (distance) C4'-P energy: -108.657 bonds (distance) P-C4' energy: -115.733 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -83.626 tors. eta vs tors. theta energy: -116.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1158.367681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.367681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.367681 (E_RNA) where: Base-Base interactions energy: -701.947 where: short stacking energy: -364.137 Base-Backbone interact. energy: -2.412 local terms energy: -454.008640 where: bonds (distance) C4'-P energy: -92.072 bonds (distance) P-C4' energy: -114.295 flat angles C4'-P-C4' energy: -96.976 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -79.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -934.757126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.757126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.757126 (E_RNA) where: Base-Base interactions energy: -508.811 where: short stacking energy: -279.434 Base-Backbone interact. energy: 2.227 local terms energy: -428.172879 where: bonds (distance) C4'-P energy: -102.657 bonds (distance) P-C4' energy: -99.665 flat angles C4'-P-C4' energy: -114.959 flat angles P-C4'-P energy: -71.292 tors. eta vs tors. theta energy: -39.600 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: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -758.140371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.140371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.140371 (E_RNA) where: Base-Base interactions energy: -405.649 where: short stacking energy: -212.909 Base-Backbone interact. energy: -1.915 local terms energy: -350.576302 where: bonds (distance) C4'-P energy: -89.730 bonds (distance) P-C4' energy: -99.724 flat angles C4'-P-C4' energy: -107.012 flat angles P-C4'-P energy: -56.359 tors. eta vs tors. theta energy: 2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -620.224161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.224161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.224161 (E_RNA) where: Base-Base interactions energy: -266.977 where: short stacking energy: -168.945 Base-Backbone interact. energy: 5.283 local terms energy: -358.530141 where: bonds (distance) C4'-P energy: -100.326 bonds (distance) P-C4' energy: -115.110 flat angles C4'-P-C4' energy: -86.366 flat angles P-C4'-P energy: -56.329 tors. eta vs tors. theta energy: -0.399 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: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2250.145064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.145064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.145064 (E_RNA) where: Base-Base interactions energy: -1544.138 where: short stacking energy: -681.337 Base-Backbone interact. energy: -0.997 local terms energy: -705.009836 where: bonds (distance) C4'-P energy: -130.232 bonds (distance) P-C4' energy: -117.770 flat angles C4'-P-C4' energy: -151.568 flat angles P-C4'-P energy: -100.414 tors. eta vs tors. theta energy: -205.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2151.849007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.849007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.849007 (E_RNA) where: Base-Base interactions energy: -1493.986 where: short stacking energy: -633.402 Base-Backbone interact. energy: 0.933 local terms energy: -658.795578 where: bonds (distance) C4'-P energy: -104.121 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -86.739 tors. eta vs tors. theta energy: -202.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2048.308712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.308712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.308712 (E_RNA) where: Base-Base interactions energy: -1389.086 where: short stacking energy: -588.725 Base-Backbone interact. energy: -1.760 local terms energy: -657.463231 where: bonds (distance) C4'-P energy: -116.483 bonds (distance) P-C4' energy: -132.979 flat angles C4'-P-C4' energy: -133.604 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -179.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1903.811950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.811950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.811950 (E_RNA) where: Base-Base interactions energy: -1293.633 where: short stacking energy: -556.504 Base-Backbone interact. energy: -3.314 local terms energy: -606.864422 where: bonds (distance) C4'-P energy: -127.934 bonds (distance) P-C4' energy: -103.308 flat angles C4'-P-C4' energy: -134.370 flat angles P-C4'-P energy: -86.071 tors. eta vs tors. theta energy: -155.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1810.443371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.443371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.443371 (E_RNA) where: Base-Base interactions energy: -1208.433 where: short stacking energy: -525.273 Base-Backbone interact. energy: -1.283 local terms energy: -600.728121 where: bonds (distance) C4'-P energy: -119.450 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: -141.195 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: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1507.151538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.151538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.151538 (E_RNA) where: Base-Base interactions energy: -990.226 where: short stacking energy: -428.729 Base-Backbone interact. energy: -0.787 local terms energy: -516.138881 where: bonds (distance) C4'-P energy: -102.147 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -134.289 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -106.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1161.288357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.288357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.288357 (E_RNA) where: Base-Base interactions energy: -715.277 where: short stacking energy: -338.755 Base-Backbone interact. energy: -1.763 local terms energy: -444.248800 where: bonds (distance) C4'-P energy: -89.340 bonds (distance) P-C4' energy: -105.072 flat angles C4'-P-C4' energy: -107.362 flat angles P-C4'-P energy: -78.303 tors. eta vs tors. theta energy: -64.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -827.418218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.418218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.418218 (E_RNA) where: Base-Base interactions energy: -425.216 where: short stacking energy: -238.416 Base-Backbone interact. energy: 3.297 local terms energy: -405.499287 where: bonds (distance) C4'-P energy: -97.262 bonds (distance) P-C4' energy: -116.901 flat angles C4'-P-C4' energy: -121.909 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -8.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -846.984559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.984559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.984559 (E_RNA) where: Base-Base interactions energy: -495.898 where: short stacking energy: -257.007 Base-Backbone interact. energy: -2.553 local terms energy: -348.533864 where: bonds (distance) C4'-P energy: -86.571 bonds (distance) P-C4' energy: -87.781 flat angles C4'-P-C4' energy: -94.761 flat angles P-C4'-P energy: -60.949 tors. eta vs tors. theta energy: -18.472 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: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -584.942327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.942327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.942327 (E_RNA) where: Base-Base interactions energy: -255.807 where: short stacking energy: -137.821 Base-Backbone interact. energy: 0.480 local terms energy: -329.615413 where: bonds (distance) C4'-P energy: -95.860 bonds (distance) P-C4' energy: -101.719 flat angles C4'-P-C4' energy: -87.660 flat angles P-C4'-P energy: -67.937 tors. eta vs tors. theta energy: 23.561 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: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2280.353676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.353676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.353676 (E_RNA) where: Base-Base interactions energy: -1565.716 where: short stacking energy: -686.375 Base-Backbone interact. energy: -3.564 local terms energy: -711.072893 where: bonds (distance) C4'-P energy: -127.440 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -155.096 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -196.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2170.374798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.374798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.374798 (E_RNA) where: Base-Base interactions energy: -1505.356 where: short stacking energy: -638.293 Base-Backbone interact. energy: -5.293 local terms energy: -659.725690 where: bonds (distance) C4'-P energy: -124.103 bonds (distance) P-C4' energy: -118.866 flat angles C4'-P-C4' energy: -134.656 flat angles P-C4'-P energy: -80.970 tors. eta vs tors. theta energy: -201.130 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: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2039.422672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.422672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.422672 (E_RNA) where: Base-Base interactions energy: -1410.337 where: short stacking energy: -622.698 Base-Backbone interact. energy: 0.170 local terms energy: -629.256202 where: bonds (distance) C4'-P energy: -103.120 bonds (distance) P-C4' energy: -118.559 flat angles C4'-P-C4' energy: -135.754 flat angles P-C4'-P energy: -96.205 tors. eta vs tors. theta energy: -175.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1914.408400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.408400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.408400 (E_RNA) where: Base-Base interactions energy: -1320.189 where: short stacking energy: -571.367 Base-Backbone interact. energy: -4.615 local terms energy: -589.604277 where: bonds (distance) C4'-P energy: -107.492 bonds (distance) P-C4' energy: -112.332 flat angles C4'-P-C4' energy: -128.411 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -167.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1763.730825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.730825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.730825 (E_RNA) where: Base-Base interactions energy: -1193.326 where: short stacking energy: -517.449 Base-Backbone interact. energy: -3.118 local terms energy: -567.286982 where: bonds (distance) C4'-P energy: -111.297 bonds (distance) P-C4' energy: -101.256 flat angles C4'-P-C4' energy: -120.115 flat angles P-C4'-P energy: -95.935 tors. eta vs tors. theta energy: -138.684 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: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1524.004043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.004043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.004043 (E_RNA) where: Base-Base interactions energy: -988.591 where: short stacking energy: -406.590 Base-Backbone interact. energy: 0.570 local terms energy: -535.982888 where: bonds (distance) C4'-P energy: -114.190 bonds (distance) P-C4' energy: -128.178 flat angles C4'-P-C4' energy: -111.630 flat angles P-C4'-P energy: -79.051 tors. eta vs tors. theta energy: -102.934 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: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1143.663367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.663367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.663367 (E_RNA) where: Base-Base interactions energy: -691.582 where: short stacking energy: -358.322 Base-Backbone interact. energy: -2.884 local terms energy: -449.197310 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -99.947 flat angles C4'-P-C4' energy: -107.926 flat angles P-C4'-P energy: -72.944 tors. eta vs tors. theta energy: -63.611 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: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -812.574744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.574744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.574744 (E_RNA) where: Base-Base interactions energy: -433.353 where: short stacking energy: -227.036 Base-Backbone interact. energy: -1.317 local terms energy: -377.904325 where: bonds (distance) C4'-P energy: -101.094 bonds (distance) P-C4' energy: -106.455 flat angles C4'-P-C4' energy: -102.392 flat angles P-C4'-P energy: -60.505 tors. eta vs tors. theta energy: -7.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -841.960865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.960865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.960865 (E_RNA) where: Base-Base interactions energy: -472.448 where: short stacking energy: -216.551 Base-Backbone interact. energy: -2.445 local terms energy: -367.067641 where: bonds (distance) C4'-P energy: -80.614 bonds (distance) P-C4' energy: -113.797 flat angles C4'-P-C4' energy: -96.088 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -22.950 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: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -635.089165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.089165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.089165 (E_RNA) where: Base-Base interactions energy: -298.025 where: short stacking energy: -177.547 Base-Backbone interact. energy: 0.889 local terms energy: -337.953177 where: bonds (distance) C4'-P energy: -104.880 bonds (distance) P-C4' energy: -113.468 flat angles C4'-P-C4' energy: -80.715 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: 11.474 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: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2242.289761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.289761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.289761 (E_RNA) where: Base-Base interactions energy: -1526.873 where: short stacking energy: -662.195 Base-Backbone interact. energy: -2.114 local terms energy: -713.302777 where: bonds (distance) C4'-P energy: -119.646 bonds (distance) P-C4' energy: -139.385 flat angles C4'-P-C4' energy: -146.662 flat angles P-C4'-P energy: -97.208 tors. eta vs tors. theta energy: -210.402 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: 435 Temperature: 0.950000 Total energy: -2176.122099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.122099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.122099 (E_RNA) where: Base-Base interactions energy: -1517.376 where: short stacking energy: -636.043 Base-Backbone interact. energy: -2.840 local terms energy: -655.906126 where: bonds (distance) C4'-P energy: -101.607 bonds (distance) P-C4' energy: -113.774 flat angles C4'-P-C4' energy: -147.436 flat angles P-C4'-P energy: -92.638 tors. eta vs tors. theta energy: -200.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2014.524512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.524512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.524512 (E_RNA) where: Base-Base interactions energy: -1349.324 where: short stacking energy: -563.632 Base-Backbone interact. energy: -3.630 local terms energy: -661.570688 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -128.237 flat angles C4'-P-C4' energy: -142.194 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -179.050 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: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1908.807601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.807601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.807601 (E_RNA) where: Base-Base interactions energy: -1302.055 where: short stacking energy: -564.362 Base-Backbone interact. energy: -2.134 local terms energy: -604.618216 where: bonds (distance) C4'-P energy: -105.245 bonds (distance) P-C4' energy: -114.234 flat angles C4'-P-C4' energy: -127.684 flat angles P-C4'-P energy: -101.683 tors. eta vs tors. theta energy: -155.772 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: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1753.572773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.572773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.572773 (E_RNA) where: Base-Base interactions energy: -1202.174 where: short stacking energy: -528.343 Base-Backbone interact. energy: 0.055 local terms energy: -551.453757 where: bonds (distance) C4'-P energy: -109.060 bonds (distance) P-C4' energy: -108.983 flat angles C4'-P-C4' energy: -111.678 flat angles P-C4'-P energy: -83.726 tors. eta vs tors. theta energy: -138.007 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: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1549.374925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.374925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.374925 (E_RNA) where: Base-Base interactions energy: -1028.807 where: short stacking energy: -474.845 Base-Backbone interact. energy: -1.894 local terms energy: -518.673994 where: bonds (distance) C4'-P energy: -91.743 bonds (distance) P-C4' energy: -98.144 flat angles C4'-P-C4' energy: -131.189 flat angles P-C4'-P energy: -78.500 tors. eta vs tors. theta energy: -119.099 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: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1198.115521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.115521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.115521 (E_RNA) where: Base-Base interactions energy: -741.917 where: short stacking energy: -355.425 Base-Backbone interact. energy: -1.788 local terms energy: -454.411078 where: bonds (distance) C4'-P energy: -114.481 bonds (distance) P-C4' energy: -107.902 flat angles C4'-P-C4' energy: -109.281 flat angles P-C4'-P energy: -65.423 tors. eta vs tors. theta energy: -57.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -998.205197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.205197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.205197 (E_RNA) where: Base-Base interactions energy: -586.081 where: short stacking energy: -290.589 Base-Backbone interact. energy: -2.224 local terms energy: -409.900026 where: bonds (distance) C4'-P energy: -96.836 bonds (distance) P-C4' energy: -117.860 flat angles C4'-P-C4' energy: -108.764 flat angles P-C4'-P energy: -54.099 tors. eta vs tors. theta energy: -32.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -792.109317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.109317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.109317 (E_RNA) where: Base-Base interactions energy: -410.116 where: short stacking energy: -222.426 Base-Backbone interact. energy: 0.527 local terms energy: -382.521084 where: bonds (distance) C4'-P energy: -109.360 bonds (distance) P-C4' energy: -110.121 flat angles C4'-P-C4' energy: -82.718 flat angles P-C4'-P energy: -62.196 tors. eta vs tors. theta energy: -18.126 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: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -676.361312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.361312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.361312 (E_RNA) where: Base-Base interactions energy: -336.092 where: short stacking energy: -206.454 Base-Backbone interact. energy: 1.954 local terms energy: -342.223092 where: bonds (distance) C4'-P energy: -80.273 bonds (distance) P-C4' energy: -127.915 flat angles C4'-P-C4' energy: -83.255 flat angles P-C4'-P energy: -48.542 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2265.914778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.914778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.914778 (E_RNA) where: Base-Base interactions energy: -1544.504 where: short stacking energy: -672.462 Base-Backbone interact. energy: -3.868 local terms energy: -717.543675 where: bonds (distance) C4'-P energy: -119.485 bonds (distance) P-C4' energy: -130.887 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -105.904 tors. eta vs tors. theta energy: -207.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2171.253392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.253392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.253392 (E_RNA) where: Base-Base interactions energy: -1476.873 where: short stacking energy: -643.017 Base-Backbone interact. energy: -0.286 local terms energy: -694.094632 where: bonds (distance) C4'-P energy: -130.581 bonds (distance) P-C4' energy: -122.401 flat angles C4'-P-C4' energy: -148.959 flat angles P-C4'-P energy: -98.569 tors. eta vs tors. theta energy: -193.584 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: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2059.033222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.033222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.033222 (E_RNA) where: Base-Base interactions energy: -1421.716 where: short stacking energy: -596.219 Base-Backbone interact. energy: -1.076 local terms energy: -636.241374 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -117.486 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -94.854 tors. eta vs tors. theta energy: -164.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1911.166126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.166126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.166126 (E_RNA) where: Base-Base interactions energy: -1309.087 where: short stacking energy: -543.911 Base-Backbone interact. energy: -5.332 local terms energy: -596.747337 where: bonds (distance) C4'-P energy: -103.729 bonds (distance) P-C4' energy: -111.218 flat angles C4'-P-C4' energy: -134.421 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -157.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1746.149083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.149083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.149083 (E_RNA) where: Base-Base interactions energy: -1157.730 where: short stacking energy: -511.307 Base-Backbone interact. energy: -2.733 local terms energy: -585.686390 where: bonds (distance) C4'-P energy: -98.111 bonds (distance) P-C4' energy: -122.309 flat angles C4'-P-C4' energy: -130.977 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -145.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1512.792705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.792705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.792705 (E_RNA) where: Base-Base interactions energy: -1001.387 where: short stacking energy: -457.382 Base-Backbone interact. energy: -3.097 local terms energy: -508.308557 where: bonds (distance) C4'-P energy: -92.268 bonds (distance) P-C4' energy: -93.018 flat angles C4'-P-C4' energy: -120.558 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -117.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1232.581463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.581463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.581463 (E_RNA) where: Base-Base interactions energy: -774.291 where: short stacking energy: -384.591 Base-Backbone interact. energy: 3.222 local terms energy: -461.512592 where: bonds (distance) C4'-P energy: -84.080 bonds (distance) P-C4' energy: -120.437 flat angles C4'-P-C4' energy: -107.282 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: -94.404 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: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1037.347849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.347849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.347849 (E_RNA) where: Base-Base interactions energy: -623.865 where: short stacking energy: -319.320 Base-Backbone interact. energy: 2.711 local terms energy: -416.193741 where: bonds (distance) C4'-P energy: -77.018 bonds (distance) P-C4' energy: -113.073 flat angles C4'-P-C4' energy: -113.048 flat angles P-C4'-P energy: -55.558 tors. eta vs tors. theta energy: -57.496 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: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -769.719204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.719204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.719204 (E_RNA) where: Base-Base interactions energy: -408.929 where: short stacking energy: -212.203 Base-Backbone interact. energy: -1.724 local terms energy: -359.066646 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -99.706 flat angles P-C4'-P energy: -57.358 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -690.078906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.078906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.078906 (E_RNA) where: Base-Base interactions energy: -338.055 where: short stacking energy: -182.946 Base-Backbone interact. energy: -0.659 local terms energy: -351.365067 where: bonds (distance) C4'-P energy: -115.374 bonds (distance) P-C4' energy: -107.428 flat angles C4'-P-C4' energy: -88.447 flat angles P-C4'-P energy: -29.147 tors. eta vs tors. theta energy: -10.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2251.403579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.403579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.403579 (E_RNA) where: Base-Base interactions energy: -1527.320 where: short stacking energy: -692.828 Base-Backbone interact. energy: -2.466 local terms energy: -721.617528 where: bonds (distance) C4'-P energy: -132.120 bonds (distance) P-C4' energy: -129.445 flat angles C4'-P-C4' energy: -152.512 flat angles P-C4'-P energy: -96.632 tors. eta vs tors. theta energy: -210.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2183.708139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.708139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.708139 (E_RNA) where: Base-Base interactions energy: -1501.713 where: short stacking energy: -642.650 Base-Backbone interact. energy: -3.065 local terms energy: -678.930129 where: bonds (distance) C4'-P energy: -126.972 bonds (distance) P-C4' energy: -118.546 flat angles C4'-P-C4' energy: -139.340 flat angles P-C4'-P energy: -96.727 tors. eta vs tors. theta energy: -197.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2000.171517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.171517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.171517 (E_RNA) where: Base-Base interactions energy: -1382.551 where: short stacking energy: -583.323 Base-Backbone interact. energy: -4.838 local terms energy: -612.782646 where: bonds (distance) C4'-P energy: -104.251 bonds (distance) P-C4' energy: -110.519 flat angles C4'-P-C4' energy: -135.140 flat angles P-C4'-P energy: -90.021 tors. eta vs tors. theta energy: -172.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1888.858379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.858379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.858379 (E_RNA) where: Base-Base interactions energy: -1260.631 where: short stacking energy: -546.899 Base-Backbone interact. energy: -1.201 local terms energy: -627.025570 where: bonds (distance) C4'-P energy: -130.392 bonds (distance) P-C4' energy: -120.798 flat angles C4'-P-C4' energy: -134.549 flat angles P-C4'-P energy: -89.543 tors. eta vs tors. theta energy: -151.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1733.466870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.466870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.466870 (E_RNA) where: Base-Base interactions energy: -1156.494 where: short stacking energy: -509.142 Base-Backbone interact. energy: -1.875 local terms energy: -575.098178 where: bonds (distance) C4'-P energy: -113.211 bonds (distance) P-C4' energy: -112.998 flat angles C4'-P-C4' energy: -131.759 flat angles P-C4'-P energy: -79.590 tors. eta vs tors. theta energy: -137.540 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: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1473.224710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.224710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.224710 (E_RNA) where: Base-Base interactions energy: -967.331 where: short stacking energy: -451.599 Base-Backbone interact. energy: 2.128 local terms energy: -508.022363 where: bonds (distance) C4'-P energy: -110.997 bonds (distance) P-C4' energy: -104.117 flat angles C4'-P-C4' energy: -115.677 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: -103.323 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1195.209741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.209741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.209741 (E_RNA) where: Base-Base interactions energy: -740.197 where: short stacking energy: -383.777 Base-Backbone interact. energy: 1.130 local terms energy: -456.142931 where: bonds (distance) C4'-P energy: -96.869 bonds (distance) P-C4' energy: -115.958 flat angles C4'-P-C4' energy: -118.422 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -63.754 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: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -943.585920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.585920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.585920 (E_RNA) where: Base-Base interactions energy: -550.648 where: short stacking energy: -278.279 Base-Backbone interact. energy: 0.558 local terms energy: -393.495919 where: bonds (distance) C4'-P energy: -96.425 bonds (distance) P-C4' energy: -111.466 flat angles C4'-P-C4' energy: -92.533 flat angles P-C4'-P energy: -68.221 tors. eta vs tors. theta energy: -24.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -755.767721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.767721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.767721 (E_RNA) where: Base-Base interactions energy: -393.469 where: short stacking energy: -202.979 Base-Backbone interact. energy: 3.932 local terms energy: -366.230883 where: bonds (distance) C4'-P energy: -101.544 bonds (distance) P-C4' energy: -106.071 flat angles C4'-P-C4' energy: -107.664 flat angles P-C4'-P energy: -41.481 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -695.071086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.071086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.071086 (E_RNA) where: Base-Base interactions energy: -324.423 where: short stacking energy: -154.215 Base-Backbone interact. energy: 2.484 local terms energy: -373.131813 where: bonds (distance) C4'-P energy: -108.929 bonds (distance) P-C4' energy: -91.576 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: 4.968 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: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2247.470584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.470584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.470584 (E_RNA) where: Base-Base interactions energy: -1540.579 where: short stacking energy: -667.290 Base-Backbone interact. energy: 4.206 local terms energy: -711.097786 where: bonds (distance) C4'-P energy: -138.092 bonds (distance) P-C4' energy: -122.392 flat angles C4'-P-C4' energy: -146.823 flat angles P-C4'-P energy: -93.979 tors. eta vs tors. theta energy: -209.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2179.496441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.496441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.496441 (E_RNA) where: Base-Base interactions energy: -1518.212 where: short stacking energy: -636.555 Base-Backbone interact. energy: 1.170 local terms energy: -662.454398 where: bonds (distance) C4'-P energy: -116.437 bonds (distance) P-C4' energy: -119.280 flat angles C4'-P-C4' energy: -148.237 flat angles P-C4'-P energy: -87.064 tors. eta vs tors. theta energy: -191.437 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: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2006.526124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.526124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.526124 (E_RNA) where: Base-Base interactions energy: -1369.948 where: short stacking energy: -590.152 Base-Backbone interact. energy: -2.309 local terms energy: -634.269611 where: bonds (distance) C4'-P energy: -120.708 bonds (distance) P-C4' energy: -120.413 flat angles C4'-P-C4' energy: -140.826 flat angles P-C4'-P energy: -89.348 tors. eta vs tors. theta energy: -162.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1916.591982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.591982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.591982 (E_RNA) where: Base-Base interactions energy: -1305.309 where: short stacking energy: -556.637 Base-Backbone interact. energy: -4.535 local terms energy: -606.747674 where: bonds (distance) C4'-P energy: -105.906 bonds (distance) P-C4' energy: -122.965 flat angles C4'-P-C4' energy: -134.487 flat angles P-C4'-P energy: -91.759 tors. eta vs tors. theta energy: -151.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1732.215754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.215754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.215754 (E_RNA) where: Base-Base interactions energy: -1140.016 where: short stacking energy: -469.968 Base-Backbone interact. energy: -1.586 local terms energy: -590.613745 where: bonds (distance) C4'-P energy: -124.704 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -117.061 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: -135.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1462.718980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.718980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.718980 (E_RNA) where: Base-Base interactions energy: -961.943 where: short stacking energy: -422.625 Base-Backbone interact. energy: -3.903 local terms energy: -496.872038 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -116.455 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -76.428 tors. eta vs tors. theta energy: -97.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1228.533230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.533230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.533230 (E_RNA) where: Base-Base interactions energy: -782.069 where: short stacking energy: -400.453 Base-Backbone interact. energy: 0.603 local terms energy: -447.066580 where: bonds (distance) C4'-P energy: -97.403 bonds (distance) P-C4' energy: -115.314 flat angles C4'-P-C4' energy: -109.248 flat angles P-C4'-P energy: -59.135 tors. eta vs tors. theta energy: -65.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -928.327550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.327550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.327550 (E_RNA) where: Base-Base interactions energy: -521.230 where: short stacking energy: -256.387 Base-Backbone interact. energy: 6.611 local terms energy: -413.708385 where: bonds (distance) C4'-P energy: -96.938 bonds (distance) P-C4' energy: -94.351 flat angles C4'-P-C4' energy: -97.517 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: -53.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -790.014159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.014159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.014159 (E_RNA) where: Base-Base interactions energy: -409.421 where: short stacking energy: -219.026 Base-Backbone interact. energy: 0.950 local terms energy: -381.542949 where: bonds (distance) C4'-P energy: -109.755 bonds (distance) P-C4' energy: -111.867 flat angles C4'-P-C4' energy: -90.161 flat angles P-C4'-P energy: -55.656 tors. eta vs tors. theta energy: -14.104 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: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -665.006992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.006992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.006992 (E_RNA) where: Base-Base interactions energy: -329.726 where: short stacking energy: -186.082 Base-Backbone interact. energy: -3.306 local terms energy: -331.975046 where: bonds (distance) C4'-P energy: -111.567 bonds (distance) P-C4' energy: -98.961 flat angles C4'-P-C4' energy: -93.274 flat angles P-C4'-P energy: -38.783 tors. eta vs tors. theta energy: 10.610 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: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2242.162097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.162097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.162097 (E_RNA) where: Base-Base interactions energy: -1539.262 where: short stacking energy: -654.999 Base-Backbone interact. energy: -3.234 local terms energy: -699.666432 where: bonds (distance) C4'-P energy: -120.480 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -145.196 flat angles P-C4'-P energy: -95.375 tors. eta vs tors. theta energy: -206.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2158.959252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.959252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.959252 (E_RNA) where: Base-Base interactions energy: -1489.567 where: short stacking energy: -627.450 Base-Backbone interact. energy: -2.393 local terms energy: -666.999225 where: bonds (distance) C4'-P energy: -129.223 bonds (distance) P-C4' energy: -127.740 flat angles C4'-P-C4' energy: -133.965 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -187.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2056.758736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.758736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.758736 (E_RNA) where: Base-Base interactions energy: -1388.343 where: short stacking energy: -624.434 Base-Backbone interact. energy: -1.668 local terms energy: -666.747638 where: bonds (distance) C4'-P energy: -123.199 bonds (distance) P-C4' energy: -123.625 flat angles C4'-P-C4' energy: -138.333 flat angles P-C4'-P energy: -94.996 tors. eta vs tors. theta energy: -186.595 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: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1933.980554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.980554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.980554 (E_RNA) where: Base-Base interactions energy: -1317.978 where: short stacking energy: -549.374 Base-Backbone interact. energy: -3.000 local terms energy: -613.002391 where: bonds (distance) C4'-P energy: -113.246 bonds (distance) P-C4' energy: -127.249 flat angles C4'-P-C4' energy: -143.924 flat angles P-C4'-P energy: -73.876 tors. eta vs tors. theta energy: -154.708 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: 439 Temperature: 1.100000 Total energy: -1738.175921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.175921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.175921 (E_RNA) where: Base-Base interactions energy: -1139.474 where: short stacking energy: -506.375 Base-Backbone interact. energy: -5.098 local terms energy: -593.604059 where: bonds (distance) C4'-P energy: -126.273 bonds (distance) P-C4' energy: -114.547 flat angles C4'-P-C4' energy: -137.645 flat angles P-C4'-P energy: -85.766 tors. eta vs tors. theta energy: -129.373 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: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1477.313605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.313605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.313605 (E_RNA) where: Base-Base interactions energy: -958.322 where: short stacking energy: -442.842 Base-Backbone interact. energy: -5.558 local terms energy: -513.433867 where: bonds (distance) C4'-P energy: -107.162 bonds (distance) P-C4' energy: -112.029 flat angles C4'-P-C4' energy: -112.680 flat angles P-C4'-P energy: -73.869 tors. eta vs tors. theta energy: -107.694 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1202.113889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.113889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.113889 (E_RNA) where: Base-Base interactions energy: -761.557 where: short stacking energy: -366.877 Base-Backbone interact. energy: -0.996 local terms energy: -439.560573 where: bonds (distance) C4'-P energy: -104.470 bonds (distance) P-C4' energy: -102.289 flat angles C4'-P-C4' energy: -102.883 flat angles P-C4'-P energy: -65.348 tors. eta vs tors. theta energy: -64.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -962.139251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.139251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.139251 (E_RNA) where: Base-Base interactions energy: -539.440 where: short stacking energy: -296.478 Base-Backbone interact. energy: 0.527 local terms energy: -423.225841 where: bonds (distance) C4'-P energy: -100.632 bonds (distance) P-C4' energy: -126.545 flat angles C4'-P-C4' energy: -91.570 flat angles P-C4'-P energy: -60.049 tors. eta vs tors. theta energy: -44.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -807.420786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.420786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.420786 (E_RNA) where: Base-Base interactions energy: -402.927 where: short stacking energy: -209.692 Base-Backbone interact. energy: -0.428 local terms energy: -404.066605 where: bonds (distance) C4'-P energy: -100.026 bonds (distance) P-C4' energy: -116.414 flat angles C4'-P-C4' energy: -98.927 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -21.551 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: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -718.356086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.356086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.356086 (E_RNA) where: Base-Base interactions energy: -395.966 where: short stacking energy: -201.503 Base-Backbone interact. energy: 0.896 local terms energy: -323.285268 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -87.494 flat angles C4'-P-C4' energy: -104.895 flat angles P-C4'-P energy: -32.688 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2269.432542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.432542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.432542 (E_RNA) where: Base-Base interactions energy: -1541.062 where: short stacking energy: -676.152 Base-Backbone interact. energy: -1.323 local terms energy: -727.047285 where: bonds (distance) C4'-P energy: -134.040 bonds (distance) P-C4' energy: -132.012 flat angles C4'-P-C4' energy: -149.201 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -202.944 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: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2144.052801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.052801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.052801 (E_RNA) where: Base-Base interactions energy: -1490.580 where: short stacking energy: -625.406 Base-Backbone interact. energy: -4.413 local terms energy: -649.059746 where: bonds (distance) C4'-P energy: -124.723 bonds (distance) P-C4' energy: -120.164 flat angles C4'-P-C4' energy: -139.052 flat angles P-C4'-P energy: -73.072 tors. eta vs tors. theta energy: -192.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2006.888471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.888471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.888471 (E_RNA) where: Base-Base interactions energy: -1349.360 where: short stacking energy: -589.676 Base-Backbone interact. energy: -4.042 local terms energy: -653.487000 where: bonds (distance) C4'-P energy: -108.118 bonds (distance) P-C4' energy: -136.730 flat angles C4'-P-C4' energy: -135.802 flat angles P-C4'-P energy: -93.157 tors. eta vs tors. theta energy: -179.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1958.211238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.211238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.211238 (E_RNA) where: Base-Base interactions energy: -1330.743 where: short stacking energy: -587.674 Base-Backbone interact. energy: -2.214 local terms energy: -625.254147 where: bonds (distance) C4'-P energy: -103.645 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -142.475 flat angles P-C4'-P energy: -82.698 tors. eta vs tors. theta energy: -172.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1770.272182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.272182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.272182 (E_RNA) where: Base-Base interactions energy: -1211.842 where: short stacking energy: -532.532 Base-Backbone interact. energy: -1.696 local terms energy: -556.734316 where: bonds (distance) C4'-P energy: -101.566 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -118.258 flat angles P-C4'-P energy: -81.165 tors. eta vs tors. theta energy: -157.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1494.656976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.656976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.656976 (E_RNA) where: Base-Base interactions energy: -993.122 where: short stacking energy: -433.037 Base-Backbone interact. energy: 0.087 local terms energy: -501.621975 where: bonds (distance) C4'-P energy: -84.997 bonds (distance) P-C4' energy: -111.014 flat angles C4'-P-C4' energy: -117.584 flat angles P-C4'-P energy: -76.398 tors. eta vs tors. theta energy: -111.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1210.603038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.603038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.603038 (E_RNA) where: Base-Base interactions energy: -771.113 where: short stacking energy: -361.469 Base-Backbone interact. energy: 3.560 local terms energy: -443.049721 where: bonds (distance) C4'-P energy: -98.982 bonds (distance) P-C4' energy: -99.578 flat angles C4'-P-C4' energy: -106.624 flat angles P-C4'-P energy: -74.228 tors. eta vs tors. theta energy: -63.637 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: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -952.777186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.777186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.777186 (E_RNA) where: Base-Base interactions energy: -536.863 where: short stacking energy: -257.585 Base-Backbone interact. energy: 0.483 local terms energy: -416.397182 where: bonds (distance) C4'-P energy: -102.665 bonds (distance) P-C4' energy: -113.025 flat angles C4'-P-C4' energy: -105.363 flat angles P-C4'-P energy: -83.831 tors. eta vs tors. theta energy: -11.513 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: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -707.164765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.164765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.164765 (E_RNA) where: Base-Base interactions energy: -332.435 where: short stacking energy: -207.939 Base-Backbone interact. energy: -2.575 local terms energy: -372.155259 where: bonds (distance) C4'-P energy: -103.552 bonds (distance) P-C4' energy: -130.395 flat angles C4'-P-C4' energy: -88.446 flat angles P-C4'-P energy: -40.894 tors. eta vs tors. theta energy: -8.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -711.783703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.783703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.783703 (E_RNA) where: Base-Base interactions energy: -388.596 where: short stacking energy: -182.960 Base-Backbone interact. energy: 0.928 local terms energy: -324.115697 where: bonds (distance) C4'-P energy: -89.494 bonds (distance) P-C4' energy: -100.537 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -63.714 tors. eta vs tors. theta energy: 12.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2275.474355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.474355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.474355 (E_RNA) where: Base-Base interactions energy: -1546.887 where: short stacking energy: -685.939 Base-Backbone interact. energy: -3.922 local terms energy: -724.665094 where: bonds (distance) C4'-P energy: -127.002 bonds (distance) P-C4' energy: -131.903 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -106.688 tors. eta vs tors. theta energy: -205.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2156.883997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.883997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.883997 (E_RNA) where: Base-Base interactions energy: -1502.086 where: short stacking energy: -620.439 Base-Backbone interact. energy: -2.872 local terms energy: -651.925657 where: bonds (distance) C4'-P energy: -116.432 bonds (distance) P-C4' energy: -126.486 flat angles C4'-P-C4' energy: -133.062 flat angles P-C4'-P energy: -86.736 tors. eta vs tors. theta energy: -189.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2014.653466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.653466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.653466 (E_RNA) where: Base-Base interactions energy: -1384.280 where: short stacking energy: -608.516 Base-Backbone interact. energy: -1.366 local terms energy: -629.007519 where: bonds (distance) C4'-P energy: -101.336 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -138.158 flat angles P-C4'-P energy: -91.930 tors. eta vs tors. theta energy: -175.926 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: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1965.293352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.293352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.293352 (E_RNA) where: Base-Base interactions energy: -1352.782 where: short stacking energy: -591.089 Base-Backbone interact. energy: -1.581 local terms energy: -610.930580 where: bonds (distance) C4'-P energy: -113.227 bonds (distance) P-C4' energy: -131.754 flat angles C4'-P-C4' energy: -117.624 flat angles P-C4'-P energy: -78.474 tors. eta vs tors. theta energy: -169.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1799.278891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.278891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.278891 (E_RNA) where: Base-Base interactions energy: -1218.660 where: short stacking energy: -532.951 Base-Backbone interact. energy: -2.908 local terms energy: -577.710986 where: bonds (distance) C4'-P energy: -113.392 bonds (distance) P-C4' energy: -116.012 flat angles C4'-P-C4' energy: -125.229 flat angles P-C4'-P energy: -80.402 tors. eta vs tors. theta energy: -142.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1392.552018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.552018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.552018 (E_RNA) where: Base-Base interactions energy: -860.033 where: short stacking energy: -393.796 Base-Backbone interact. energy: -4.964 local terms energy: -527.555417 where: bonds (distance) C4'-P energy: -104.553 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -111.328 flat angles P-C4'-P energy: -80.551 tors. eta vs tors. theta energy: -107.392 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: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1225.194603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.194603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.194603 (E_RNA) where: Base-Base interactions energy: -756.361 where: short stacking energy: -374.887 Base-Backbone interact. energy: -1.189 local terms energy: -467.644797 where: bonds (distance) C4'-P energy: -93.809 bonds (distance) P-C4' energy: -117.662 flat angles C4'-P-C4' energy: -108.037 flat angles P-C4'-P energy: -71.683 tors. eta vs tors. theta energy: -76.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1038.401346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.401346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.401346 (E_RNA) where: Base-Base interactions energy: -625.948 where: short stacking energy: -312.036 Base-Backbone interact. energy: 0.759 local terms energy: -413.212159 where: bonds (distance) C4'-P energy: -102.821 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -121.255 flat angles P-C4'-P energy: -51.351 tors. eta vs tors. theta energy: -37.086 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: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -726.759263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.759263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.759263 (E_RNA) where: Base-Base interactions energy: -351.777 where: short stacking energy: -180.339 Base-Backbone interact. energy: 3.467 local terms energy: -378.448700 where: bonds (distance) C4'-P energy: -111.553 bonds (distance) P-C4' energy: -100.248 flat angles C4'-P-C4' energy: -97.088 flat angles P-C4'-P energy: -69.495 tors. eta vs tors. theta energy: -0.065 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: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -702.730583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.730583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.730583 (E_RNA) where: Base-Base interactions energy: -338.317 where: short stacking energy: -181.221 Base-Backbone interact. energy: 2.703 local terms energy: -367.116775 where: bonds (distance) C4'-P energy: -93.772 bonds (distance) P-C4' energy: -118.832 flat angles C4'-P-C4' energy: -110.375 flat angles P-C4'-P energy: -50.757 tors. eta vs tors. theta energy: 6.618 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: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2233.510757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.510757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.510757 (E_RNA) where: Base-Base interactions energy: -1553.322 where: short stacking energy: -666.529 Base-Backbone interact. energy: -3.099 local terms energy: -677.089837 where: bonds (distance) C4'-P energy: -109.863 bonds (distance) P-C4' energy: -124.716 flat angles C4'-P-C4' energy: -141.635 flat angles P-C4'-P energy: -98.546 tors. eta vs tors. theta energy: -202.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2161.149639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.149639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.149639 (E_RNA) where: Base-Base interactions energy: -1511.466 where: short stacking energy: -631.439 Base-Backbone interact. energy: 0.414 local terms energy: -650.096751 where: bonds (distance) C4'-P energy: -116.525 bonds (distance) P-C4' energy: -123.459 flat angles C4'-P-C4' energy: -135.357 flat angles P-C4'-P energy: -88.696 tors. eta vs tors. theta energy: -186.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2001.822664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.822664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.822664 (E_RNA) where: Base-Base interactions energy: -1340.458 where: short stacking energy: -587.881 Base-Backbone interact. energy: -2.848 local terms energy: -658.516014 where: bonds (distance) C4'-P energy: -124.161 bonds (distance) P-C4' energy: -131.663 flat angles C4'-P-C4' energy: -140.096 flat angles P-C4'-P energy: -95.888 tors. eta vs tors. theta energy: -166.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1947.920842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.920842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.920842 (E_RNA) where: Base-Base interactions energy: -1336.065 where: short stacking energy: -577.777 Base-Backbone interact. energy: 1.801 local terms energy: -613.657078 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -132.715 flat angles P-C4'-P energy: -84.657 tors. eta vs tors. theta energy: -158.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1800.561259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.561259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.561259 (E_RNA) where: Base-Base interactions energy: -1233.741 where: short stacking energy: -554.933 Base-Backbone interact. energy: 2.441 local terms energy: -569.261711 where: bonds (distance) C4'-P energy: -112.532 bonds (distance) P-C4' energy: -104.837 flat angles C4'-P-C4' energy: -127.808 flat angles P-C4'-P energy: -76.734 tors. eta vs tors. theta energy: -147.351 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: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1389.355134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.355134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.355134 (E_RNA) where: Base-Base interactions energy: -852.585 where: short stacking energy: -385.520 Base-Backbone interact. energy: -0.249 local terms energy: -536.521826 where: bonds (distance) C4'-P energy: -112.844 bonds (distance) P-C4' energy: -119.078 flat angles C4'-P-C4' energy: -131.601 flat angles P-C4'-P energy: -79.681 tors. eta vs tors. theta energy: -93.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1095.248976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.248976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.248976 (E_RNA) where: Base-Base interactions energy: -647.354 where: short stacking energy: -322.891 Base-Backbone interact. energy: 0.824 local terms energy: -448.718454 where: bonds (distance) C4'-P energy: -111.564 bonds (distance) P-C4' energy: -130.725 flat angles C4'-P-C4' energy: -105.389 flat angles P-C4'-P energy: -49.453 tors. eta vs tors. theta energy: -51.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1124.937724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.937724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.937724 (E_RNA) where: Base-Base interactions energy: -697.558 where: short stacking energy: -316.273 Base-Backbone interact. energy: 0.389 local terms energy: -427.768794 where: bonds (distance) C4'-P energy: -103.457 bonds (distance) P-C4' energy: -100.784 flat angles C4'-P-C4' energy: -110.044 flat angles P-C4'-P energy: -61.956 tors. eta vs tors. theta energy: -51.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -711.888090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.888090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.888090 (E_RNA) where: Base-Base interactions energy: -350.455 where: short stacking energy: -221.469 Base-Backbone interact. energy: 1.022 local terms energy: -362.455613 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -99.384 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -12.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -693.398945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.398945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.398945 (E_RNA) where: Base-Base interactions energy: -363.130 where: short stacking energy: -204.683 Base-Backbone interact. energy: 4.610 local terms energy: -334.879089 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -97.195 flat angles C4'-P-C4' energy: -99.542 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -11.375 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: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2250.297011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.297011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.297011 (E_RNA) where: Base-Base interactions energy: -1541.269 where: short stacking energy: -636.951 Base-Backbone interact. energy: -4.453 local terms energy: -704.574709 where: bonds (distance) C4'-P energy: -128.019 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -147.147 flat angles P-C4'-P energy: -104.341 tors. eta vs tors. theta energy: -201.755 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: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2157.929286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.929286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.929286 (E_RNA) where: Base-Base interactions energy: -1497.971 where: short stacking energy: -625.997 Base-Backbone interact. energy: -3.400 local terms energy: -656.558439 where: bonds (distance) C4'-P energy: -114.541 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -140.341 flat angles P-C4'-P energy: -89.694 tors. eta vs tors. theta energy: -186.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2005.655458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.655458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.655458 (E_RNA) where: Base-Base interactions energy: -1386.869 where: short stacking energy: -591.564 Base-Backbone interact. energy: -0.793 local terms energy: -617.993990 where: bonds (distance) C4'-P energy: -117.951 bonds (distance) P-C4' energy: -107.629 flat angles C4'-P-C4' energy: -134.359 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: -174.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1905.956125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.956125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.956125 (E_RNA) where: Base-Base interactions energy: -1301.242 where: short stacking energy: -563.684 Base-Backbone interact. energy: -3.010 local terms energy: -601.704931 where: bonds (distance) C4'-P energy: -115.710 bonds (distance) P-C4' energy: -108.905 flat angles C4'-P-C4' energy: -130.836 flat angles P-C4'-P energy: -74.243 tors. eta vs tors. theta energy: -172.010 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: 443 Temperature: 1.100000 Total energy: -1829.258264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.258264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.258264 (E_RNA) where: Base-Base interactions energy: -1256.717 where: short stacking energy: -580.771 Base-Backbone interact. energy: 0.338 local terms energy: -572.879510 where: bonds (distance) C4'-P energy: -110.770 bonds (distance) P-C4' energy: -120.600 flat angles C4'-P-C4' energy: -116.404 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -161.737 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: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1429.171174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.171174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.171174 (E_RNA) where: Base-Base interactions energy: -944.007 where: short stacking energy: -464.568 Base-Backbone interact. energy: -1.875 local terms energy: -483.289170 where: bonds (distance) C4'-P energy: -91.468 bonds (distance) P-C4' energy: -100.526 flat angles C4'-P-C4' energy: -120.990 flat angles P-C4'-P energy: -65.684 tors. eta vs tors. theta energy: -104.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1048.151574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.151574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.151574 (E_RNA) where: Base-Base interactions energy: -625.319 where: short stacking energy: -326.340 Base-Backbone interact. energy: 1.363 local terms energy: -424.195534 where: bonds (distance) C4'-P energy: -92.796 bonds (distance) P-C4' energy: -113.077 flat angles C4'-P-C4' energy: -123.374 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -36.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1134.232668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.232668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.232668 (E_RNA) where: Base-Base interactions energy: -666.378 where: short stacking energy: -310.125 Base-Backbone interact. energy: 1.761 local terms energy: -469.614846 where: bonds (distance) C4'-P energy: -97.710 bonds (distance) P-C4' energy: -131.574 flat angles C4'-P-C4' energy: -104.604 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -65.993 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: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -749.282609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.282609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.282609 (E_RNA) where: Base-Base interactions energy: -362.713 where: short stacking energy: -196.153 Base-Backbone interact. energy: -1.293 local terms energy: -385.276748 where: bonds (distance) C4'-P energy: -104.534 bonds (distance) P-C4' energy: -108.351 flat angles C4'-P-C4' energy: -115.842 flat angles P-C4'-P energy: -54.958 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -662.715418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.715418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.715418 (E_RNA) where: Base-Base interactions energy: -318.552 where: short stacking energy: -188.247 Base-Backbone interact. energy: 0.023 local terms energy: -344.186762 where: bonds (distance) C4'-P energy: -118.148 bonds (distance) P-C4' energy: -114.299 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: 1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2245.984671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.984671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.984671 (E_RNA) where: Base-Base interactions energy: -1541.041 where: short stacking energy: -677.185 Base-Backbone interact. energy: -2.863 local terms energy: -702.080194 where: bonds (distance) C4'-P energy: -127.966 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -148.725 flat angles P-C4'-P energy: -95.585 tors. eta vs tors. theta energy: -198.477 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: 3 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2155.324459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.324459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.324459 (E_RNA) where: Base-Base interactions energy: -1492.443 where: short stacking energy: -609.206 Base-Backbone interact. energy: -4.847 local terms energy: -658.034782 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -112.309 flat angles C4'-P-C4' energy: -143.695 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -186.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2009.146015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.146015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.146015 (E_RNA) where: Base-Base interactions energy: -1378.187 where: short stacking energy: -606.361 Base-Backbone interact. energy: -0.025 local terms energy: -630.934021 where: bonds (distance) C4'-P energy: -101.003 bonds (distance) P-C4' energy: -116.424 flat angles C4'-P-C4' energy: -138.736 flat angles P-C4'-P energy: -100.651 tors. eta vs tors. theta energy: -174.120 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: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1877.863364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.863364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.863364 (E_RNA) where: Base-Base interactions energy: -1257.547 where: short stacking energy: -593.044 Base-Backbone interact. energy: -0.061 local terms energy: -620.255647 where: bonds (distance) C4'-P energy: -103.322 bonds (distance) P-C4' energy: -116.479 flat angles C4'-P-C4' energy: -147.182 flat angles P-C4'-P energy: -84.914 tors. eta vs tors. theta energy: -168.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1842.785899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.785899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.785899 (E_RNA) where: Base-Base interactions energy: -1245.583 where: short stacking energy: -565.666 Base-Backbone interact. energy: -2.005 local terms energy: -595.197936 where: bonds (distance) C4'-P energy: -110.643 bonds (distance) P-C4' energy: -103.184 flat angles C4'-P-C4' energy: -127.773 flat angles P-C4'-P energy: -99.730 tors. eta vs tors. theta energy: -153.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1463.886993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.886993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.886993 (E_RNA) where: Base-Base interactions energy: -979.755 where: short stacking energy: -434.590 Base-Backbone interact. energy: 0.234 local terms energy: -484.365758 where: bonds (distance) C4'-P energy: -90.594 bonds (distance) P-C4' energy: -111.887 flat angles C4'-P-C4' energy: -119.105 flat angles P-C4'-P energy: -54.941 tors. eta vs tors. theta energy: -107.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1191.798242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.798242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.798242 (E_RNA) where: Base-Base interactions energy: -706.688 where: short stacking energy: -352.583 Base-Backbone interact. energy: 0.669 local terms energy: -485.778793 where: bonds (distance) C4'-P energy: -107.032 bonds (distance) P-C4' energy: -118.854 flat angles C4'-P-C4' energy: -105.760 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -84.205 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: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1023.465263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.465263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.465263 (E_RNA) where: Base-Base interactions energy: -588.093 where: short stacking energy: -293.158 Base-Backbone interact. energy: -2.491 local terms energy: -432.881961 where: bonds (distance) C4'-P energy: -109.086 bonds (distance) P-C4' energy: -108.836 flat angles C4'-P-C4' energy: -104.407 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -48.918 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: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -763.513939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.513939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.513939 (E_RNA) where: Base-Base interactions energy: -394.294 where: short stacking energy: -226.324 Base-Backbone interact. energy: 6.773 local terms energy: -375.993312 where: bonds (distance) C4'-P energy: -90.944 bonds (distance) P-C4' energy: -122.952 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: -6.996 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: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -622.174305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.174305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.174305 (E_RNA) where: Base-Base interactions energy: -285.225 where: short stacking energy: -179.973 Base-Backbone interact. energy: 3.371 local terms energy: -340.320118 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -90.801 flat angles C4'-P-C4' energy: -102.343 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: 2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2248.604192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.604192 (E_RNA) where: Base-Base interactions energy: -1522.289 where: short stacking energy: -677.740 Base-Backbone interact. energy: -2.786 local terms energy: -723.529002 where: bonds (distance) C4'-P energy: -140.701 bonds (distance) P-C4' energy: -136.484 flat angles C4'-P-C4' energy: -143.187 flat angles P-C4'-P energy: -103.839 tors. eta vs tors. theta energy: -199.318 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: 445 Temperature: 0.950000 Total energy: -2168.808535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.808535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.808535 (E_RNA) where: Base-Base interactions energy: -1517.397 where: short stacking energy: -643.040 Base-Backbone interact. energy: -2.239 local terms energy: -649.172769 where: bonds (distance) C4'-P energy: -118.676 bonds (distance) P-C4' energy: -129.525 flat angles C4'-P-C4' energy: -141.760 flat angles P-C4'-P energy: -70.639 tors. eta vs tors. theta energy: -188.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2029.905233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.905233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.905233 (E_RNA) where: Base-Base interactions energy: -1393.006 where: short stacking energy: -604.076 Base-Backbone interact. energy: 0.613 local terms energy: -637.512044 where: bonds (distance) C4'-P energy: -111.028 bonds (distance) P-C4' energy: -131.433 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -83.684 tors. eta vs tors. theta energy: -177.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1912.907749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.907749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.907749 (E_RNA) where: Base-Base interactions energy: -1279.875 where: short stacking energy: -572.660 Base-Backbone interact. energy: -4.031 local terms energy: -629.001865 where: bonds (distance) C4'-P energy: -114.050 bonds (distance) P-C4' energy: -123.014 flat angles C4'-P-C4' energy: -143.559 flat angles P-C4'-P energy: -86.600 tors. eta vs tors. theta energy: -161.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1776.286141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.286141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.286141 (E_RNA) where: Base-Base interactions energy: -1201.647 where: short stacking energy: -533.441 Base-Backbone interact. energy: -2.030 local terms energy: -572.608854 where: bonds (distance) C4'-P energy: -110.549 bonds (distance) P-C4' energy: -112.027 flat angles C4'-P-C4' energy: -109.631 flat angles P-C4'-P energy: -97.324 tors. eta vs tors. theta energy: -143.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1457.428288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.428288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.428288 (E_RNA) where: Base-Base interactions energy: -945.572 where: short stacking energy: -443.311 Base-Backbone interact. energy: -4.527 local terms energy: -507.329131 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -101.483 flat angles C4'-P-C4' energy: -111.616 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: -116.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1165.114405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.114405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.114405 (E_RNA) where: Base-Base interactions energy: -716.170 where: short stacking energy: -333.161 Base-Backbone interact. energy: -4.685 local terms energy: -444.259855 where: bonds (distance) C4'-P energy: -101.562 bonds (distance) P-C4' energy: -96.949 flat angles C4'-P-C4' energy: -122.149 flat angles P-C4'-P energy: -67.302 tors. eta vs tors. theta energy: -56.298 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: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -963.468915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.468915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.468915 (E_RNA) where: Base-Base interactions energy: -546.306 where: short stacking energy: -281.398 Base-Backbone interact. energy: -0.672 local terms energy: -416.491645 where: bonds (distance) C4'-P energy: -108.898 bonds (distance) P-C4' energy: -100.214 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -45.779 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: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -740.077126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.077126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.077126 (E_RNA) where: Base-Base interactions energy: -375.117 where: short stacking energy: -195.872 Base-Backbone interact. energy: 2.929 local terms energy: -367.888801 where: bonds (distance) C4'-P energy: -105.851 bonds (distance) P-C4' energy: -111.845 flat angles C4'-P-C4' energy: -109.645 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: 5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -614.741845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.741845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.741845 (E_RNA) where: Base-Base interactions energy: -307.282 where: short stacking energy: -174.069 Base-Backbone interact. energy: -0.517 local terms energy: -306.942980 where: bonds (distance) C4'-P energy: -65.997 bonds (distance) P-C4' energy: -94.644 flat angles C4'-P-C4' energy: -95.944 flat angles P-C4'-P energy: -56.993 tors. eta vs tors. theta energy: 6.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2221.813498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.813498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.813498 (E_RNA) where: Base-Base interactions energy: -1530.309 where: short stacking energy: -682.736 Base-Backbone interact. energy: -4.484 local terms energy: -687.020876 where: bonds (distance) C4'-P energy: -107.955 bonds (distance) P-C4' energy: -118.653 flat angles C4'-P-C4' energy: -146.417 flat angles P-C4'-P energy: -108.633 tors. eta vs tors. theta energy: -205.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2188.842024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.842024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.842024 (E_RNA) where: Base-Base interactions energy: -1515.485 where: short stacking energy: -652.081 Base-Backbone interact. energy: -3.555 local terms energy: -669.801493 where: bonds (distance) C4'-P energy: -133.303 bonds (distance) P-C4' energy: -119.859 flat angles C4'-P-C4' energy: -133.064 flat angles P-C4'-P energy: -85.160 tors. eta vs tors. theta energy: -198.415 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: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2026.466464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.466464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.466464 (E_RNA) where: Base-Base interactions energy: -1378.707 where: short stacking energy: -594.372 Base-Backbone interact. energy: -2.308 local terms energy: -645.451577 where: bonds (distance) C4'-P energy: -116.552 bonds (distance) P-C4' energy: -120.267 flat angles C4'-P-C4' energy: -140.963 flat angles P-C4'-P energy: -85.349 tors. eta vs tors. theta energy: -182.321 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: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1903.207353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.207353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.207353 (E_RNA) where: Base-Base interactions energy: -1306.816 where: short stacking energy: -575.596 Base-Backbone interact. energy: -2.866 local terms energy: -593.525012 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -118.749 flat angles C4'-P-C4' energy: -121.326 flat angles P-C4'-P energy: -90.790 tors. eta vs tors. theta energy: -157.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1774.320066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.320066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.320066 (E_RNA) where: Base-Base interactions energy: -1183.577 where: short stacking energy: -529.085 Base-Backbone interact. energy: -2.377 local terms energy: -588.366824 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -116.335 flat angles C4'-P-C4' energy: -127.890 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -147.720 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: 6, replica: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1465.701716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.701716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.701716 (E_RNA) where: Base-Base interactions energy: -961.720 where: short stacking energy: -447.944 Base-Backbone interact. energy: -4.110 local terms energy: -499.871851 where: bonds (distance) C4'-P energy: -102.518 bonds (distance) P-C4' energy: -101.121 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -84.025 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: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1207.039337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.039337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.039337 (E_RNA) where: Base-Base interactions energy: -710.190 where: short stacking energy: -353.889 Base-Backbone interact. energy: -3.206 local terms energy: -493.643285 where: bonds (distance) C4'-P energy: -110.467 bonds (distance) P-C4' energy: -106.842 flat angles C4'-P-C4' energy: -119.142 flat angles P-C4'-P energy: -79.734 tors. eta vs tors. theta energy: -77.459 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: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -917.132393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.132393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.132393 (E_RNA) where: Base-Base interactions energy: -550.818 where: short stacking energy: -270.189 Base-Backbone interact. energy: 0.421 local terms energy: -366.735560 where: bonds (distance) C4'-P energy: -99.978 bonds (distance) P-C4' energy: -95.317 flat angles C4'-P-C4' energy: -90.484 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -29.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -741.004133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.004133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.004133 (E_RNA) where: Base-Base interactions energy: -387.948 where: short stacking energy: -228.790 Base-Backbone interact. energy: 2.492 local terms energy: -355.548057 where: bonds (distance) C4'-P energy: -104.694 bonds (distance) P-C4' energy: -104.628 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -73.576 tors. eta vs tors. theta energy: 8.603 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: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -592.046381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.046381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.046381 (E_RNA) where: Base-Base interactions energy: -266.470 where: short stacking energy: -148.654 Base-Backbone interact. energy: 0.590 local terms energy: -326.166215 where: bonds (distance) C4'-P energy: -108.083 bonds (distance) P-C4' energy: -97.822 flat angles C4'-P-C4' energy: -81.220 flat angles P-C4'-P energy: -67.124 tors. eta vs tors. theta energy: 28.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2245.246784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.246784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.246784 (E_RNA) where: Base-Base interactions energy: -1568.911 where: short stacking energy: -651.648 Base-Backbone interact. energy: -4.253 local terms energy: -672.082531 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -117.912 flat angles C4'-P-C4' energy: -148.202 flat angles P-C4'-P energy: -96.185 tors. eta vs tors. theta energy: -196.434 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: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2173.027223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.027223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.027223 (E_RNA) where: Base-Base interactions energy: -1518.335 where: short stacking energy: -660.881 Base-Backbone interact. energy: -4.406 local terms energy: -650.285901 where: bonds (distance) C4'-P energy: -119.303 bonds (distance) P-C4' energy: -109.382 flat angles C4'-P-C4' energy: -136.123 flat angles P-C4'-P energy: -87.177 tors. eta vs tors. theta energy: -198.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2049.832664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.832664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.832664 (E_RNA) where: Base-Base interactions energy: -1382.697 where: short stacking energy: -599.321 Base-Backbone interact. energy: -1.990 local terms energy: -665.145864 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -120.850 flat angles C4'-P-C4' energy: -143.903 flat angles P-C4'-P energy: -96.019 tors. eta vs tors. theta energy: -182.674 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: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1915.223409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.223409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.223409 (E_RNA) where: Base-Base interactions energy: -1310.598 where: short stacking energy: -543.511 Base-Backbone interact. energy: -1.415 local terms energy: -603.210787 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -117.388 flat angles C4'-P-C4' energy: -133.034 flat angles P-C4'-P energy: -86.674 tors. eta vs tors. theta energy: -146.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1799.537950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.537950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.537950 (E_RNA) where: Base-Base interactions energy: -1226.553 where: short stacking energy: -537.228 Base-Backbone interact. energy: -3.209 local terms energy: -569.775548 where: bonds (distance) C4'-P energy: -124.768 bonds (distance) P-C4' energy: -109.275 flat angles C4'-P-C4' energy: -121.880 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -142.551 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: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1433.684532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.684532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.684532 (E_RNA) where: Base-Base interactions energy: -916.249 where: short stacking energy: -397.585 Base-Backbone interact. energy: -1.938 local terms energy: -515.498363 where: bonds (distance) C4'-P energy: -114.027 bonds (distance) P-C4' energy: -112.825 flat angles C4'-P-C4' energy: -117.006 flat angles P-C4'-P energy: -78.887 tors. eta vs tors. theta energy: -92.753 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: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1222.433711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.433711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.433711 (E_RNA) where: Base-Base interactions energy: -750.838 where: short stacking energy: -368.972 Base-Backbone interact. energy: 0.862 local terms energy: -472.458025 where: bonds (distance) C4'-P energy: -113.605 bonds (distance) P-C4' energy: -115.049 flat angles C4'-P-C4' energy: -97.112 flat angles P-C4'-P energy: -59.526 tors. eta vs tors. theta energy: -87.166 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: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -958.147635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.147635 (E_RNA) where: Base-Base interactions energy: -569.080 where: short stacking energy: -272.600 Base-Backbone interact. energy: 3.827 local terms energy: -392.894770 where: bonds (distance) C4'-P energy: -102.698 bonds (distance) P-C4' energy: -110.825 flat angles C4'-P-C4' energy: -105.566 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -21.883 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: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -695.788352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.788352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.788352 (E_RNA) where: Base-Base interactions energy: -338.684 where: short stacking energy: -201.822 Base-Backbone interact. energy: 0.427 local terms energy: -357.531661 where: bonds (distance) C4'-P energy: -93.438 bonds (distance) P-C4' energy: -93.105 flat angles C4'-P-C4' energy: -102.244 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: 0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -609.497536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.497536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.497536 (E_RNA) where: Base-Base interactions energy: -277.537 where: short stacking energy: -176.396 Base-Backbone interact. energy: 2.930 local terms energy: -334.890758 where: bonds (distance) C4'-P energy: -85.490 bonds (distance) P-C4' energy: -99.172 flat angles C4'-P-C4' energy: -90.765 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: 5.919 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: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2236.870666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.870666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.870666 (E_RNA) where: Base-Base interactions energy: -1559.712 where: short stacking energy: -683.024 Base-Backbone interact. energy: -2.353 local terms energy: -674.805831 where: bonds (distance) C4'-P energy: -120.492 bonds (distance) P-C4' energy: -129.310 flat angles C4'-P-C4' energy: -147.469 flat angles P-C4'-P energy: -76.688 tors. eta vs tors. theta energy: -200.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2174.349713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.349713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.349713 (E_RNA) where: Base-Base interactions energy: -1519.211 where: short stacking energy: -649.529 Base-Backbone interact. energy: -1.903 local terms energy: -653.236133 where: bonds (distance) C4'-P energy: -110.163 bonds (distance) P-C4' energy: -116.943 flat angles C4'-P-C4' energy: -151.598 flat angles P-C4'-P energy: -82.640 tors. eta vs tors. theta energy: -191.893 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: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2058.222019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.222019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.222019 (E_RNA) where: Base-Base interactions energy: -1388.903 where: short stacking energy: -610.896 Base-Backbone interact. energy: -0.991 local terms energy: -668.327779 where: bonds (distance) C4'-P energy: -120.898 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -139.363 flat angles P-C4'-P energy: -103.255 tors. eta vs tors. theta energy: -181.032 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: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1900.720575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.720575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.720575 (E_RNA) where: Base-Base interactions energy: -1318.536 where: short stacking energy: -557.715 Base-Backbone interact. energy: -1.592 local terms energy: -580.592532 where: bonds (distance) C4'-P energy: -104.354 bonds (distance) P-C4' energy: -110.947 flat angles C4'-P-C4' energy: -123.963 flat angles P-C4'-P energy: -83.864 tors. eta vs tors. theta energy: -157.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1816.682479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.682479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.682479 (E_RNA) where: Base-Base interactions energy: -1265.934 where: short stacking energy: -547.687 Base-Backbone interact. energy: 5.593 local terms energy: -556.340799 where: bonds (distance) C4'-P energy: -91.218 bonds (distance) P-C4' energy: -125.307 flat angles C4'-P-C4' energy: -120.157 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -141.412 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: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1428.089558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.089558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.089558 (E_RNA) where: Base-Base interactions energy: -960.652 where: short stacking energy: -466.779 Base-Backbone interact. energy: -2.459 local terms energy: -464.978785 where: bonds (distance) C4'-P energy: -91.256 bonds (distance) P-C4' energy: -96.833 flat angles C4'-P-C4' energy: -123.776 flat angles P-C4'-P energy: -50.908 tors. eta vs tors. theta energy: -102.206 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1188.371275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.371275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.371275 (E_RNA) where: Base-Base interactions energy: -757.206 where: short stacking energy: -361.905 Base-Backbone interact. energy: 4.135 local terms energy: -435.299839 where: bonds (distance) C4'-P energy: -106.473 bonds (distance) P-C4' energy: -96.357 flat angles C4'-P-C4' energy: -100.036 flat angles P-C4'-P energy: -60.669 tors. eta vs tors. theta energy: -71.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -948.485929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.485929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.485929 (E_RNA) where: Base-Base interactions energy: -571.535 where: short stacking energy: -273.002 Base-Backbone interact. energy: -0.661 local terms energy: -376.289078 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -95.285 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -52.459 tors. eta vs tors. theta energy: -36.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -739.127418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.127418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.127418 (E_RNA) where: Base-Base interactions energy: -366.394 where: short stacking energy: -207.280 Base-Backbone interact. energy: 3.152 local terms energy: -375.885695 where: bonds (distance) C4'-P energy: -95.232 bonds (distance) P-C4' energy: -108.347 flat angles C4'-P-C4' energy: -91.479 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -14.232 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: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -673.378189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.378189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.378189 (E_RNA) where: Base-Base interactions energy: -322.094 where: short stacking energy: -183.930 Base-Backbone interact. energy: 4.998 local terms energy: -356.281959 where: bonds (distance) C4'-P energy: -116.432 bonds (distance) P-C4' energy: -97.820 flat angles C4'-P-C4' energy: -83.310 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -7.813 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: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2234.108783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.108783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.108783 (E_RNA) where: Base-Base interactions energy: -1537.179 where: short stacking energy: -646.269 Base-Backbone interact. energy: -2.681 local terms energy: -694.248188 where: bonds (distance) C4'-P energy: -128.786 bonds (distance) P-C4' energy: -134.301 flat angles C4'-P-C4' energy: -135.647 flat angles P-C4'-P energy: -94.326 tors. eta vs tors. theta energy: -201.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2154.076024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.076024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.076024 (E_RNA) where: Base-Base interactions energy: -1472.737 where: short stacking energy: -628.639 Base-Backbone interact. energy: -4.616 local terms energy: -676.722615 where: bonds (distance) C4'-P energy: -127.016 bonds (distance) P-C4' energy: -117.387 flat angles C4'-P-C4' energy: -150.007 flat angles P-C4'-P energy: -92.877 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: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2077.334220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.334220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.334220 (E_RNA) where: Base-Base interactions energy: -1407.066 where: short stacking energy: -622.480 Base-Backbone interact. energy: -6.282 local terms energy: -663.986694 where: bonds (distance) C4'-P energy: -130.361 bonds (distance) P-C4' energy: -106.164 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -192.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1877.113990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.113990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.113990 (E_RNA) where: Base-Base interactions energy: -1274.303 where: short stacking energy: -566.357 Base-Backbone interact. energy: -0.739 local terms energy: -602.071454 where: bonds (distance) C4'-P energy: -113.467 bonds (distance) P-C4' energy: -123.435 flat angles C4'-P-C4' energy: -127.777 flat angles P-C4'-P energy: -77.207 tors. eta vs tors. theta energy: -160.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1830.869828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.869828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.869828 (E_RNA) where: Base-Base interactions energy: -1239.780 where: short stacking energy: -540.260 Base-Backbone interact. energy: -2.362 local terms energy: -588.728457 where: bonds (distance) C4'-P energy: -114.917 bonds (distance) P-C4' energy: -114.206 flat angles C4'-P-C4' energy: -120.227 flat angles P-C4'-P energy: -84.095 tors. eta vs tors. theta energy: -155.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1436.770460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.770460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.770460 (E_RNA) where: Base-Base interactions energy: -931.688 where: short stacking energy: -426.529 Base-Backbone interact. energy: -1.829 local terms energy: -503.253782 where: bonds (distance) C4'-P energy: -104.162 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -114.003 flat angles P-C4'-P energy: -69.257 tors. eta vs tors. theta energy: -98.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1184.961417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.961417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.961417 (E_RNA) where: Base-Base interactions energy: -733.053 where: short stacking energy: -358.083 Base-Backbone interact. energy: 0.743 local terms energy: -452.651444 where: bonds (distance) C4'-P energy: -98.779 bonds (distance) P-C4' energy: -104.215 flat angles C4'-P-C4' energy: -113.243 flat angles P-C4'-P energy: -72.815 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: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -960.031525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.031525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.031525 (E_RNA) where: Base-Base interactions energy: -564.909 where: short stacking energy: -288.989 Base-Backbone interact. energy: 4.038 local terms energy: -399.160151 where: bonds (distance) C4'-P energy: -104.282 bonds (distance) P-C4' energy: -110.703 flat angles C4'-P-C4' energy: -88.158 flat angles P-C4'-P energy: -64.809 tors. eta vs tors. theta energy: -31.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -726.667729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.667729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.667729 (E_RNA) where: Base-Base interactions energy: -350.969 where: short stacking energy: -181.694 Base-Backbone interact. energy: 1.774 local terms energy: -377.472767 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -122.299 flat angles C4'-P-C4' energy: -85.787 flat angles P-C4'-P energy: -59.924 tors. eta vs tors. theta energy: 7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -682.740836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.740836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.740836 (E_RNA) where: Base-Base interactions energy: -327.329 where: short stacking energy: -179.979 Base-Backbone interact. energy: -1.252 local terms energy: -354.159703 where: bonds (distance) C4'-P energy: -106.934 bonds (distance) P-C4' energy: -105.805 flat angles C4'-P-C4' energy: -91.806 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2189.915705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.915705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.915705 (E_RNA) where: Base-Base interactions energy: -1529.271 where: short stacking energy: -640.177 Base-Backbone interact. energy: 0.524 local terms energy: -661.167831 where: bonds (distance) C4'-P energy: -122.247 bonds (distance) P-C4' energy: -116.577 flat angles C4'-P-C4' energy: -140.041 flat angles P-C4'-P energy: -92.413 tors. eta vs tors. theta energy: -189.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2154.950454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.950454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.950454 (E_RNA) where: Base-Base interactions energy: -1484.255 where: short stacking energy: -619.739 Base-Backbone interact. energy: -2.021 local terms energy: -668.674055 where: bonds (distance) C4'-P energy: -125.907 bonds (distance) P-C4' energy: -119.858 flat angles C4'-P-C4' energy: -136.843 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -190.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2074.695720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.695720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.695720 (E_RNA) where: Base-Base interactions energy: -1431.878 where: short stacking energy: -625.766 Base-Backbone interact. energy: -4.816 local terms energy: -638.001805 where: bonds (distance) C4'-P energy: -115.201 bonds (distance) P-C4' energy: -116.420 flat angles C4'-P-C4' energy: -132.902 flat angles P-C4'-P energy: -94.711 tors. eta vs tors. theta energy: -178.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1866.881284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.881284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.881284 (E_RNA) where: Base-Base interactions energy: -1243.597 where: short stacking energy: -577.208 Base-Backbone interact. energy: -0.113 local terms energy: -623.170903 where: bonds (distance) C4'-P energy: -110.508 bonds (distance) P-C4' energy: -126.403 flat angles C4'-P-C4' energy: -130.379 flat angles P-C4'-P energy: -94.255 tors. eta vs tors. theta energy: -161.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1779.315741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.315741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.315741 (E_RNA) where: Base-Base interactions energy: -1206.375 where: short stacking energy: -500.067 Base-Backbone interact. energy: -3.207 local terms energy: -569.733409 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -127.954 flat angles P-C4'-P energy: -60.522 tors. eta vs tors. theta energy: -143.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1450.719692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.719692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.719692 (E_RNA) where: Base-Base interactions energy: -930.355 where: short stacking energy: -421.444 Base-Backbone interact. energy: -2.284 local terms energy: -518.080377 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -122.488 flat angles C4'-P-C4' energy: -123.463 flat angles P-C4'-P energy: -73.220 tors. eta vs tors. theta energy: -88.382 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: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1217.803855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.803855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.803855 (E_RNA) where: Base-Base interactions energy: -764.649 where: short stacking energy: -366.308 Base-Backbone interact. energy: 0.964 local terms energy: -454.118987 where: bonds (distance) C4'-P energy: -102.797 bonds (distance) P-C4' energy: -110.009 flat angles C4'-P-C4' energy: -102.291 flat angles P-C4'-P energy: -70.707 tors. eta vs tors. theta energy: -68.315 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: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -900.082575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.082575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.082575 (E_RNA) where: Base-Base interactions energy: -494.227 where: short stacking energy: -271.400 Base-Backbone interact. energy: 2.167 local terms energy: -408.021942 where: bonds (distance) C4'-P energy: -103.634 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -91.016 flat angles P-C4'-P energy: -74.091 tors. eta vs tors. theta energy: -32.887 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: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -723.567272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.567272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.567272 (E_RNA) where: Base-Base interactions energy: -382.973 where: short stacking energy: -240.939 Base-Backbone interact. energy: 1.136 local terms energy: -341.730592 where: bonds (distance) C4'-P energy: -76.694 bonds (distance) P-C4' energy: -98.635 flat angles C4'-P-C4' energy: -99.502 flat angles P-C4'-P energy: -56.924 tors. eta vs tors. theta energy: -9.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -625.277374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.277374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.277374 (E_RNA) where: Base-Base interactions energy: -316.739 where: short stacking energy: -168.028 Base-Backbone interact. energy: -1.383 local terms energy: -307.155342 where: bonds (distance) C4'-P energy: -84.581 bonds (distance) P-C4' energy: -115.550 flat angles C4'-P-C4' energy: -79.180 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: 18.610 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: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2222.252260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.252260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.252260 (E_RNA) where: Base-Base interactions energy: -1532.658 where: short stacking energy: -652.176 Base-Backbone interact. energy: -0.801 local terms energy: -688.793138 where: bonds (distance) C4'-P energy: -115.999 bonds (distance) P-C4' energy: -132.838 flat angles C4'-P-C4' energy: -150.121 flat angles P-C4'-P energy: -94.533 tors. eta vs tors. theta energy: -195.302 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: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2187.265487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.265487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.265487 (E_RNA) where: Base-Base interactions energy: -1501.473 where: short stacking energy: -647.902 Base-Backbone interact. energy: -0.667 local terms energy: -685.125560 where: bonds (distance) C4'-P energy: -120.385 bonds (distance) P-C4' energy: -130.134 flat angles C4'-P-C4' energy: -140.691 flat angles P-C4'-P energy: -92.724 tors. eta vs tors. theta energy: -201.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2080.922827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.922827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.922827 (E_RNA) where: Base-Base interactions energy: -1437.168 where: short stacking energy: -617.208 Base-Backbone interact. energy: -1.294 local terms energy: -642.461033 where: bonds (distance) C4'-P energy: -102.239 bonds (distance) P-C4' energy: -110.344 flat angles C4'-P-C4' energy: -143.611 flat angles P-C4'-P energy: -92.599 tors. eta vs tors. theta energy: -193.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1839.752589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.752589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.752589 (E_RNA) where: Base-Base interactions energy: -1240.387 where: short stacking energy: -535.071 Base-Backbone interact. energy: -2.847 local terms energy: -596.517867 where: bonds (distance) C4'-P energy: -117.873 bonds (distance) P-C4' energy: -114.940 flat angles C4'-P-C4' energy: -136.659 flat angles P-C4'-P energy: -74.752 tors. eta vs tors. theta energy: -152.294 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: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1844.154943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.154943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.154943 (E_RNA) where: Base-Base interactions energy: -1264.855 where: short stacking energy: -560.560 Base-Backbone interact. energy: -3.334 local terms energy: -575.965931 where: bonds (distance) C4'-P energy: -100.603 bonds (distance) P-C4' energy: -125.979 flat angles C4'-P-C4' energy: -119.075 flat angles P-C4'-P energy: -64.115 tors. eta vs tors. theta energy: -166.194 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: 6, replica: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1417.952210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.952210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.952210 (E_RNA) where: Base-Base interactions energy: -910.400 where: short stacking energy: -431.561 Base-Backbone interact. energy: 2.573 local terms energy: -510.124744 where: bonds (distance) C4'-P energy: -87.269 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -110.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1242.050958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.050958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.050958 (E_RNA) where: Base-Base interactions energy: -770.365 where: short stacking energy: -344.150 Base-Backbone interact. energy: -3.641 local terms energy: -468.044277 where: bonds (distance) C4'-P energy: -95.718 bonds (distance) P-C4' energy: -114.793 flat angles C4'-P-C4' energy: -111.810 flat angles P-C4'-P energy: -69.035 tors. eta vs tors. theta energy: -76.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -945.475206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.475206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.475206 (E_RNA) where: Base-Base interactions energy: -523.465 where: short stacking energy: -274.754 Base-Backbone interact. energy: -3.305 local terms energy: -418.704313 where: bonds (distance) C4'-P energy: -113.757 bonds (distance) P-C4' energy: -116.744 flat angles C4'-P-C4' energy: -84.204 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: -28.499 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: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -729.940711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.940711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.940711 (E_RNA) where: Base-Base interactions energy: -347.865 where: short stacking energy: -205.246 Base-Backbone interact. energy: -1.332 local terms energy: -380.743234 where: bonds (distance) C4'-P energy: -110.567 bonds (distance) P-C4' energy: -100.600 flat angles C4'-P-C4' energy: -86.780 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -13.088 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: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -606.675499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.675499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.675499 (E_RNA) where: Base-Base interactions energy: -300.478 where: short stacking energy: -189.518 Base-Backbone interact. energy: 3.205 local terms energy: -309.402670 where: bonds (distance) C4'-P energy: -90.159 bonds (distance) P-C4' energy: -93.547 flat angles C4'-P-C4' energy: -78.684 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: 4.006 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: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2191.227281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.227281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.227281 (E_RNA) where: Base-Base interactions energy: -1528.197 where: short stacking energy: -642.826 Base-Backbone interact. energy: 0.701 local terms energy: -663.731425 where: bonds (distance) C4'-P energy: -117.447 bonds (distance) P-C4' energy: -119.198 flat angles C4'-P-C4' energy: -147.076 flat angles P-C4'-P energy: -100.024 tors. eta vs tors. theta energy: -179.988 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: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2184.677071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.677071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.677071 (E_RNA) where: Base-Base interactions energy: -1486.195 where: short stacking energy: -647.985 Base-Backbone interact. energy: 1.396 local terms energy: -699.878583 where: bonds (distance) C4'-P energy: -129.055 bonds (distance) P-C4' energy: -129.062 flat angles C4'-P-C4' energy: -148.489 flat angles P-C4'-P energy: -89.946 tors. eta vs tors. theta energy: -203.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2034.253763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.253763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.253763 (E_RNA) where: Base-Base interactions energy: -1395.698 where: short stacking energy: -628.449 Base-Backbone interact. energy: -2.386 local terms energy: -636.169422 where: bonds (distance) C4'-P energy: -108.963 bonds (distance) P-C4' energy: -114.441 flat angles C4'-P-C4' energy: -137.990 flat angles P-C4'-P energy: -87.375 tors. eta vs tors. theta energy: -187.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1844.607920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.607920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.607920 (E_RNA) where: Base-Base interactions energy: -1270.057 where: short stacking energy: -556.961 Base-Backbone interact. energy: -2.186 local terms energy: -572.364054 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -122.886 flat angles P-C4'-P energy: -78.968 tors. eta vs tors. theta energy: -153.552 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: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1831.117981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.117981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.117981 (E_RNA) where: Base-Base interactions energy: -1251.509 where: short stacking energy: -541.794 Base-Backbone interact. energy: 2.526 local terms energy: -582.134446 where: bonds (distance) C4'-P energy: -100.076 bonds (distance) P-C4' energy: -117.368 flat angles C4'-P-C4' energy: -136.685 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: -142.915 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: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1386.005059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.005059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.005059 (E_RNA) where: Base-Base interactions energy: -911.568 where: short stacking energy: -416.847 Base-Backbone interact. energy: 1.744 local terms energy: -476.181034 where: bonds (distance) C4'-P energy: -93.894 bonds (distance) P-C4' energy: -105.055 flat angles C4'-P-C4' energy: -116.713 flat angles P-C4'-P energy: -63.989 tors. eta vs tors. theta energy: -96.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1222.598593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.598593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.598593 (E_RNA) where: Base-Base interactions energy: -754.048 where: short stacking energy: -376.499 Base-Backbone interact. energy: 0.644 local terms energy: -469.194316 where: bonds (distance) C4'-P energy: -96.109 bonds (distance) P-C4' energy: -109.747 flat angles C4'-P-C4' energy: -106.067 flat angles P-C4'-P energy: -83.783 tors. eta vs tors. theta energy: -73.489 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: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -917.609135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.609135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.609135 (E_RNA) where: Base-Base interactions energy: -508.937 where: short stacking energy: -272.825 Base-Backbone interact. energy: -2.442 local terms energy: -406.230842 where: bonds (distance) C4'-P energy: -97.783 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -40.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -737.357162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.357162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.357162 (E_RNA) where: Base-Base interactions energy: -396.230 where: short stacking energy: -237.625 Base-Backbone interact. energy: -0.066 local terms energy: -341.060672 where: bonds (distance) C4'-P energy: -97.930 bonds (distance) P-C4' energy: -110.520 flat angles C4'-P-C4' energy: -74.658 flat angles P-C4'-P energy: -55.316 tors. eta vs tors. theta energy: -2.636 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: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -646.475443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.475443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.475443 (E_RNA) where: Base-Base interactions energy: -294.477 where: short stacking energy: -203.646 Base-Backbone interact. energy: 0.534 local terms energy: -352.532796 where: bonds (distance) C4'-P energy: -82.007 bonds (distance) P-C4' energy: -115.784 flat angles C4'-P-C4' energy: -86.115 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -16.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2204.706802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.706802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.706802 (E_RNA) where: Base-Base interactions energy: -1521.133 where: short stacking energy: -652.606 Base-Backbone interact. energy: -2.489 local terms energy: -681.084780 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -133.951 flat angles C4'-P-C4' energy: -145.180 flat angles P-C4'-P energy: -89.739 tors. eta vs tors. theta energy: -189.859 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: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2159.789422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.789422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.789422 (E_RNA) where: Base-Base interactions energy: -1483.403 where: short stacking energy: -644.884 Base-Backbone interact. energy: -1.945 local terms energy: -674.441699 where: bonds (distance) C4'-P energy: -118.435 bonds (distance) P-C4' energy: -124.360 flat angles C4'-P-C4' energy: -137.993 flat angles P-C4'-P energy: -91.694 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: 3, replica: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2039.219247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.219247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.219247 (E_RNA) where: Base-Base interactions energy: -1387.113 where: short stacking energy: -606.037 Base-Backbone interact. energy: 1.829 local terms energy: -653.935391 where: bonds (distance) C4'-P energy: -115.912 bonds (distance) P-C4' energy: -117.346 flat angles C4'-P-C4' energy: -142.424 flat angles P-C4'-P energy: -85.524 tors. eta vs tors. theta energy: -192.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1903.179834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.179834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.179834 (E_RNA) where: Base-Base interactions energy: -1280.979 where: short stacking energy: -552.131 Base-Backbone interact. energy: -0.978 local terms energy: -621.222829 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -116.192 flat angles C4'-P-C4' energy: -140.923 flat angles P-C4'-P energy: -82.347 tors. eta vs tors. theta energy: -168.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1835.554217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.554217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.554217 (E_RNA) where: Base-Base interactions energy: -1231.397 where: short stacking energy: -517.373 Base-Backbone interact. energy: -0.363 local terms energy: -603.793705 where: bonds (distance) C4'-P energy: -114.900 bonds (distance) P-C4' energy: -118.496 flat angles C4'-P-C4' energy: -126.743 flat angles P-C4'-P energy: -93.569 tors. eta vs tors. theta energy: -150.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1386.029298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.029298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.029298 (E_RNA) where: Base-Base interactions energy: -894.870 where: short stacking energy: -395.180 Base-Backbone interact. energy: -1.098 local terms energy: -490.061572 where: bonds (distance) C4'-P energy: -110.759 bonds (distance) P-C4' energy: -115.109 flat angles C4'-P-C4' energy: -112.833 flat angles P-C4'-P energy: -69.524 tors. eta vs tors. theta energy: -81.837 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: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1204.969950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.969950 (E_RNA) where: Base-Base interactions energy: -787.152 where: short stacking energy: -382.537 Base-Backbone interact. energy: 2.283 local terms energy: -420.101220 where: bonds (distance) C4'-P energy: -96.221 bonds (distance) P-C4' energy: -99.128 flat angles C4'-P-C4' energy: -102.858 flat angles P-C4'-P energy: -56.448 tors. eta vs tors. theta energy: -65.447 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: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1012.271133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.271133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.271133 (E_RNA) where: Base-Base interactions energy: -549.600 where: short stacking energy: -296.993 Base-Backbone interact. energy: -3.246 local terms energy: -459.425412 where: bonds (distance) C4'-P energy: -105.683 bonds (distance) P-C4' energy: -124.439 flat angles C4'-P-C4' energy: -101.535 flat angles P-C4'-P energy: -74.103 tors. eta vs tors. theta energy: -53.665 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: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -697.322467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.322467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.322467 (E_RNA) where: Base-Base interactions energy: -328.790 where: short stacking energy: -202.790 Base-Backbone interact. energy: -2.194 local terms energy: -366.338644 where: bonds (distance) C4'-P energy: -100.626 bonds (distance) P-C4' energy: -126.719 flat angles C4'-P-C4' energy: -92.477 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -689.191210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.191210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.191210 (E_RNA) where: Base-Base interactions energy: -336.375 where: short stacking energy: -160.540 Base-Backbone interact. energy: -3.175 local terms energy: -349.640664 where: bonds (distance) C4'-P energy: -93.783 bonds (distance) P-C4' energy: -109.636 flat angles C4'-P-C4' energy: -101.822 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: 8.519 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: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2234.559403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.559403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.559403 (E_RNA) where: Base-Base interactions energy: -1536.024 where: short stacking energy: -636.084 Base-Backbone interact. energy: -3.614 local terms energy: -694.920977 where: bonds (distance) C4'-P energy: -121.603 bonds (distance) P-C4' energy: -135.369 flat angles C4'-P-C4' energy: -144.523 flat angles P-C4'-P energy: -105.253 tors. eta vs tors. theta energy: -188.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2153.227878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.227878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.227878 (E_RNA) where: Base-Base interactions energy: -1492.329 where: short stacking energy: -656.273 Base-Backbone interact. energy: -0.464 local terms energy: -660.435132 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -108.079 flat angles C4'-P-C4' energy: -132.327 flat angles P-C4'-P energy: -101.958 tors. eta vs tors. theta energy: -199.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2043.352053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.352053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.352053 (E_RNA) where: Base-Base interactions energy: -1395.762 where: short stacking energy: -599.536 Base-Backbone interact. energy: -5.261 local terms energy: -642.329280 where: bonds (distance) C4'-P energy: -109.896 bonds (distance) P-C4' energy: -128.589 flat angles C4'-P-C4' energy: -133.303 flat angles P-C4'-P energy: -94.723 tors. eta vs tors. theta energy: -175.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1916.680637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.680637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.680637 (E_RNA) where: Base-Base interactions energy: -1321.128 where: short stacking energy: -551.194 Base-Backbone interact. energy: -3.827 local terms energy: -591.725499 where: bonds (distance) C4'-P energy: -130.175 bonds (distance) P-C4' energy: -116.880 flat angles C4'-P-C4' energy: -122.228 flat angles P-C4'-P energy: -84.252 tors. eta vs tors. theta energy: -138.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1823.766751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.766751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.766751 (E_RNA) where: Base-Base interactions energy: -1246.791 where: short stacking energy: -541.193 Base-Backbone interact. energy: 0.425 local terms energy: -577.400745 where: bonds (distance) C4'-P energy: -114.591 bonds (distance) P-C4' energy: -116.663 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -81.257 tors. eta vs tors. theta energy: -139.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1426.135878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.135878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.135878 (E_RNA) where: Base-Base interactions energy: -926.547 where: short stacking energy: -407.720 Base-Backbone interact. energy: -0.045 local terms energy: -499.544787 where: bonds (distance) C4'-P energy: -109.908 bonds (distance) P-C4' energy: -113.458 flat angles C4'-P-C4' energy: -112.351 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: -90.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1238.542858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.542858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.542858 (E_RNA) where: Base-Base interactions energy: -732.033 where: short stacking energy: -371.763 Base-Backbone interact. energy: 6.162 local terms energy: -512.671952 where: bonds (distance) C4'-P energy: -129.791 bonds (distance) P-C4' energy: -109.148 flat angles C4'-P-C4' energy: -122.110 flat angles P-C4'-P energy: -72.854 tors. eta vs tors. theta energy: -78.770 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: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1011.751600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.751600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.751600 (E_RNA) where: Base-Base interactions energy: -601.495 where: short stacking energy: -302.733 Base-Backbone interact. energy: -0.619 local terms energy: -409.636916 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -96.507 flat angles C4'-P-C4' energy: -119.262 flat angles P-C4'-P energy: -57.724 tors. eta vs tors. theta energy: -42.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -678.754277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.754277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.754277 (E_RNA) where: Base-Base interactions energy: -319.151 where: short stacking energy: -178.765 Base-Backbone interact. energy: 0.821 local terms energy: -360.423882 where: bonds (distance) C4'-P energy: -88.814 bonds (distance) P-C4' energy: -115.309 flat angles C4'-P-C4' energy: -94.771 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: 5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -680.675920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.675920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.675920 (E_RNA) where: Base-Base interactions energy: -332.372 where: short stacking energy: -188.792 Base-Backbone interact. energy: 2.032 local terms energy: -350.335474 where: bonds (distance) C4'-P energy: -99.230 bonds (distance) P-C4' energy: -115.799 flat angles C4'-P-C4' energy: -82.693 flat angles P-C4'-P energy: -55.154 tors. eta vs tors. theta energy: 2.541 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: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2236.586794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.586794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.586794 (E_RNA) where: Base-Base interactions energy: -1568.025 where: short stacking energy: -649.468 Base-Backbone interact. energy: -0.310 local terms energy: -668.251652 where: bonds (distance) C4'-P energy: -117.748 bonds (distance) P-C4' energy: -117.014 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -97.563 tors. eta vs tors. theta energy: -191.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2176.193493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.193493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.193493 (E_RNA) where: Base-Base interactions energy: -1489.739 where: short stacking energy: -664.452 Base-Backbone interact. energy: 1.247 local terms energy: -687.702052 where: bonds (distance) C4'-P energy: -120.893 bonds (distance) P-C4' energy: -130.520 flat angles C4'-P-C4' energy: -146.173 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -197.890 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: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2066.258346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.258346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.258346 (E_RNA) where: Base-Base interactions energy: -1442.453 where: short stacking energy: -599.679 Base-Backbone interact. energy: 0.030 local terms energy: -623.835903 where: bonds (distance) C4'-P energy: -104.483 bonds (distance) P-C4' energy: -122.455 flat angles C4'-P-C4' energy: -128.799 flat angles P-C4'-P energy: -88.394 tors. eta vs tors. theta energy: -179.705 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: 1 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1863.533590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.533590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.533590 (E_RNA) where: Base-Base interactions energy: -1257.185 where: short stacking energy: -563.410 Base-Backbone interact. energy: -1.494 local terms energy: -604.854303 where: bonds (distance) C4'-P energy: -117.395 bonds (distance) P-C4' energy: -108.506 flat angles C4'-P-C4' energy: -128.928 flat angles P-C4'-P energy: -86.934 tors. eta vs tors. theta energy: -163.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1807.068270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.068270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.068270 (E_RNA) where: Base-Base interactions energy: -1244.194 where: short stacking energy: -538.974 Base-Backbone interact. energy: -3.793 local terms energy: -559.081189 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -117.843 flat angles C4'-P-C4' energy: -120.698 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -143.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1389.170265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.170265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.170265 (E_RNA) where: Base-Base interactions energy: -891.360 where: short stacking energy: -395.051 Base-Backbone interact. energy: -3.460 local terms energy: -494.350177 where: bonds (distance) C4'-P energy: -107.372 bonds (distance) P-C4' energy: -120.815 flat angles C4'-P-C4' energy: -113.600 flat angles P-C4'-P energy: -61.919 tors. eta vs tors. theta energy: -90.644 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: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1155.153398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.153398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.153398 (E_RNA) where: Base-Base interactions energy: -700.315 where: short stacking energy: -347.411 Base-Backbone interact. energy: 0.701 local terms energy: -455.539272 where: bonds (distance) C4'-P energy: -108.973 bonds (distance) P-C4' energy: -119.166 flat angles C4'-P-C4' energy: -112.226 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -65.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1001.851212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.851212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.851212 (E_RNA) where: Base-Base interactions energy: -580.526 where: short stacking energy: -292.132 Base-Backbone interact. energy: 0.666 local terms energy: -421.991172 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -107.039 flat angles C4'-P-C4' energy: -103.301 flat angles P-C4'-P energy: -65.234 tors. eta vs tors. theta energy: -41.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -671.622354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.622354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.622354 (E_RNA) where: Base-Base interactions energy: -320.159 where: short stacking energy: -187.832 Base-Backbone interact. energy: 1.150 local terms energy: -352.613677 where: bonds (distance) C4'-P energy: -99.183 bonds (distance) P-C4' energy: -115.693 flat angles C4'-P-C4' energy: -98.586 flat angles P-C4'-P energy: -56.230 tors. eta vs tors. theta energy: 17.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -686.495204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.495204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.495204 (E_RNA) where: Base-Base interactions energy: -353.607 where: short stacking energy: -220.735 Base-Backbone interact. energy: 8.217 local terms energy: -341.105029 where: bonds (distance) C4'-P energy: -100.161 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -93.083 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -8.002 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: 456 Temperature: 0.900000 Total energy: -2244.177816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.177816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.177816 (E_RNA) where: Base-Base interactions energy: -1560.447 where: short stacking energy: -664.170 Base-Backbone interact. energy: -2.810 local terms energy: -680.920543 where: bonds (distance) C4'-P energy: -130.930 bonds (distance) P-C4' energy: -122.727 flat angles C4'-P-C4' energy: -143.908 flat angles P-C4'-P energy: -82.146 tors. eta vs tors. theta energy: -201.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2186.474021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.474021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.474021 (E_RNA) where: Base-Base interactions energy: -1521.845 where: short stacking energy: -658.100 Base-Backbone interact. energy: -4.371 local terms energy: -660.257313 where: bonds (distance) C4'-P energy: -120.051 bonds (distance) P-C4' energy: -102.688 flat angles C4'-P-C4' energy: -143.891 flat angles P-C4'-P energy: -85.505 tors. eta vs tors. theta energy: -208.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2036.512068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.512068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.512068 (E_RNA) where: Base-Base interactions energy: -1403.667 where: short stacking energy: -595.698 Base-Backbone interact. energy: -5.462 local terms energy: -627.383758 where: bonds (distance) C4'-P energy: -117.019 bonds (distance) P-C4' energy: -114.249 flat angles C4'-P-C4' energy: -131.093 flat angles P-C4'-P energy: -88.561 tors. eta vs tors. theta energy: -176.461 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: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1922.540701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.540701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.540701 (E_RNA) where: Base-Base interactions energy: -1295.892 where: short stacking energy: -552.477 Base-Backbone interact. energy: -2.989 local terms energy: -623.659252 where: bonds (distance) C4'-P energy: -114.827 bonds (distance) P-C4' energy: -135.266 flat angles C4'-P-C4' energy: -123.349 flat angles P-C4'-P energy: -87.269 tors. eta vs tors. theta energy: -162.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1852.884791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.884791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.884791 (E_RNA) where: Base-Base interactions energy: -1269.531 where: short stacking energy: -538.355 Base-Backbone interact. energy: 1.229 local terms energy: -584.583058 where: bonds (distance) C4'-P energy: -106.677 bonds (distance) P-C4' energy: -119.977 flat angles C4'-P-C4' energy: -132.475 flat angles P-C4'-P energy: -86.405 tors. eta vs tors. theta energy: -139.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1445.352851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.352851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.352851 (E_RNA) where: Base-Base interactions energy: -945.120 where: short stacking energy: -433.960 Base-Backbone interact. energy: -2.146 local terms energy: -498.086030 where: bonds (distance) C4'-P energy: -95.199 bonds (distance) P-C4' energy: -113.340 flat angles C4'-P-C4' energy: -109.452 flat angles P-C4'-P energy: -79.662 tors. eta vs tors. theta energy: -100.433 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1147.184292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.184292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.184292 (E_RNA) where: Base-Base interactions energy: -663.764 where: short stacking energy: -312.189 Base-Backbone interact. energy: -2.227 local terms energy: -481.193577 where: bonds (distance) C4'-P energy: -113.074 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -81.539 tors. eta vs tors. theta energy: -57.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -967.520601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.520601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.520601 (E_RNA) where: Base-Base interactions energy: -572.976 where: short stacking energy: -280.246 Base-Backbone interact. energy: 5.337 local terms energy: -399.881796 where: bonds (distance) C4'-P energy: -86.494 bonds (distance) P-C4' energy: -117.195 flat angles C4'-P-C4' energy: -103.581 flat angles P-C4'-P energy: -56.448 tors. eta vs tors. theta energy: -36.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -668.894222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.894222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.894222 (E_RNA) where: Base-Base interactions energy: -340.196 where: short stacking energy: -212.244 Base-Backbone interact. energy: -2.220 local terms energy: -326.478070 where: bonds (distance) C4'-P energy: -88.091 bonds (distance) P-C4' energy: -99.331 flat angles C4'-P-C4' energy: -81.496 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -1.012 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: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -659.440520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.440520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.440520 (E_RNA) where: Base-Base interactions energy: -330.915 where: short stacking energy: -179.417 Base-Backbone interact. energy: -0.727 local terms energy: -327.798663 where: bonds (distance) C4'-P energy: -91.561 bonds (distance) P-C4' energy: -98.767 flat angles C4'-P-C4' energy: -101.501 flat angles P-C4'-P energy: -42.700 tors. eta vs tors. theta energy: 6.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2254.912601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.912601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.912601 (E_RNA) where: Base-Base interactions energy: -1568.313 where: short stacking energy: -676.312 Base-Backbone interact. energy: 0.573 local terms energy: -687.172265 where: bonds (distance) C4'-P energy: -114.942 bonds (distance) P-C4' energy: -129.589 flat angles C4'-P-C4' energy: -153.863 flat angles P-C4'-P energy: -97.174 tors. eta vs tors. theta energy: -191.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2180.172847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.172847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.172847 (E_RNA) where: Base-Base interactions energy: -1486.060 where: short stacking energy: -651.475 Base-Backbone interact. energy: -1.608 local terms energy: -692.505073 where: bonds (distance) C4'-P energy: -124.722 bonds (distance) P-C4' energy: -121.089 flat angles C4'-P-C4' energy: -142.792 flat angles P-C4'-P energy: -107.856 tors. eta vs tors. theta energy: -196.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2049.719072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.719072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.719072 (E_RNA) where: Base-Base interactions energy: -1398.683 where: short stacking energy: -620.375 Base-Backbone interact. energy: -0.726 local terms energy: -650.310259 where: bonds (distance) C4'-P energy: -117.210 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -146.396 flat angles P-C4'-P energy: -83.638 tors. eta vs tors. theta energy: -181.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1885.820047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.820047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.820047 (E_RNA) where: Base-Base interactions energy: -1266.479 where: short stacking energy: -548.464 Base-Backbone interact. energy: -3.459 local terms energy: -615.882190 where: bonds (distance) C4'-P energy: -127.207 bonds (distance) P-C4' energy: -115.397 flat angles C4'-P-C4' energy: -141.554 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: -157.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1791.616033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.616033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.616033 (E_RNA) where: Base-Base interactions energy: -1209.511 where: short stacking energy: -532.940 Base-Backbone interact. energy: -4.323 local terms energy: -577.782362 where: bonds (distance) C4'-P energy: -120.349 bonds (distance) P-C4' energy: -121.472 flat angles C4'-P-C4' energy: -125.070 flat angles P-C4'-P energy: -72.734 tors. eta vs tors. theta energy: -138.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1450.103882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.103882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.103882 (E_RNA) where: Base-Base interactions energy: -931.393 where: short stacking energy: -420.081 Base-Backbone interact. energy: -3.375 local terms energy: -515.335685 where: bonds (distance) C4'-P energy: -102.052 bonds (distance) P-C4' energy: -104.869 flat angles C4'-P-C4' energy: -121.585 flat angles P-C4'-P energy: -82.797 tors. eta vs tors. theta energy: -104.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1147.236530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.236530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.236530 (E_RNA) where: Base-Base interactions energy: -688.913 where: short stacking energy: -354.675 Base-Backbone interact. energy: 2.352 local terms energy: -460.675599 where: bonds (distance) C4'-P energy: -98.666 bonds (distance) P-C4' energy: -127.183 flat angles C4'-P-C4' energy: -110.303 flat angles P-C4'-P energy: -73.349 tors. eta vs tors. theta energy: -51.175 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: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -981.136885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.136885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.136885 (E_RNA) where: Base-Base interactions energy: -580.365 where: short stacking energy: -292.489 Base-Backbone interact. energy: -3.279 local terms energy: -397.492936 where: bonds (distance) C4'-P energy: -93.239 bonds (distance) P-C4' energy: -103.040 flat angles C4'-P-C4' energy: -102.009 flat angles P-C4'-P energy: -66.893 tors. eta vs tors. theta energy: -32.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -655.834784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.834784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.834784 (E_RNA) where: Base-Base interactions energy: -308.118 where: short stacking energy: -210.918 Base-Backbone interact. energy: 1.666 local terms energy: -349.382584 where: bonds (distance) C4'-P energy: -96.165 bonds (distance) P-C4' energy: -96.939 flat angles C4'-P-C4' energy: -100.029 flat angles P-C4'-P energy: -44.983 tors. eta vs tors. theta energy: -11.267 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: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -673.771040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.771040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.771040 (E_RNA) where: Base-Base interactions energy: -331.064 where: short stacking energy: -169.169 Base-Backbone interact. energy: -1.194 local terms energy: -341.512431 where: bonds (distance) C4'-P energy: -98.920 bonds (distance) P-C4' energy: -110.786 flat angles C4'-P-C4' energy: -93.865 flat angles P-C4'-P energy: -45.829 tors. eta vs tors. theta energy: 7.888 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: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2246.784721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.784721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.784721 (E_RNA) where: Base-Base interactions energy: -1503.616 where: short stacking energy: -666.483 Base-Backbone interact. energy: -3.704 local terms energy: -739.464744 where: bonds (distance) C4'-P energy: -138.572 bonds (distance) P-C4' energy: -134.545 flat angles C4'-P-C4' energy: -156.389 flat angles P-C4'-P energy: -104.352 tors. eta vs tors. theta energy: -205.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2180.910326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.910326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.910326 (E_RNA) where: Base-Base interactions energy: -1518.085 where: short stacking energy: -627.276 Base-Backbone interact. energy: -1.019 local terms energy: -661.806726 where: bonds (distance) C4'-P energy: -111.783 bonds (distance) P-C4' energy: -133.343 flat angles C4'-P-C4' energy: -131.165 flat angles P-C4'-P energy: -91.825 tors. eta vs tors. theta energy: -193.690 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: 3, replica: 6 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2061.877610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.877610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.877610 (E_RNA) where: Base-Base interactions energy: -1410.314 where: short stacking energy: -631.677 Base-Backbone interact. energy: 1.999 local terms energy: -653.563174 where: bonds (distance) C4'-P energy: -119.932 bonds (distance) P-C4' energy: -106.554 flat angles C4'-P-C4' energy: -142.295 flat angles P-C4'-P energy: -96.548 tors. eta vs tors. theta energy: -188.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1918.804648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.804648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.804648 (E_RNA) where: Base-Base interactions energy: -1289.760 where: short stacking energy: -579.637 Base-Backbone interact. energy: -2.203 local terms energy: -626.842059 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -112.761 flat angles C4'-P-C4' energy: -138.096 flat angles P-C4'-P energy: -81.392 tors. eta vs tors. theta energy: -170.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1818.482533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.482533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.482533 (E_RNA) where: Base-Base interactions energy: -1237.243 where: short stacking energy: -581.012 Base-Backbone interact. energy: 1.998 local terms energy: -583.237455 where: bonds (distance) C4'-P energy: -104.076 bonds (distance) P-C4' energy: -108.456 flat angles C4'-P-C4' energy: -118.875 flat angles P-C4'-P energy: -80.795 tors. eta vs tors. theta energy: -171.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1434.101425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.101425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.101425 (E_RNA) where: Base-Base interactions energy: -937.631 where: short stacking energy: -417.264 Base-Backbone interact. energy: -3.080 local terms energy: -493.389906 where: bonds (distance) C4'-P energy: -103.381 bonds (distance) P-C4' energy: -107.693 flat angles C4'-P-C4' energy: -127.023 flat angles P-C4'-P energy: -67.578 tors. eta vs tors. theta energy: -87.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1126.894847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.894847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.894847 (E_RNA) where: Base-Base interactions energy: -675.339 where: short stacking energy: -337.208 Base-Backbone interact. energy: -2.055 local terms energy: -449.500245 where: bonds (distance) C4'-P energy: -99.037 bonds (distance) P-C4' energy: -109.851 flat angles C4'-P-C4' energy: -107.294 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: -59.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -893.630049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.630049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.630049 (E_RNA) where: Base-Base interactions energy: -492.597 where: short stacking energy: -248.726 Base-Backbone interact. energy: 2.065 local terms energy: -403.097666 where: bonds (distance) C4'-P energy: -105.449 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -99.664 flat angles P-C4'-P energy: -60.341 tors. eta vs tors. theta energy: -20.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -719.474636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.474636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.474636 (E_RNA) where: Base-Base interactions energy: -373.886 where: short stacking energy: -203.398 Base-Backbone interact. energy: 6.949 local terms energy: -352.538323 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -105.379 flat angles C4'-P-C4' energy: -99.223 flat angles P-C4'-P energy: -62.245 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: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -606.823930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.823930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.823930 (E_RNA) where: Base-Base interactions energy: -263.832 where: short stacking energy: -160.826 Base-Backbone interact. energy: 1.425 local terms energy: -344.416057 where: bonds (distance) C4'-P energy: -102.356 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -96.660 flat angles P-C4'-P energy: -55.848 tors. eta vs tors. theta energy: 28.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2251.867990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.867990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.867990 (E_RNA) where: Base-Base interactions energy: -1544.644 where: short stacking energy: -675.290 Base-Backbone interact. energy: -2.451 local terms energy: -704.772312 where: bonds (distance) C4'-P energy: -117.623 bonds (distance) P-C4' energy: -142.313 flat angles C4'-P-C4' energy: -141.063 flat angles P-C4'-P energy: -96.154 tors. eta vs tors. theta energy: -207.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2194.593955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.593955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.593955 (E_RNA) where: Base-Base interactions energy: -1519.211 where: short stacking energy: -648.462 Base-Backbone interact. energy: -3.075 local terms energy: -672.308395 where: bonds (distance) C4'-P energy: -115.210 bonds (distance) P-C4' energy: -130.660 flat angles C4'-P-C4' energy: -135.939 flat angles P-C4'-P energy: -92.232 tors. eta vs tors. theta energy: -198.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2042.740020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.740020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.740020 (E_RNA) where: Base-Base interactions energy: -1384.212 where: short stacking energy: -579.113 Base-Backbone interact. energy: -2.456 local terms energy: -656.072226 where: bonds (distance) C4'-P energy: -121.967 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -137.761 flat angles P-C4'-P energy: -85.694 tors. eta vs tors. theta energy: -184.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1907.162394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.162394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.162394 (E_RNA) where: Base-Base interactions energy: -1300.134 where: short stacking energy: -564.515 Base-Backbone interact. energy: -2.712 local terms energy: -604.316342 where: bonds (distance) C4'-P energy: -108.058 bonds (distance) P-C4' energy: -112.325 flat angles C4'-P-C4' energy: -143.595 flat angles P-C4'-P energy: -70.831 tors. eta vs tors. theta energy: -169.509 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: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1787.042046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.042046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.042046 (E_RNA) where: Base-Base interactions energy: -1207.029 where: short stacking energy: -516.321 Base-Backbone interact. energy: -2.726 local terms energy: -577.287164 where: bonds (distance) C4'-P energy: -121.415 bonds (distance) P-C4' energy: -128.966 flat angles C4'-P-C4' energy: -124.865 flat angles P-C4'-P energy: -74.123 tors. eta vs tors. theta energy: -127.918 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: 6, replica: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1395.003433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.003433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.003433 (E_RNA) where: Base-Base interactions energy: -902.613 where: short stacking energy: -412.250 Base-Backbone interact. energy: -1.946 local terms energy: -490.444181 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -111.166 flat angles C4'-P-C4' energy: -113.885 flat angles P-C4'-P energy: -68.191 tors. eta vs tors. theta energy: -92.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1245.361638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.361638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.361638 (E_RNA) where: Base-Base interactions energy: -782.467 where: short stacking energy: -385.374 Base-Backbone interact. energy: -2.100 local terms energy: -460.795428 where: bonds (distance) C4'-P energy: -95.775 bonds (distance) P-C4' energy: -115.337 flat angles C4'-P-C4' energy: -110.036 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -73.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -914.667449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.667449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.667449 (E_RNA) where: Base-Base interactions energy: -481.583 where: short stacking energy: -273.806 Base-Backbone interact. energy: -1.821 local terms energy: -431.263615 where: bonds (distance) C4'-P energy: -95.819 bonds (distance) P-C4' energy: -121.172 flat angles C4'-P-C4' energy: -108.013 flat angles P-C4'-P energy: -70.786 tors. eta vs tors. theta energy: -35.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -758.823449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.823449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.823449 (E_RNA) where: Base-Base interactions energy: -389.102 where: short stacking energy: -225.897 Base-Backbone interact. energy: 0.448 local terms energy: -370.168728 where: bonds (distance) C4'-P energy: -100.882 bonds (distance) P-C4' energy: -96.927 flat angles C4'-P-C4' energy: -91.284 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -607.903630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.903630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.903630 (E_RNA) where: Base-Base interactions energy: -265.431 where: short stacking energy: -186.949 Base-Backbone interact. energy: 0.580 local terms energy: -343.052904 where: bonds (distance) C4'-P energy: -110.020 bonds (distance) P-C4' energy: -96.769 flat angles C4'-P-C4' energy: -87.013 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: 7.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2226.865828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.865828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.865828 (E_RNA) where: Base-Base interactions energy: -1513.379 where: short stacking energy: -655.257 Base-Backbone interact. energy: -3.396 local terms energy: -710.090896 where: bonds (distance) C4'-P energy: -137.267 bonds (distance) P-C4' energy: -123.681 flat angles C4'-P-C4' energy: -145.823 flat angles P-C4'-P energy: -101.309 tors. eta vs tors. theta energy: -202.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2190.445718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.445718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.445718 (E_RNA) where: Base-Base interactions energy: -1529.247 where: short stacking energy: -620.029 Base-Backbone interact. energy: 3.731 local terms energy: -664.929293 where: bonds (distance) C4'-P energy: -123.110 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -137.657 flat angles P-C4'-P energy: -87.792 tors. eta vs tors. theta energy: -192.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2076.630420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.630420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.630420 (E_RNA) where: Base-Base interactions energy: -1430.016 where: short stacking energy: -608.915 Base-Backbone interact. energy: -2.016 local terms energy: -644.598022 where: bonds (distance) C4'-P energy: -133.046 bonds (distance) P-C4' energy: -107.269 flat angles C4'-P-C4' energy: -136.993 flat angles P-C4'-P energy: -91.711 tors. eta vs tors. theta energy: -175.580 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: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1876.710914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.710914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.710914 (E_RNA) where: Base-Base interactions energy: -1265.176 where: short stacking energy: -537.087 Base-Backbone interact. energy: -1.736 local terms energy: -609.798917 where: bonds (distance) C4'-P energy: -112.915 bonds (distance) P-C4' energy: -128.946 flat angles C4'-P-C4' energy: -128.100 flat angles P-C4'-P energy: -73.069 tors. eta vs tors. theta energy: -166.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1799.572573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.572573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.572573 (E_RNA) where: Base-Base interactions energy: -1230.297 where: short stacking energy: -535.569 Base-Backbone interact. energy: -1.245 local terms energy: -568.030670 where: bonds (distance) C4'-P energy: -94.393 bonds (distance) P-C4' energy: -114.572 flat angles C4'-P-C4' energy: -126.439 flat angles P-C4'-P energy: -91.322 tors. eta vs tors. theta energy: -141.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1466.628964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.628964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.628964 (E_RNA) where: Base-Base interactions energy: -954.633 where: short stacking energy: -440.046 Base-Backbone interact. energy: 0.285 local terms energy: -512.281090 where: bonds (distance) C4'-P energy: -116.005 bonds (distance) P-C4' energy: -97.786 flat angles C4'-P-C4' energy: -114.831 flat angles P-C4'-P energy: -76.096 tors. eta vs tors. theta energy: -107.562 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: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1258.049154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.049154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.049154 (E_RNA) where: Base-Base interactions energy: -792.917 where: short stacking energy: -398.747 Base-Backbone interact. energy: -2.748 local terms energy: -462.384015 where: bonds (distance) C4'-P energy: -119.206 bonds (distance) P-C4' energy: -104.335 flat angles C4'-P-C4' energy: -93.698 flat angles P-C4'-P energy: -63.950 tors. eta vs tors. theta energy: -81.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -858.209872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.209872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.209872 (E_RNA) where: Base-Base interactions energy: -500.766 where: short stacking energy: -260.228 Base-Backbone interact. energy: -0.190 local terms energy: -357.254312 where: bonds (distance) C4'-P energy: -79.856 bonds (distance) P-C4' energy: -96.670 flat angles C4'-P-C4' energy: -100.076 flat angles P-C4'-P energy: -62.909 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -736.053553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.053553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.053553 (E_RNA) where: Base-Base interactions energy: -382.288 where: short stacking energy: -218.469 Base-Backbone interact. energy: -4.284 local terms energy: -349.481768 where: bonds (distance) C4'-P energy: -90.429 bonds (distance) P-C4' energy: -105.176 flat angles C4'-P-C4' energy: -103.161 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -606.707597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.707597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.707597 (E_RNA) where: Base-Base interactions energy: -259.247 where: short stacking energy: -154.353 Base-Backbone interact. energy: 5.184 local terms energy: -352.644493 where: bonds (distance) C4'-P energy: -99.869 bonds (distance) P-C4' energy: -127.113 flat angles C4'-P-C4' energy: -90.329 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: 11.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2254.759488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.759488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.759488 (E_RNA) where: Base-Base interactions energy: -1532.735 where: short stacking energy: -680.990 Base-Backbone interact. energy: 0.036 local terms energy: -722.061256 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -155.590 flat angles P-C4'-P energy: -102.177 tors. eta vs tors. theta energy: -205.842 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: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2151.121774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.121774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.121774 (E_RNA) where: Base-Base interactions energy: -1484.744 where: short stacking energy: -610.281 Base-Backbone interact. energy: -1.212 local terms energy: -665.165622 where: bonds (distance) C4'-P energy: -119.019 bonds (distance) P-C4' energy: -124.125 flat angles C4'-P-C4' energy: -133.028 flat angles P-C4'-P energy: -92.885 tors. eta vs tors. theta energy: -196.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2030.938236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.938236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.938236 (E_RNA) where: Base-Base interactions energy: -1393.666 where: short stacking energy: -588.799 Base-Backbone interact. energy: -0.596 local terms energy: -636.676679 where: bonds (distance) C4'-P energy: -105.475 bonds (distance) P-C4' energy: -121.224 flat angles C4'-P-C4' energy: -134.085 flat angles P-C4'-P energy: -96.478 tors. eta vs tors. theta energy: -179.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1905.198435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.198435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.198435 (E_RNA) where: Base-Base interactions energy: -1289.501 where: short stacking energy: -552.294 Base-Backbone interact. energy: -2.655 local terms energy: -613.042944 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -129.361 flat angles C4'-P-C4' energy: -134.502 flat angles P-C4'-P energy: -69.950 tors. eta vs tors. theta energy: -161.450 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: 461 Temperature: 1.100000 Total energy: -1855.508913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.508913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.508913 (E_RNA) where: Base-Base interactions energy: -1280.203 where: short stacking energy: -534.714 Base-Backbone interact. energy: 0.468 local terms energy: -575.773566 where: bonds (distance) C4'-P energy: -108.956 bonds (distance) P-C4' energy: -108.049 flat angles C4'-P-C4' energy: -134.942 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -155.229 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: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1428.568771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.568771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.568771 (E_RNA) where: Base-Base interactions energy: -904.048 where: short stacking energy: -400.711 Base-Backbone interact. energy: 0.572 local terms energy: -525.093102 where: bonds (distance) C4'-P energy: -121.203 bonds (distance) P-C4' energy: -112.587 flat angles C4'-P-C4' energy: -117.606 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -91.277 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: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1286.266150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.266150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.266150 (E_RNA) where: Base-Base interactions energy: -798.354 where: short stacking energy: -367.807 Base-Backbone interact. energy: -4.945 local terms energy: -482.967344 where: bonds (distance) C4'-P energy: -101.948 bonds (distance) P-C4' energy: -107.807 flat angles C4'-P-C4' energy: -123.283 flat angles P-C4'-P energy: -61.531 tors. eta vs tors. theta energy: -88.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -940.411688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.411688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.411688 (E_RNA) where: Base-Base interactions energy: -508.737 where: short stacking energy: -266.868 Base-Backbone interact. energy: -1.948 local terms energy: -429.726849 where: bonds (distance) C4'-P energy: -116.164 bonds (distance) P-C4' energy: -107.269 flat angles C4'-P-C4' energy: -110.609 flat angles P-C4'-P energy: -69.124 tors. eta vs tors. theta energy: -26.561 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: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -748.224670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.224670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.224670 (E_RNA) where: Base-Base interactions energy: -401.129 where: short stacking energy: -234.667 Base-Backbone interact. energy: -3.363 local terms energy: -343.733350 where: bonds (distance) C4'-P energy: -96.836 bonds (distance) P-C4' energy: -98.495 flat angles C4'-P-C4' energy: -98.589 flat angles P-C4'-P energy: -47.191 tors. eta vs tors. theta energy: -2.621 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: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -607.555774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.555774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.555774 (E_RNA) where: Base-Base interactions energy: -273.006 where: short stacking energy: -178.327 Base-Backbone interact. energy: -5.645 local terms energy: -328.904238 where: bonds (distance) C4'-P energy: -116.312 bonds (distance) P-C4' energy: -101.969 flat angles C4'-P-C4' energy: -86.505 flat angles P-C4'-P energy: -33.596 tors. eta vs tors. theta energy: 9.478 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: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2232.922072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.922072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.922072 (E_RNA) where: Base-Base interactions energy: -1535.466 where: short stacking energy: -652.043 Base-Backbone interact. energy: -1.962 local terms energy: -695.494589 where: bonds (distance) C4'-P energy: -126.493 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -147.610 flat angles P-C4'-P energy: -90.329 tors. eta vs tors. theta energy: -197.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2131.546019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.546019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.546019 (E_RNA) where: Base-Base interactions energy: -1494.456 where: short stacking energy: -628.550 Base-Backbone interact. energy: -1.641 local terms energy: -635.448805 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -109.375 flat angles C4'-P-C4' energy: -129.884 flat angles P-C4'-P energy: -103.986 tors. eta vs tors. theta energy: -188.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2021.803525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.803525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.803525 (E_RNA) where: Base-Base interactions energy: -1388.136 where: short stacking energy: -599.723 Base-Backbone interact. energy: -1.938 local terms energy: -631.729712 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -120.997 flat angles C4'-P-C4' energy: -130.240 flat angles P-C4'-P energy: -95.942 tors. eta vs tors. theta energy: -174.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1923.198098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.198098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.198098 (E_RNA) where: Base-Base interactions energy: -1318.465 where: short stacking energy: -583.625 Base-Backbone interact. energy: 1.973 local terms energy: -606.705940 where: bonds (distance) C4'-P energy: -102.270 bonds (distance) P-C4' energy: -105.647 flat angles C4'-P-C4' energy: -131.322 flat angles P-C4'-P energy: -92.109 tors. eta vs tors. theta energy: -175.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1887.727996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.727996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.727996 (E_RNA) where: Base-Base interactions energy: -1300.157 where: short stacking energy: -571.925 Base-Backbone interact. energy: 0.357 local terms energy: -587.928470 where: bonds (distance) C4'-P energy: -97.164 bonds (distance) P-C4' energy: -124.372 flat angles C4'-P-C4' energy: -123.140 flat angles P-C4'-P energy: -74.357 tors. eta vs tors. theta energy: -168.896 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: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1500.434300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.434300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.434300 (E_RNA) where: Base-Base interactions energy: -995.435 where: short stacking energy: -465.983 Base-Backbone interact. energy: -0.176 local terms energy: -504.823031 where: bonds (distance) C4'-P energy: -105.459 bonds (distance) P-C4' energy: -118.284 flat angles C4'-P-C4' energy: -113.888 flat angles P-C4'-P energy: -69.352 tors. eta vs tors. theta energy: -97.840 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: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1268.151453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.151453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.151453 (E_RNA) where: Base-Base interactions energy: -810.952 where: short stacking energy: -385.809 Base-Backbone interact. energy: -0.485 local terms energy: -456.714729 where: bonds (distance) C4'-P energy: -80.993 bonds (distance) P-C4' energy: -113.794 flat angles C4'-P-C4' energy: -110.844 flat angles P-C4'-P energy: -78.802 tors. eta vs tors. theta energy: -72.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -817.643678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.643678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.643678 (E_RNA) where: Base-Base interactions energy: -400.862 where: short stacking energy: -233.546 Base-Backbone interact. energy: 0.038 local terms energy: -416.819437 where: bonds (distance) C4'-P energy: -120.131 bonds (distance) P-C4' energy: -111.768 flat angles C4'-P-C4' energy: -114.248 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: -14.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -655.801223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.801223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.801223 (E_RNA) where: Base-Base interactions energy: -308.138 where: short stacking energy: -180.695 Base-Backbone interact. energy: -1.394 local terms energy: -346.269518 where: bonds (distance) C4'-P energy: -116.306 bonds (distance) P-C4' energy: -105.745 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: 11.657 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: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -720.745707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.745707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.745707 (E_RNA) where: Base-Base interactions energy: -409.776 where: short stacking energy: -205.128 Base-Backbone interact. energy: 3.647 local terms energy: -314.617174 where: bonds (distance) C4'-P energy: -83.388 bonds (distance) P-C4' energy: -112.320 flat angles C4'-P-C4' energy: -81.411 flat angles P-C4'-P energy: -53.442 tors. eta vs tors. theta energy: 15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2255.375186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.375186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.375186 (E_RNA) where: Base-Base interactions energy: -1539.193 where: short stacking energy: -661.012 Base-Backbone interact. energy: -4.541 local terms energy: -711.641637 where: bonds (distance) C4'-P energy: -124.907 bonds (distance) P-C4' energy: -123.992 flat angles C4'-P-C4' energy: -153.891 flat angles P-C4'-P energy: -101.446 tors. eta vs tors. theta energy: -207.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2138.318849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.318849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.318849 (E_RNA) where: Base-Base interactions energy: -1482.358 where: short stacking energy: -638.870 Base-Backbone interact. energy: -3.915 local terms energy: -652.045717 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -117.137 flat angles C4'-P-C4' energy: -137.224 flat angles P-C4'-P energy: -97.526 tors. eta vs tors. theta energy: -185.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2012.415962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.415962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.415962 (E_RNA) where: Base-Base interactions energy: -1383.091 where: short stacking energy: -574.925 Base-Backbone interact. energy: -2.805 local terms energy: -626.519962 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -117.802 flat angles C4'-P-C4' energy: -136.741 flat angles P-C4'-P energy: -72.985 tors. eta vs tors. theta energy: -189.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1918.783000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.783000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.783000 (E_RNA) where: Base-Base interactions energy: -1320.162 where: short stacking energy: -575.466 Base-Backbone interact. energy: -3.787 local terms energy: -594.834003 where: bonds (distance) C4'-P energy: -97.451 bonds (distance) P-C4' energy: -120.092 flat angles C4'-P-C4' energy: -134.317 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: -153.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1832.630139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.630139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.630139 (E_RNA) where: Base-Base interactions energy: -1249.950 where: short stacking energy: -526.325 Base-Backbone interact. energy: -2.974 local terms energy: -579.706009 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -125.685 flat angles C4'-P-C4' energy: -133.861 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -140.838 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: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1515.908824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.908824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.908824 (E_RNA) where: Base-Base interactions energy: -989.558 where: short stacking energy: -438.998 Base-Backbone interact. energy: -3.340 local terms energy: -523.010774 where: bonds (distance) C4'-P energy: -111.867 bonds (distance) P-C4' energy: -116.833 flat angles C4'-P-C4' energy: -111.697 flat angles P-C4'-P energy: -84.294 tors. eta vs tors. theta energy: -98.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1243.370203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.370203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.370203 (E_RNA) where: Base-Base interactions energy: -747.428 where: short stacking energy: -373.252 Base-Backbone interact. energy: -2.253 local terms energy: -493.689497 where: bonds (distance) C4'-P energy: -98.386 bonds (distance) P-C4' energy: -125.302 flat angles C4'-P-C4' energy: -108.260 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -80.574 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: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -837.681325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.681325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.681325 (E_RNA) where: Base-Base interactions energy: -440.018 where: short stacking energy: -240.373 Base-Backbone interact. energy: -0.580 local terms energy: -397.083679 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -104.365 flat angles C4'-P-C4' energy: -105.902 flat angles P-C4'-P energy: -62.868 tors. eta vs tors. theta energy: -19.371 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: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -664.496539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.496539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.496539 (E_RNA) where: Base-Base interactions energy: -314.597 where: short stacking energy: -203.324 Base-Backbone interact. energy: -1.886 local terms energy: -348.013565 where: bonds (distance) C4'-P energy: -92.511 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -4.242 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: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -725.204417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.204417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.204417 (E_RNA) where: Base-Base interactions energy: -370.561 where: short stacking energy: -216.179 Base-Backbone interact. energy: 4.531 local terms energy: -359.174608 where: bonds (distance) C4'-P energy: -97.203 bonds (distance) P-C4' energy: -108.223 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -54.608 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2239.205745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.205745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.205745 (E_RNA) where: Base-Base interactions energy: -1545.224 where: short stacking energy: -661.174 Base-Backbone interact. energy: -4.766 local terms energy: -689.215323 where: bonds (distance) C4'-P energy: -112.448 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -142.067 flat angles P-C4'-P energy: -96.769 tors. eta vs tors. theta energy: -204.902 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: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2158.209517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.209517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.209517 (E_RNA) where: Base-Base interactions energy: -1493.249 where: short stacking energy: -649.044 Base-Backbone interact. energy: -1.038 local terms energy: -663.922095 where: bonds (distance) C4'-P energy: -112.488 bonds (distance) P-C4' energy: -119.960 flat angles C4'-P-C4' energy: -147.119 flat angles P-C4'-P energy: -97.233 tors. eta vs tors. theta energy: -187.121 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: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2034.087336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.087336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.087336 (E_RNA) where: Base-Base interactions energy: -1380.302 where: short stacking energy: -584.981 Base-Backbone interact. energy: -2.202 local terms energy: -651.582460 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -107.998 flat angles C4'-P-C4' energy: -140.644 flat angles P-C4'-P energy: -90.366 tors. eta vs tors. theta energy: -178.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1885.990169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.990169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.990169 (E_RNA) where: Base-Base interactions energy: -1273.019 where: short stacking energy: -578.561 Base-Backbone interact. energy: -1.733 local terms energy: -611.238506 where: bonds (distance) C4'-P energy: -90.403 bonds (distance) P-C4' energy: -132.116 flat angles C4'-P-C4' energy: -142.894 flat angles P-C4'-P energy: -87.656 tors. eta vs tors. theta energy: -158.170 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: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1876.514243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.514243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.514243 (E_RNA) where: Base-Base interactions energy: -1269.762 where: short stacking energy: -548.196 Base-Backbone interact. energy: 3.450 local terms energy: -610.202080 where: bonds (distance) C4'-P energy: -101.054 bonds (distance) P-C4' energy: -131.068 flat angles C4'-P-C4' energy: -140.085 flat angles P-C4'-P energy: -83.654 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: 6, replica: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1496.490294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.490294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.490294 (E_RNA) where: Base-Base interactions energy: -1012.294 where: short stacking energy: -439.007 Base-Backbone interact. energy: -2.852 local terms energy: -481.344605 where: bonds (distance) C4'-P energy: -93.773 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -112.210 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -92.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1265.436475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.436475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.436475 (E_RNA) where: Base-Base interactions energy: -798.256 where: short stacking energy: -372.231 Base-Backbone interact. energy: 1.343 local terms energy: -468.523610 where: bonds (distance) C4'-P energy: -110.705 bonds (distance) P-C4' energy: -112.430 flat angles C4'-P-C4' energy: -105.610 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -76.576 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: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -924.030329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.030329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.030329 (E_RNA) where: Base-Base interactions energy: -510.768 where: short stacking energy: -276.084 Base-Backbone interact. energy: 0.632 local terms energy: -413.894854 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -115.087 flat angles C4'-P-C4' energy: -94.071 flat angles P-C4'-P energy: -79.164 tors. eta vs tors. theta energy: -39.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -715.511840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511840 (E_RNA) where: Base-Base interactions energy: -379.583 where: short stacking energy: -207.681 Base-Backbone interact. energy: 4.957 local terms energy: -340.885714 where: bonds (distance) C4'-P energy: -91.147 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -682.843156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.843156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.843156 (E_RNA) where: Base-Base interactions energy: -336.329 where: short stacking energy: -199.557 Base-Backbone interact. energy: -0.113 local terms energy: -346.401126 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -105.282 flat angles C4'-P-C4' energy: -75.653 flat angles P-C4'-P energy: -55.541 tors. eta vs tors. theta energy: -17.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2232.091267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.091267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.091267 (E_RNA) where: Base-Base interactions energy: -1498.788 where: short stacking energy: -650.249 Base-Backbone interact. energy: -4.183 local terms energy: -729.120360 where: bonds (distance) C4'-P energy: -134.730 bonds (distance) P-C4' energy: -134.506 flat angles C4'-P-C4' energy: -158.923 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -203.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2135.426674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.426674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.426674 (E_RNA) where: Base-Base interactions energy: -1494.533 where: short stacking energy: -643.774 Base-Backbone interact. energy: -4.313 local terms energy: -636.580629 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -112.440 flat angles C4'-P-C4' energy: -134.685 flat angles P-C4'-P energy: -88.513 tors. eta vs tors. theta energy: -181.621 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: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2033.569884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.569884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.569884 (E_RNA) where: Base-Base interactions energy: -1392.612 where: short stacking energy: -584.225 Base-Backbone interact. energy: -2.430 local terms energy: -638.528203 where: bonds (distance) C4'-P energy: -118.520 bonds (distance) P-C4' energy: -129.210 flat angles C4'-P-C4' energy: -121.612 flat angles P-C4'-P energy: -91.766 tors. eta vs tors. theta energy: -177.420 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: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1906.973166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.973166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.973166 (E_RNA) where: Base-Base interactions energy: -1280.317 where: short stacking energy: -564.019 Base-Backbone interact. energy: -1.456 local terms energy: -625.200465 where: bonds (distance) C4'-P energy: -117.740 bonds (distance) P-C4' energy: -114.187 flat angles C4'-P-C4' energy: -131.666 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -167.791 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: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1858.166668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.166668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.166668 (E_RNA) where: Base-Base interactions energy: -1260.786 where: short stacking energy: -560.106 Base-Backbone interact. energy: 4.992 local terms energy: -602.372015 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -105.997 flat angles C4'-P-C4' energy: -128.620 flat angles P-C4'-P energy: -77.432 tors. eta vs tors. theta energy: -169.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1551.649209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.649209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.649209 (E_RNA) where: Base-Base interactions energy: -1042.654 where: short stacking energy: -457.739 Base-Backbone interact. energy: 0.647 local terms energy: -509.642177 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -113.764 flat angles C4'-P-C4' energy: -109.055 flat angles P-C4'-P energy: -75.534 tors. eta vs tors. theta energy: -115.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1200.457782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.457782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.457782 (E_RNA) where: Base-Base interactions energy: -737.327 where: short stacking energy: -372.768 Base-Backbone interact. energy: 1.657 local terms energy: -464.788030 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -105.837 flat angles C4'-P-C4' energy: -106.618 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -65.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -910.605122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.605122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.605122 (E_RNA) where: Base-Base interactions energy: -507.183 where: short stacking energy: -265.616 Base-Backbone interact. energy: 8.582 local terms energy: -412.004108 where: bonds (distance) C4'-P energy: -89.074 bonds (distance) P-C4' energy: -119.588 flat angles C4'-P-C4' energy: -104.770 flat angles P-C4'-P energy: -59.992 tors. eta vs tors. theta energy: -38.580 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: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -706.587378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.587378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.587378 (E_RNA) where: Base-Base interactions energy: -328.274 where: short stacking energy: -184.647 Base-Backbone interact. energy: -1.407 local terms energy: -376.906226 where: bonds (distance) C4'-P energy: -112.590 bonds (distance) P-C4' energy: -124.816 flat angles C4'-P-C4' energy: -90.942 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: 3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -632.133295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.133295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.133295 (E_RNA) where: Base-Base interactions energy: -321.680 where: short stacking energy: -182.284 Base-Backbone interact. energy: -1.659 local terms energy: -308.794617 where: bonds (distance) C4'-P energy: -83.943 bonds (distance) P-C4' energy: -102.925 flat angles C4'-P-C4' energy: -83.587 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: 4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2220.351530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.351530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.351530 (E_RNA) where: Base-Base interactions energy: -1526.179 where: short stacking energy: -661.209 Base-Backbone interact. energy: -0.792 local terms energy: -693.380841 where: bonds (distance) C4'-P energy: -119.374 bonds (distance) P-C4' energy: -132.960 flat angles C4'-P-C4' energy: -142.292 flat angles P-C4'-P energy: -93.325 tors. eta vs tors. theta energy: -205.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2130.645481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.645481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.645481 (E_RNA) where: Base-Base interactions energy: -1473.981 where: short stacking energy: -618.251 Base-Backbone interact. energy: -6.250 local terms energy: -650.414469 where: bonds (distance) C4'-P energy: -123.358 bonds (distance) P-C4' energy: -118.882 flat angles C4'-P-C4' energy: -127.639 flat angles P-C4'-P energy: -90.062 tors. eta vs tors. theta energy: -190.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2057.834249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.834249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.834249 (E_RNA) where: Base-Base interactions energy: -1397.047 where: short stacking energy: -588.926 Base-Backbone interact. energy: -3.839 local terms energy: -656.947953 where: bonds (distance) C4'-P energy: -106.777 bonds (distance) P-C4' energy: -122.625 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -108.027 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: 4, replica: 1 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1931.420427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.420427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.420427 (E_RNA) where: Base-Base interactions energy: -1296.224 where: short stacking energy: -549.720 Base-Backbone interact. energy: -1.849 local terms energy: -633.347892 where: bonds (distance) C4'-P energy: -106.181 bonds (distance) P-C4' energy: -133.009 flat angles C4'-P-C4' energy: -135.404 flat angles P-C4'-P energy: -94.875 tors. eta vs tors. theta energy: -163.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1844.276046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.276046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.276046 (E_RNA) where: Base-Base interactions energy: -1258.492 where: short stacking energy: -540.535 Base-Backbone interact. energy: 2.534 local terms energy: -588.317584 where: bonds (distance) C4'-P energy: -114.059 bonds (distance) P-C4' energy: -109.712 flat angles C4'-P-C4' energy: -120.191 flat angles P-C4'-P energy: -89.020 tors. eta vs tors. theta energy: -155.336 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: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1548.060460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.060460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.060460 (E_RNA) where: Base-Base interactions energy: -1036.198 where: short stacking energy: -467.862 Base-Backbone interact. energy: 0.238 local terms energy: -512.099781 where: bonds (distance) C4'-P energy: -99.938 bonds (distance) P-C4' energy: -104.647 flat angles C4'-P-C4' energy: -117.347 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: -113.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1195.047627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.047627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.047627 (E_RNA) where: Base-Base interactions energy: -736.230 where: short stacking energy: -355.793 Base-Backbone interact. energy: -1.666 local terms energy: -457.152246 where: bonds (distance) C4'-P energy: -96.083 bonds (distance) P-C4' energy: -108.889 flat angles C4'-P-C4' energy: -110.907 flat angles P-C4'-P energy: -68.200 tors. eta vs tors. theta energy: -73.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -939.767730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.767730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.767730 (E_RNA) where: Base-Base interactions energy: -527.110 where: short stacking energy: -296.507 Base-Backbone interact. energy: -3.405 local terms energy: -409.252974 where: bonds (distance) C4'-P energy: -108.154 bonds (distance) P-C4' energy: -111.019 flat angles C4'-P-C4' energy: -99.999 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -42.017 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: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -681.684131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.684131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.684131 (E_RNA) where: Base-Base interactions energy: -333.540 where: short stacking energy: -219.014 Base-Backbone interact. energy: 0.471 local terms energy: -348.614846 where: bonds (distance) C4'-P energy: -109.767 bonds (distance) P-C4' energy: -106.012 flat angles C4'-P-C4' energy: -77.760 flat angles P-C4'-P energy: -55.698 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -692.353264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.353264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.353264 (E_RNA) where: Base-Base interactions energy: -391.257 where: short stacking energy: -211.641 Base-Backbone interact. energy: 4.842 local terms energy: -305.938202 where: bonds (distance) C4'-P energy: -97.834 bonds (distance) P-C4' energy: -82.004 flat angles C4'-P-C4' energy: -76.885 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: 1.726 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: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2245.143756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.143756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.143756 (E_RNA) where: Base-Base interactions energy: -1540.593 where: short stacking energy: -662.600 Base-Backbone interact. energy: -1.683 local terms energy: -702.867880 where: bonds (distance) C4'-P energy: -119.526 bonds (distance) P-C4' energy: -124.878 flat angles C4'-P-C4' energy: -149.313 flat angles P-C4'-P energy: -104.593 tors. eta vs tors. theta energy: -204.558 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: 467 Temperature: 0.950000 Total energy: -2139.284480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.284480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.284480 (E_RNA) where: Base-Base interactions energy: -1494.418 where: short stacking energy: -646.638 Base-Backbone interact. energy: -5.830 local terms energy: -639.035826 where: bonds (distance) C4'-P energy: -101.271 bonds (distance) P-C4' energy: -126.947 flat angles C4'-P-C4' energy: -133.992 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -191.822 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: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2105.128701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.128701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.128701 (E_RNA) where: Base-Base interactions energy: -1450.490 where: short stacking energy: -606.412 Base-Backbone interact. energy: -4.194 local terms energy: -650.443977 where: bonds (distance) C4'-P energy: -117.037 bonds (distance) P-C4' energy: -108.108 flat angles C4'-P-C4' energy: -142.705 flat angles P-C4'-P energy: -88.286 tors. eta vs tors. theta energy: -194.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1873.631534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.631534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.631534 (E_RNA) where: Base-Base interactions energy: -1258.319 where: short stacking energy: -536.482 Base-Backbone interact. energy: 1.453 local terms energy: -616.765700 where: bonds (distance) C4'-P energy: -115.264 bonds (distance) P-C4' energy: -106.459 flat angles C4'-P-C4' energy: -134.956 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -156.766 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: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1793.717952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.717952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.717952 (E_RNA) where: Base-Base interactions energy: -1216.774 where: short stacking energy: -514.708 Base-Backbone interact. energy: -3.250 local terms energy: -573.694645 where: bonds (distance) C4'-P energy: -101.280 bonds (distance) P-C4' energy: -110.578 flat angles C4'-P-C4' energy: -131.240 flat angles P-C4'-P energy: -95.914 tors. eta vs tors. theta energy: -134.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1551.087078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.087078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.087078 (E_RNA) where: Base-Base interactions energy: -1020.962 where: short stacking energy: -441.928 Base-Backbone interact. energy: -2.146 local terms energy: -527.979763 where: bonds (distance) C4'-P energy: -109.438 bonds (distance) P-C4' energy: -119.941 flat angles C4'-P-C4' energy: -112.217 flat angles P-C4'-P energy: -85.452 tors. eta vs tors. theta energy: -100.931 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: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1159.442646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.442646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.442646 (E_RNA) where: Base-Base interactions energy: -701.080 where: short stacking energy: -358.258 Base-Backbone interact. energy: -2.715 local terms energy: -455.647602 where: bonds (distance) C4'-P energy: -86.251 bonds (distance) P-C4' energy: -123.475 flat angles C4'-P-C4' energy: -102.491 flat angles P-C4'-P energy: -78.566 tors. eta vs tors. theta energy: -64.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -981.470267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.470267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.470267 (E_RNA) where: Base-Base interactions energy: -565.993 where: short stacking energy: -314.410 Base-Backbone interact. energy: -1.802 local terms energy: -413.675191 where: bonds (distance) C4'-P energy: -83.593 bonds (distance) P-C4' energy: -107.770 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -48.810 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: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -641.901833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.901833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.901833 (E_RNA) where: Base-Base interactions energy: -335.831 where: short stacking energy: -223.564 Base-Backbone interact. energy: 7.286 local terms energy: -313.356443 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -98.366 flat angles C4'-P-C4' energy: -86.467 flat angles P-C4'-P energy: -36.983 tors. eta vs tors. theta energy: 8.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -686.156704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.156704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.156704 (E_RNA) where: Base-Base interactions energy: -360.994 where: short stacking energy: -190.214 Base-Backbone interact. energy: 6.344 local terms energy: -331.506743 where: bonds (distance) C4'-P energy: -111.096 bonds (distance) P-C4' energy: -86.931 flat angles C4'-P-C4' energy: -93.020 flat angles P-C4'-P energy: -56.057 tors. eta vs tors. theta energy: 15.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2204.579233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.579233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.579233 (E_RNA) where: Base-Base interactions energy: -1506.961 where: short stacking energy: -662.609 Base-Backbone interact. energy: -2.188 local terms energy: -695.430448 where: bonds (distance) C4'-P energy: -128.421 bonds (distance) P-C4' energy: -131.315 flat angles C4'-P-C4' energy: -144.515 flat angles P-C4'-P energy: -90.333 tors. eta vs tors. theta energy: -200.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2150.814357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.814357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.814357 (E_RNA) where: Base-Base interactions energy: -1470.214 where: short stacking energy: -634.432 Base-Backbone interact. energy: -0.874 local terms energy: -679.726455 where: bonds (distance) C4'-P energy: -122.673 bonds (distance) P-C4' energy: -124.466 flat angles C4'-P-C4' energy: -135.546 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -197.960 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: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2080.272329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.272329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.272329 (E_RNA) where: Base-Base interactions energy: -1454.119 where: short stacking energy: -617.507 Base-Backbone interact. energy: -5.185 local terms energy: -620.968495 where: bonds (distance) C4'-P energy: -109.421 bonds (distance) P-C4' energy: -113.192 flat angles C4'-P-C4' energy: -145.751 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -178.663 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: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1898.712071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.712071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.712071 (E_RNA) where: Base-Base interactions energy: -1291.766 where: short stacking energy: -549.573 Base-Backbone interact. energy: -2.366 local terms energy: -604.580138 where: bonds (distance) C4'-P energy: -120.037 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -139.943 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -150.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1769.755281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.755281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.755281 (E_RNA) where: Base-Base interactions energy: -1184.928 where: short stacking energy: -525.674 Base-Backbone interact. energy: -0.493 local terms energy: -584.334647 where: bonds (distance) C4'-P energy: -104.572 bonds (distance) P-C4' energy: -105.951 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -88.890 tors. eta vs tors. theta energy: -148.625 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: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1531.671809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.671809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.671809 (E_RNA) where: Base-Base interactions energy: -1029.245 where: short stacking energy: -467.743 Base-Backbone interact. energy: 0.827 local terms energy: -503.253765 where: bonds (distance) C4'-P energy: -102.214 bonds (distance) P-C4' energy: -117.237 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -105.359 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: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1223.342981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.342981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.342981 (E_RNA) where: Base-Base interactions energy: -744.990 where: short stacking energy: -369.216 Base-Backbone interact. energy: 7.595 local terms energy: -485.948049 where: bonds (distance) C4'-P energy: -102.104 bonds (distance) P-C4' energy: -120.983 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: -91.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1003.629650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.629650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.629650 (E_RNA) where: Base-Base interactions energy: -564.329 where: short stacking energy: -290.339 Base-Backbone interact. energy: 1.242 local terms energy: -440.542214 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -106.136 flat angles C4'-P-C4' energy: -116.421 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -56.676 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: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -758.962328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.962328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.962328 (E_RNA) where: Base-Base interactions energy: -419.460 where: short stacking energy: -229.411 Base-Backbone interact. energy: 4.304 local terms energy: -343.806419 where: bonds (distance) C4'-P energy: -96.584 bonds (distance) P-C4' energy: -103.235 flat angles C4'-P-C4' energy: -93.274 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: 4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -653.713759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.713759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.713759 (E_RNA) where: Base-Base interactions energy: -328.454 where: short stacking energy: -182.118 Base-Backbone interact. energy: -3.777 local terms energy: -321.483050 where: bonds (distance) C4'-P energy: -104.255 bonds (distance) P-C4' energy: -90.286 flat angles C4'-P-C4' energy: -83.803 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: 10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2209.004316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.004316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.004316 (E_RNA) where: Base-Base interactions energy: -1509.996 where: short stacking energy: -643.837 Base-Backbone interact. energy: -1.521 local terms energy: -697.487150 where: bonds (distance) C4'-P energy: -121.445 bonds (distance) P-C4' energy: -128.531 flat angles C4'-P-C4' energy: -150.267 flat angles P-C4'-P energy: -99.854 tors. eta vs tors. theta energy: -197.391 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: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2145.629230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.629230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.629230 (E_RNA) where: Base-Base interactions energy: -1454.110 where: short stacking energy: -609.384 Base-Backbone interact. energy: -0.694 local terms energy: -690.825283 where: bonds (distance) C4'-P energy: -117.319 bonds (distance) P-C4' energy: -128.789 flat angles C4'-P-C4' energy: -135.943 flat angles P-C4'-P energy: -109.309 tors. eta vs tors. theta energy: -199.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2070.265472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.265472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.265472 (E_RNA) where: Base-Base interactions energy: -1424.762 where: short stacking energy: -611.132 Base-Backbone interact. energy: -3.943 local terms energy: -641.560158 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -125.760 flat angles C4'-P-C4' energy: -134.124 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: -178.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1880.539214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.539214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.539214 (E_RNA) where: Base-Base interactions energy: -1260.774 where: short stacking energy: -553.390 Base-Backbone interact. energy: -2.533 local terms energy: -617.232414 where: bonds (distance) C4'-P energy: -108.046 bonds (distance) P-C4' energy: -122.317 flat angles C4'-P-C4' energy: -135.886 flat angles P-C4'-P energy: -93.531 tors. eta vs tors. theta energy: -157.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1796.064953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.064953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.064953 (E_RNA) where: Base-Base interactions energy: -1218.900 where: short stacking energy: -531.790 Base-Backbone interact. energy: -3.977 local terms energy: -573.188089 where: bonds (distance) C4'-P energy: -125.140 bonds (distance) P-C4' energy: -113.972 flat angles C4'-P-C4' energy: -127.193 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: -145.629 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: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1555.170861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.170861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.170861 (E_RNA) where: Base-Base interactions energy: -986.883 where: short stacking energy: -463.815 Base-Backbone interact. energy: 2.375 local terms energy: -570.663499 where: bonds (distance) C4'-P energy: -110.437 bonds (distance) P-C4' energy: -128.418 flat angles C4'-P-C4' energy: -129.473 flat angles P-C4'-P energy: -79.271 tors. eta vs tors. theta energy: -123.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1223.277633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.277633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.277633 (E_RNA) where: Base-Base interactions energy: -769.775 where: short stacking energy: -349.481 Base-Backbone interact. energy: -1.752 local terms energy: -451.750316 where: bonds (distance) C4'-P energy: -107.729 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -127.717 flat angles P-C4'-P energy: -71.831 tors. eta vs tors. theta energy: -46.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -924.873368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.873368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.873368 (E_RNA) where: Base-Base interactions energy: -525.387 where: short stacking energy: -257.720 Base-Backbone interact. energy: -1.163 local terms energy: -398.323362 where: bonds (distance) C4'-P energy: -108.606 bonds (distance) P-C4' energy: -114.945 flat angles C4'-P-C4' energy: -93.645 flat angles P-C4'-P energy: -57.871 tors. eta vs tors. theta energy: -23.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -731.058571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.058571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.058571 (E_RNA) where: Base-Base interactions energy: -359.413 where: short stacking energy: -182.007 Base-Backbone interact. energy: 12.982 local terms energy: -384.628089 where: bonds (distance) C4'-P energy: -101.366 bonds (distance) P-C4' energy: -129.619 flat angles C4'-P-C4' energy: -96.681 flat angles P-C4'-P energy: -56.917 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -686.563136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.563136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.563136 (E_RNA) where: Base-Base interactions energy: -349.169 where: short stacking energy: -201.309 Base-Backbone interact. energy: -0.145 local terms energy: -337.249392 where: bonds (distance) C4'-P energy: -106.469 bonds (distance) P-C4' energy: -89.272 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -66.076 tors. eta vs tors. theta energy: 15.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2200.386613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.386613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.386613 (E_RNA) where: Base-Base interactions energy: -1508.246 where: short stacking energy: -646.868 Base-Backbone interact. energy: -2.606 local terms energy: -689.534523 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -132.442 flat angles C4'-P-C4' energy: -141.516 flat angles P-C4'-P energy: -99.313 tors. eta vs tors. theta energy: -194.203 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: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2152.173881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.173881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.173881 (E_RNA) where: Base-Base interactions energy: -1476.357 where: short stacking energy: -614.202 Base-Backbone interact. energy: -4.574 local terms energy: -671.242908 where: bonds (distance) C4'-P energy: -121.101 bonds (distance) P-C4' energy: -130.633 flat angles C4'-P-C4' energy: -141.950 flat angles P-C4'-P energy: -84.273 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: 3, replica: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2068.980948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.980948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.980948 (E_RNA) where: Base-Base interactions energy: -1411.198 where: short stacking energy: -616.642 Base-Backbone interact. energy: -2.189 local terms energy: -655.594071 where: bonds (distance) C4'-P energy: -123.663 bonds (distance) P-C4' energy: -111.713 flat angles C4'-P-C4' energy: -138.085 flat angles P-C4'-P energy: -107.884 tors. eta vs tors. theta energy: -174.249 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: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1866.639621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.639621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.639621 (E_RNA) where: Base-Base interactions energy: -1238.225 where: short stacking energy: -528.196 Base-Backbone interact. energy: -3.960 local terms energy: -624.454654 where: bonds (distance) C4'-P energy: -108.983 bonds (distance) P-C4' energy: -124.823 flat angles C4'-P-C4' energy: -137.831 flat angles P-C4'-P energy: -79.479 tors. eta vs tors. theta energy: -173.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1858.780697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.780697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.780697 (E_RNA) where: Base-Base interactions energy: -1261.848 where: short stacking energy: -539.752 Base-Backbone interact. energy: 0.499 local terms energy: -597.431756 where: bonds (distance) C4'-P energy: -120.922 bonds (distance) P-C4' energy: -119.052 flat angles C4'-P-C4' energy: -125.558 flat angles P-C4'-P energy: -78.250 tors. eta vs tors. theta energy: -153.649 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: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1455.021803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.021803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.021803 (E_RNA) where: Base-Base interactions energy: -954.688 where: short stacking energy: -445.856 Base-Backbone interact. energy: 2.182 local terms energy: -502.515504 where: bonds (distance) C4'-P energy: -104.194 bonds (distance) P-C4' energy: -112.310 flat angles C4'-P-C4' energy: -129.348 flat angles P-C4'-P energy: -53.243 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: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1202.179117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.179117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.179117 (E_RNA) where: Base-Base interactions energy: -753.012 where: short stacking energy: -363.315 Base-Backbone interact. energy: -1.813 local terms energy: -447.354467 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -128.584 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -64.615 tors. eta vs tors. theta energy: -62.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -950.283898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.283898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.283898 (E_RNA) where: Base-Base interactions energy: -548.591 where: short stacking energy: -280.559 Base-Backbone interact. energy: 0.833 local terms energy: -402.526290 where: bonds (distance) C4'-P energy: -115.862 bonds (distance) P-C4' energy: -101.490 flat angles C4'-P-C4' energy: -92.268 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -40.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -716.680823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.680823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.680823 (E_RNA) where: Base-Base interactions energy: -334.896 where: short stacking energy: -188.348 Base-Backbone interact. energy: -0.346 local terms energy: -381.438675 where: bonds (distance) C4'-P energy: -102.878 bonds (distance) P-C4' energy: -119.326 flat angles C4'-P-C4' energy: -92.413 flat angles P-C4'-P energy: -61.539 tors. eta vs tors. theta energy: -5.282 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -685.132445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.132445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.132445 (E_RNA) where: Base-Base interactions energy: -326.571 where: short stacking energy: -202.618 Base-Backbone interact. energy: -1.476 local terms energy: -357.085167 where: bonds (distance) C4'-P energy: -99.684 bonds (distance) P-C4' energy: -114.013 flat angles C4'-P-C4' energy: -100.006 flat angles P-C4'-P energy: -34.533 tors. eta vs tors. theta energy: -8.849 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: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2234.756218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.756218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.756218 (E_RNA) where: Base-Base interactions energy: -1530.300 where: short stacking energy: -685.237 Base-Backbone interact. energy: -2.386 local terms energy: -702.070124 where: bonds (distance) C4'-P energy: -129.320 bonds (distance) P-C4' energy: -134.512 flat angles C4'-P-C4' energy: -143.322 flat angles P-C4'-P energy: -92.825 tors. eta vs tors. theta energy: -202.090 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: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2089.135448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.135448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.135448 (E_RNA) where: Base-Base interactions energy: -1420.625 where: short stacking energy: -621.774 Base-Backbone interact. energy: -5.675 local terms energy: -662.835575 where: bonds (distance) C4'-P energy: -123.370 bonds (distance) P-C4' energy: -123.561 flat angles C4'-P-C4' energy: -137.460 flat angles P-C4'-P energy: -99.314 tors. eta vs tors. theta energy: -179.130 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: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2100.188859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.188859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.188859 (E_RNA) where: Base-Base interactions energy: -1429.831 where: short stacking energy: -604.706 Base-Backbone interact. energy: -4.828 local terms energy: -665.529573 where: bonds (distance) C4'-P energy: -123.157 bonds (distance) P-C4' energy: -121.210 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -95.689 tors. eta vs tors. theta energy: -177.254 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: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1880.488761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.488761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.488761 (E_RNA) where: Base-Base interactions energy: -1280.380 where: short stacking energy: -570.875 Base-Backbone interact. energy: -2.574 local terms energy: -597.535007 where: bonds (distance) C4'-P energy: -88.630 bonds (distance) P-C4' energy: -117.577 flat angles C4'-P-C4' energy: -134.303 flat angles P-C4'-P energy: -91.723 tors. eta vs tors. theta energy: -165.302 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: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1803.328341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.328341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.328341 (E_RNA) where: Base-Base interactions energy: -1216.312 where: short stacking energy: -539.755 Base-Backbone interact. energy: 3.238 local terms energy: -590.254394 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -106.636 flat angles C4'-P-C4' energy: -129.130 flat angles P-C4'-P energy: -90.612 tors. eta vs tors. theta energy: -147.006 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: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1493.914922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.914922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.914922 (E_RNA) where: Base-Base interactions energy: -940.962 where: short stacking energy: -412.185 Base-Backbone interact. energy: -2.409 local terms energy: -550.544222 where: bonds (distance) C4'-P energy: -126.411 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -126.890 flat angles P-C4'-P energy: -71.684 tors. eta vs tors. theta energy: -96.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1214.887172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.887172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.887172 (E_RNA) where: Base-Base interactions energy: -751.281 where: short stacking energy: -370.434 Base-Backbone interact. energy: -2.021 local terms energy: -461.584575 where: bonds (distance) C4'-P energy: -99.185 bonds (distance) P-C4' energy: -122.082 flat angles C4'-P-C4' energy: -106.630 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -73.453 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: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -966.877508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.877508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.877508 (E_RNA) where: Base-Base interactions energy: -543.465 where: short stacking energy: -273.966 Base-Backbone interact. energy: -4.707 local terms energy: -418.705334 where: bonds (distance) C4'-P energy: -105.714 bonds (distance) P-C4' energy: -111.454 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: -37.932 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: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -756.613802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.613802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.613802 (E_RNA) where: Base-Base interactions energy: -396.005 where: short stacking energy: -222.268 Base-Backbone interact. energy: -1.672 local terms energy: -358.937372 where: bonds (distance) C4'-P energy: -103.556 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -79.535 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: 1.744 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: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -667.579655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.579655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.579655 (E_RNA) where: Base-Base interactions energy: -332.312 where: short stacking energy: -202.171 Base-Backbone interact. energy: 3.191 local terms energy: -338.458733 where: bonds (distance) C4'-P energy: -87.575 bonds (distance) P-C4' energy: -126.689 flat angles C4'-P-C4' energy: -98.369 flat angles P-C4'-P energy: -26.913 tors. eta vs tors. theta energy: 1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2217.106163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.106163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.106163 (E_RNA) where: Base-Base interactions energy: -1506.182 where: short stacking energy: -640.180 Base-Backbone interact. energy: -1.744 local terms energy: -709.180044 where: bonds (distance) C4'-P energy: -130.450 bonds (distance) P-C4' energy: -126.583 flat angles C4'-P-C4' energy: -151.760 flat angles P-C4'-P energy: -105.908 tors. eta vs tors. theta energy: -194.480 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: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2100.910823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.910823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.910823 (E_RNA) where: Base-Base interactions energy: -1436.147 where: short stacking energy: -591.229 Base-Backbone interact. energy: -1.271 local terms energy: -663.492592 where: bonds (distance) C4'-P energy: -119.032 bonds (distance) P-C4' energy: -126.509 flat angles C4'-P-C4' energy: -139.466 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -175.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2118.236287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.236287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.236287 (E_RNA) where: Base-Base interactions energy: -1471.931 where: short stacking energy: -629.065 Base-Backbone interact. energy: -8.757 local terms energy: -637.548348 where: bonds (distance) C4'-P energy: -100.367 bonds (distance) P-C4' energy: -120.425 flat angles C4'-P-C4' energy: -139.205 flat angles P-C4'-P energy: -95.556 tors. eta vs tors. theta energy: -181.996 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: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1896.595088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.595088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.595088 (E_RNA) where: Base-Base interactions energy: -1263.966 where: short stacking energy: -567.407 Base-Backbone interact. energy: -2.732 local terms energy: -629.896378 where: bonds (distance) C4'-P energy: -114.117 bonds (distance) P-C4' energy: -113.931 flat angles C4'-P-C4' energy: -136.906 flat angles P-C4'-P energy: -96.847 tors. eta vs tors. theta energy: -168.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1826.472248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.472248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.472248 (E_RNA) where: Base-Base interactions energy: -1261.028 where: short stacking energy: -539.090 Base-Backbone interact. energy: -1.082 local terms energy: -564.362304 where: bonds (distance) C4'-P energy: -105.105 bonds (distance) P-C4' energy: -105.389 flat angles C4'-P-C4' energy: -119.823 flat angles P-C4'-P energy: -87.876 tors. eta vs tors. theta energy: -146.169 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: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1522.525186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.525186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.525186 (E_RNA) where: Base-Base interactions energy: -974.972 where: short stacking energy: -430.162 Base-Backbone interact. energy: -3.110 local terms energy: -544.443053 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -106.086 flat angles C4'-P-C4' energy: -130.210 flat angles P-C4'-P energy: -87.703 tors. eta vs tors. theta energy: -100.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1195.376074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.376074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.376074 (E_RNA) where: Base-Base interactions energy: -748.333 where: short stacking energy: -381.727 Base-Backbone interact. energy: 1.014 local terms energy: -448.057295 where: bonds (distance) C4'-P energy: -99.219 bonds (distance) P-C4' energy: -118.928 flat angles C4'-P-C4' energy: -87.351 flat angles P-C4'-P energy: -68.439 tors. eta vs tors. theta energy: -74.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -959.249170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.249170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.249170 (E_RNA) where: Base-Base interactions energy: -555.874 where: short stacking energy: -270.570 Base-Backbone interact. energy: -3.075 local terms energy: -400.300029 where: bonds (distance) C4'-P energy: -104.983 bonds (distance) P-C4' energy: -109.820 flat angles C4'-P-C4' energy: -97.670 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: -37.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -722.526896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.526896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.526896 (E_RNA) where: Base-Base interactions energy: -367.283 where: short stacking energy: -198.754 Base-Backbone interact. energy: -4.226 local terms energy: -351.018480 where: bonds (distance) C4'-P energy: -94.513 bonds (distance) P-C4' energy: -120.077 flat angles C4'-P-C4' energy: -112.551 flat angles P-C4'-P energy: -34.730 tors. eta vs tors. theta energy: 10.853 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: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -611.626598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.626598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.626598 (E_RNA) where: Base-Base interactions energy: -284.235 where: short stacking energy: -169.533 Base-Backbone interact. energy: 1.986 local terms energy: -329.377678 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -86.548 flat angles C4'-P-C4' energy: -94.409 flat angles P-C4'-P energy: -45.018 tors. eta vs tors. theta energy: 11.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2240.878731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.878731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.878731 (E_RNA) where: Base-Base interactions energy: -1552.945 where: short stacking energy: -706.566 Base-Backbone interact. energy: -3.819 local terms energy: -684.114315 where: bonds (distance) C4'-P energy: -105.358 bonds (distance) P-C4' energy: -115.440 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -207.750 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: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2155.793045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.793045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.793045 (E_RNA) where: Base-Base interactions energy: -1489.448 where: short stacking energy: -640.978 Base-Backbone interact. energy: -1.595 local terms energy: -664.749968 where: bonds (distance) C4'-P energy: -129.367 bonds (distance) P-C4' energy: -119.309 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -191.586 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: 6 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2116.456657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.456657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.456657 (E_RNA) where: Base-Base interactions energy: -1448.592 where: short stacking energy: -639.106 Base-Backbone interact. energy: -3.660 local terms energy: -664.204067 where: bonds (distance) C4'-P energy: -114.169 bonds (distance) P-C4' energy: -134.248 flat angles C4'-P-C4' energy: -131.365 flat angles P-C4'-P energy: -88.846 tors. eta vs tors. theta energy: -195.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1916.116616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.116616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.116616 (E_RNA) where: Base-Base interactions energy: -1312.379 where: short stacking energy: -579.286 Base-Backbone interact. energy: -1.037 local terms energy: -602.700359 where: bonds (distance) C4'-P energy: -96.260 bonds (distance) P-C4' energy: -126.062 flat angles C4'-P-C4' energy: -125.829 flat angles P-C4'-P energy: -90.803 tors. eta vs tors. theta energy: -163.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1803.910636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.910636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.910636 (E_RNA) where: Base-Base interactions energy: -1232.245 where: short stacking energy: -546.292 Base-Backbone interact. energy: -0.635 local terms energy: -571.030575 where: bonds (distance) C4'-P energy: -112.839 bonds (distance) P-C4' energy: -108.549 flat angles C4'-P-C4' energy: -119.376 flat angles P-C4'-P energy: -80.237 tors. eta vs tors. theta energy: -150.029 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: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1513.622930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.622930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.622930 (E_RNA) where: Base-Base interactions energy: -976.624 where: short stacking energy: -433.191 Base-Backbone interact. energy: -4.664 local terms energy: -532.335586 where: bonds (distance) C4'-P energy: -104.849 bonds (distance) P-C4' energy: -115.062 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -87.834 tors. eta vs tors. theta energy: -104.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1237.736648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.736648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.736648 (E_RNA) where: Base-Base interactions energy: -752.161 where: short stacking energy: -366.563 Base-Backbone interact. energy: -1.337 local terms energy: -484.238309 where: bonds (distance) C4'-P energy: -120.219 bonds (distance) P-C4' energy: -101.488 flat angles C4'-P-C4' energy: -115.786 flat angles P-C4'-P energy: -78.837 tors. eta vs tors. theta energy: -67.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -919.775181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.775181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.775181 (E_RNA) where: Base-Base interactions energy: -543.678 where: short stacking energy: -290.289 Base-Backbone interact. energy: 2.232 local terms energy: -378.329265 where: bonds (distance) C4'-P energy: -105.599 bonds (distance) P-C4' energy: -101.184 flat angles C4'-P-C4' energy: -89.740 flat angles P-C4'-P energy: -55.557 tors. eta vs tors. theta energy: -26.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -738.562813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.562813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.562813 (E_RNA) where: Base-Base interactions energy: -380.416 where: short stacking energy: -225.369 Base-Backbone interact. energy: 1.335 local terms energy: -359.482779 where: bonds (distance) C4'-P energy: -110.966 bonds (distance) P-C4' energy: -109.100 flat angles C4'-P-C4' energy: -82.921 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -667.842645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.842645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.842645 (E_RNA) where: Base-Base interactions energy: -318.117 where: short stacking energy: -187.958 Base-Backbone interact. energy: -1.931 local terms energy: -347.794875 where: bonds (distance) C4'-P energy: -97.653 bonds (distance) P-C4' energy: -109.367 flat angles C4'-P-C4' energy: -86.317 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -5.002 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: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2240.187239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.187239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.187239 (E_RNA) where: Base-Base interactions energy: -1548.443 where: short stacking energy: -660.325 Base-Backbone interact. energy: -5.199 local terms energy: -686.545816 where: bonds (distance) C4'-P energy: -120.850 bonds (distance) P-C4' energy: -116.839 flat angles C4'-P-C4' energy: -146.093 flat angles P-C4'-P energy: -105.674 tors. eta vs tors. theta energy: -197.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2157.708330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.708330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.708330 (E_RNA) where: Base-Base interactions energy: -1494.514 where: short stacking energy: -629.571 Base-Backbone interact. energy: -6.135 local terms energy: -657.059664 where: bonds (distance) C4'-P energy: -110.374 bonds (distance) P-C4' energy: -134.048 flat angles C4'-P-C4' energy: -139.798 flat angles P-C4'-P energy: -81.208 tors. eta vs tors. theta energy: -191.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2078.445255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.445255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.445255 (E_RNA) where: Base-Base interactions energy: -1421.264 where: short stacking energy: -630.171 Base-Backbone interact. energy: -2.631 local terms energy: -654.550082 where: bonds (distance) C4'-P energy: -115.561 bonds (distance) P-C4' energy: -106.904 flat angles C4'-P-C4' energy: -150.312 flat angles P-C4'-P energy: -89.480 tors. eta vs tors. theta energy: -192.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1878.554688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.554688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.554688 (E_RNA) where: Base-Base interactions energy: -1258.544 where: short stacking energy: -547.506 Base-Backbone interact. energy: -1.614 local terms energy: -618.396675 where: bonds (distance) C4'-P energy: -114.632 bonds (distance) P-C4' energy: -120.183 flat angles C4'-P-C4' energy: -134.102 flat angles P-C4'-P energy: -77.808 tors. eta vs tors. theta energy: -171.672 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: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1790.262518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.262518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.262518 (E_RNA) where: Base-Base interactions energy: -1227.607 where: short stacking energy: -518.201 Base-Backbone interact. energy: -2.145 local terms energy: -560.510865 where: bonds (distance) C4'-P energy: -101.161 bonds (distance) P-C4' energy: -122.475 flat angles C4'-P-C4' energy: -117.402 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -145.373 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: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1539.785197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.785197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.785197 (E_RNA) where: Base-Base interactions energy: -1007.061 where: short stacking energy: -435.410 Base-Backbone interact. energy: -1.909 local terms energy: -530.815823 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -113.838 flat angles C4'-P-C4' energy: -117.997 flat angles P-C4'-P energy: -76.501 tors. eta vs tors. theta energy: -102.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1275.227659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.227659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.227659 (E_RNA) where: Base-Base interactions energy: -803.627 where: short stacking energy: -348.269 Base-Backbone interact. energy: -0.588 local terms energy: -471.012643 where: bonds (distance) C4'-P energy: -95.397 bonds (distance) P-C4' energy: -123.808 flat angles C4'-P-C4' energy: -109.545 flat angles P-C4'-P energy: -71.804 tors. eta vs tors. theta energy: -70.459 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: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -940.069205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.069205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.069205 (E_RNA) where: Base-Base interactions energy: -520.821 where: short stacking energy: -255.914 Base-Backbone interact. energy: -1.591 local terms energy: -417.657751 where: bonds (distance) C4'-P energy: -120.053 bonds (distance) P-C4' energy: -112.107 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -73.834 tors. eta vs tors. theta energy: -14.639 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: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -730.277470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.277470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.277470 (E_RNA) where: Base-Base interactions energy: -362.471 where: short stacking energy: -216.780 Base-Backbone interact. energy: -2.466 local terms energy: -365.340627 where: bonds (distance) C4'-P energy: -102.617 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -651.384255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.384255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.384255 (E_RNA) where: Base-Base interactions energy: -330.200 where: short stacking energy: -195.482 Base-Backbone interact. energy: -2.393 local terms energy: -318.791343 where: bonds (distance) C4'-P energy: -100.759 bonds (distance) P-C4' energy: -109.289 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: 14.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2199.466957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.466957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.466957 (E_RNA) where: Base-Base interactions energy: -1502.396 where: short stacking energy: -664.365 Base-Backbone interact. energy: -2.860 local terms energy: -694.211170 where: bonds (distance) C4'-P energy: -136.939 bonds (distance) P-C4' energy: -126.118 flat angles C4'-P-C4' energy: -142.568 flat angles P-C4'-P energy: -91.261 tors. eta vs tors. theta energy: -197.325 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: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2115.655126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.655126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.655126 (E_RNA) where: Base-Base interactions energy: -1447.405 where: short stacking energy: -628.630 Base-Backbone interact. energy: 1.536 local terms energy: -669.786421 where: bonds (distance) C4'-P energy: -123.798 bonds (distance) P-C4' energy: -118.136 flat angles C4'-P-C4' energy: -146.672 flat angles P-C4'-P energy: -99.833 tors. eta vs tors. theta energy: -181.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2125.653770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.653770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.653770 (E_RNA) where: Base-Base interactions energy: -1472.967 where: short stacking energy: -622.200 Base-Backbone interact. energy: -2.719 local terms energy: -649.967443 where: bonds (distance) C4'-P energy: -102.693 bonds (distance) P-C4' energy: -128.534 flat angles C4'-P-C4' energy: -138.957 flat angles P-C4'-P energy: -84.565 tors. eta vs tors. theta energy: -195.218 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: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1887.681967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.681967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.681967 (E_RNA) where: Base-Base interactions energy: -1290.728 where: short stacking energy: -569.597 Base-Backbone interact. energy: -0.207 local terms energy: -596.747776 where: bonds (distance) C4'-P energy: -112.436 bonds (distance) P-C4' energy: -115.143 flat angles C4'-P-C4' energy: -144.984 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: -153.848 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: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1784.745248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.745248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.745248 (E_RNA) where: Base-Base interactions energy: -1245.575 where: short stacking energy: -534.005 Base-Backbone interact. energy: -3.942 local terms energy: -535.228631 where: bonds (distance) C4'-P energy: -93.528 bonds (distance) P-C4' energy: -116.031 flat angles C4'-P-C4' energy: -122.747 flat angles P-C4'-P energy: -71.269 tors. eta vs tors. theta energy: -131.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1534.881810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.881810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.881810 (E_RNA) where: Base-Base interactions energy: -1038.456 where: short stacking energy: -434.089 Base-Backbone interact. energy: -2.637 local terms energy: -493.788840 where: bonds (distance) C4'-P energy: -90.861 bonds (distance) P-C4' energy: -119.003 flat angles C4'-P-C4' energy: -110.285 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -98.282 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: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1268.122438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.122438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.122438 (E_RNA) where: Base-Base interactions energy: -791.344 where: short stacking energy: -349.440 Base-Backbone interact. energy: 2.636 local terms energy: -479.413747 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -101.501 flat angles C4'-P-C4' energy: -115.616 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -71.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -925.198729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.198729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.198729 (E_RNA) where: Base-Base interactions energy: -558.553 where: short stacking energy: -267.046 Base-Backbone interact. energy: 5.574 local terms energy: -372.219864 where: bonds (distance) C4'-P energy: -94.912 bonds (distance) P-C4' energy: -108.186 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -24.109 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: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -726.610713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.610713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.610713 (E_RNA) where: Base-Base interactions energy: -375.125 where: short stacking energy: -235.349 Base-Backbone interact. energy: 3.358 local terms energy: -354.844511 where: bonds (distance) C4'-P energy: -111.191 bonds (distance) P-C4' energy: -108.445 flat angles C4'-P-C4' energy: -70.842 flat angles P-C4'-P energy: -40.640 tors. eta vs tors. theta energy: -23.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -614.189494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.189494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.189494 (E_RNA) where: Base-Base interactions energy: -267.899 where: short stacking energy: -180.217 Base-Backbone interact. energy: -3.247 local terms energy: -343.043998 where: bonds (distance) C4'-P energy: -104.598 bonds (distance) P-C4' energy: -127.798 flat angles C4'-P-C4' energy: -77.810 flat angles P-C4'-P energy: -52.084 tors. eta vs tors. theta energy: 19.246 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: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2182.447320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.447320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.447320 (E_RNA) where: Base-Base interactions energy: -1496.733 where: short stacking energy: -635.517 Base-Backbone interact. energy: -4.165 local terms energy: -681.549286 where: bonds (distance) C4'-P energy: -123.733 bonds (distance) P-C4' energy: -124.141 flat angles C4'-P-C4' energy: -143.137 flat angles P-C4'-P energy: -100.151 tors. eta vs tors. theta energy: -190.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2099.611245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.611245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.611245 (E_RNA) where: Base-Base interactions energy: -1449.434 where: short stacking energy: -587.829 Base-Backbone interact. energy: 0.434 local terms energy: -650.611144 where: bonds (distance) C4'-P energy: -135.785 bonds (distance) P-C4' energy: -114.287 flat angles C4'-P-C4' energy: -131.247 flat angles P-C4'-P energy: -93.076 tors. eta vs tors. theta energy: -176.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2097.132345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.132345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.132345 (E_RNA) where: Base-Base interactions energy: -1421.108 where: short stacking energy: -610.205 Base-Backbone interact. energy: -3.858 local terms energy: -672.165878 where: bonds (distance) C4'-P energy: -110.994 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -135.327 flat angles P-C4'-P energy: -102.798 tors. eta vs tors. theta energy: -188.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1878.718370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.718370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.718370 (E_RNA) where: Base-Base interactions energy: -1292.155 where: short stacking energy: -552.683 Base-Backbone interact. energy: 0.359 local terms energy: -586.922315 where: bonds (distance) C4'-P energy: -112.207 bonds (distance) P-C4' energy: -112.360 flat angles C4'-P-C4' energy: -132.267 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -152.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1787.692263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.692263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.692263 (E_RNA) where: Base-Base interactions energy: -1238.185 where: short stacking energy: -524.923 Base-Backbone interact. energy: -2.916 local terms energy: -546.591697 where: bonds (distance) C4'-P energy: -89.626 bonds (distance) P-C4' energy: -105.978 flat angles C4'-P-C4' energy: -130.460 flat angles P-C4'-P energy: -83.441 tors. eta vs tors. theta energy: -137.087 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: 6, replica: 9 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1579.434236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.434236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.434236 (E_RNA) where: Base-Base interactions energy: -1032.779 where: short stacking energy: -470.814 Base-Backbone interact. energy: -2.309 local terms energy: -544.346977 where: bonds (distance) C4'-P energy: -116.544 bonds (distance) P-C4' energy: -115.314 flat angles C4'-P-C4' energy: -118.493 flat angles P-C4'-P energy: -64.321 tors. eta vs tors. theta energy: -129.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1224.028768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.028768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.028768 (E_RNA) where: Base-Base interactions energy: -754.763 where: short stacking energy: -363.826 Base-Backbone interact. energy: -2.427 local terms energy: -466.838199 where: bonds (distance) C4'-P energy: -90.424 bonds (distance) P-C4' energy: -122.202 flat angles C4'-P-C4' energy: -111.729 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -71.877 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: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -993.197145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.197145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.197145 (E_RNA) where: Base-Base interactions energy: -574.110 where: short stacking energy: -272.544 Base-Backbone interact. energy: 2.811 local terms energy: -421.897887 where: bonds (distance) C4'-P energy: -88.816 bonds (distance) P-C4' energy: -111.903 flat angles C4'-P-C4' energy: -112.829 flat angles P-C4'-P energy: -71.662 tors. eta vs tors. theta energy: -36.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -755.728443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.728443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.728443 (E_RNA) where: Base-Base interactions energy: -377.419 where: short stacking energy: -227.576 Base-Backbone interact. energy: -2.281 local terms energy: -376.028213 where: bonds (distance) C4'-P energy: -88.069 bonds (distance) P-C4' energy: -101.314 flat angles C4'-P-C4' energy: -104.641 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -12.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -630.354704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.354704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.354704 (E_RNA) where: Base-Base interactions energy: -290.948 where: short stacking energy: -160.873 Base-Backbone interact. energy: 1.016 local terms energy: -340.422439 where: bonds (distance) C4'-P energy: -103.554 bonds (distance) P-C4' energy: -104.270 flat angles C4'-P-C4' energy: -95.461 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: 9.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2207.376188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.376188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.376188 (E_RNA) where: Base-Base interactions energy: -1518.271 where: short stacking energy: -654.079 Base-Backbone interact. energy: -0.033 local terms energy: -689.071834 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -128.262 flat angles C4'-P-C4' energy: -145.742 flat angles P-C4'-P energy: -95.789 tors. eta vs tors. theta energy: -204.488 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: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2104.992753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.992753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.992753 (E_RNA) where: Base-Base interactions energy: -1422.624 where: short stacking energy: -622.479 Base-Backbone interact. energy: -0.461 local terms energy: -681.907726 where: bonds (distance) C4'-P energy: -123.637 bonds (distance) P-C4' energy: -124.727 flat angles C4'-P-C4' energy: -133.996 flat angles P-C4'-P energy: -111.160 tors. eta vs tors. theta energy: -188.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2120.157510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.157510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.157510 (E_RNA) where: Base-Base interactions energy: -1440.930 where: short stacking energy: -619.161 Base-Backbone interact. energy: -3.243 local terms energy: -675.983785 where: bonds (distance) C4'-P energy: -127.712 bonds (distance) P-C4' energy: -129.540 flat angles C4'-P-C4' energy: -130.870 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -188.395 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: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1917.228445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.228445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.228445 (E_RNA) where: Base-Base interactions energy: -1297.252 where: short stacking energy: -551.794 Base-Backbone interact. energy: -4.551 local terms energy: -615.426222 where: bonds (distance) C4'-P energy: -110.622 bonds (distance) P-C4' energy: -122.875 flat angles C4'-P-C4' energy: -125.692 flat angles P-C4'-P energy: -97.100 tors. eta vs tors. theta energy: -159.138 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: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1789.717273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.717273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.717273 (E_RNA) where: Base-Base interactions energy: -1211.083 where: short stacking energy: -540.738 Base-Backbone interact. energy: -0.371 local terms energy: -578.263154 where: bonds (distance) C4'-P energy: -108.930 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -129.533 flat angles P-C4'-P energy: -84.899 tors. eta vs tors. theta energy: -146.404 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: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1607.816942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.816942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.816942 (E_RNA) where: Base-Base interactions energy: -1076.167 where: short stacking energy: -486.093 Base-Backbone interact. energy: -1.134 local terms energy: -530.515847 where: bonds (distance) C4'-P energy: -112.185 bonds (distance) P-C4' energy: -102.667 flat angles C4'-P-C4' energy: -119.923 flat angles P-C4'-P energy: -69.241 tors. eta vs tors. theta energy: -126.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1189.178265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.178265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.178265 (E_RNA) where: Base-Base interactions energy: -726.463 where: short stacking energy: -356.929 Base-Backbone interact. energy: 0.581 local terms energy: -463.296484 where: bonds (distance) C4'-P energy: -92.781 bonds (distance) P-C4' energy: -115.803 flat angles C4'-P-C4' energy: -119.399 flat angles P-C4'-P energy: -68.279 tors. eta vs tors. theta energy: -67.034 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: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1000.295578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.295578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.295578 (E_RNA) where: Base-Base interactions energy: -594.466 where: short stacking energy: -278.761 Base-Backbone interact. energy: 5.429 local terms energy: -411.258857 where: bonds (distance) C4'-P energy: -97.956 bonds (distance) P-C4' energy: -113.117 flat angles C4'-P-C4' energy: -109.218 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -30.205 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: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -733.862404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.862404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.862404 (E_RNA) where: Base-Base interactions energy: -358.485 where: short stacking energy: -209.514 Base-Backbone interact. energy: -2.433 local terms energy: -372.943904 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -112.324 flat angles C4'-P-C4' energy: -92.873 flat angles P-C4'-P energy: -50.969 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -680.015659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.015659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.015659 (E_RNA) where: Base-Base interactions energy: -317.029 where: short stacking energy: -163.388 Base-Backbone interact. energy: 3.190 local terms energy: -366.176807 where: bonds (distance) C4'-P energy: -114.912 bonds (distance) P-C4' energy: -117.417 flat angles C4'-P-C4' energy: -94.549 flat angles P-C4'-P energy: -51.109 tors. eta vs tors. theta energy: 11.810 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2215.407829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.407829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.407829 (E_RNA) where: Base-Base interactions energy: -1512.501 where: short stacking energy: -667.176 Base-Backbone interact. energy: -1.342 local terms energy: -701.564414 where: bonds (distance) C4'-P energy: -115.634 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -152.725 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -204.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2127.944087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.944087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.944087 (E_RNA) where: Base-Base interactions energy: -1451.307 where: short stacking energy: -631.420 Base-Backbone interact. energy: -2.653 local terms energy: -673.983857 where: bonds (distance) C4'-P energy: -119.896 bonds (distance) P-C4' energy: -122.721 flat angles C4'-P-C4' energy: -142.878 flat angles P-C4'-P energy: -92.330 tors. eta vs tors. theta energy: -196.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2116.759788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.759788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.759788 (E_RNA) where: Base-Base interactions energy: -1442.853 where: short stacking energy: -611.870 Base-Backbone interact. energy: -3.033 local terms energy: -670.873569 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -130.689 flat angles C4'-P-C4' energy: -136.079 flat angles P-C4'-P energy: -92.605 tors. eta vs tors. theta energy: -192.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1887.153589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.153589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.153589 (E_RNA) where: Base-Base interactions energy: -1317.831 where: short stacking energy: -562.888 Base-Backbone interact. energy: -1.043 local terms energy: -568.278929 where: bonds (distance) C4'-P energy: -108.758 bonds (distance) P-C4' energy: -91.706 flat angles C4'-P-C4' energy: -120.985 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -163.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1826.148953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.148953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.148953 (E_RNA) where: Base-Base interactions energy: -1237.516 where: short stacking energy: -547.176 Base-Backbone interact. energy: 0.191 local terms energy: -588.823342 where: bonds (distance) C4'-P energy: -110.909 bonds (distance) P-C4' energy: -100.322 flat angles C4'-P-C4' energy: -126.785 flat angles P-C4'-P energy: -94.496 tors. eta vs tors. theta energy: -156.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1566.165395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.165395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.165395 (E_RNA) where: Base-Base interactions energy: -1019.638 where: short stacking energy: -482.914 Base-Backbone interact. energy: -0.288 local terms energy: -546.239063 where: bonds (distance) C4'-P energy: -113.576 bonds (distance) P-C4' energy: -116.602 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -83.071 tors. eta vs tors. theta energy: -112.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1229.032623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.032623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.032623 (E_RNA) where: Base-Base interactions energy: -765.965 where: short stacking energy: -367.168 Base-Backbone interact. energy: 5.913 local terms energy: -468.980933 where: bonds (distance) C4'-P energy: -101.716 bonds (distance) P-C4' energy: -119.386 flat angles C4'-P-C4' energy: -110.503 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -71.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -994.494731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.494731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.494731 (E_RNA) where: Base-Base interactions energy: -535.032 where: short stacking energy: -296.469 Base-Backbone interact. energy: -4.504 local terms energy: -454.958176 where: bonds (distance) C4'-P energy: -105.106 bonds (distance) P-C4' energy: -125.753 flat angles C4'-P-C4' energy: -100.745 flat angles P-C4'-P energy: -64.305 tors. eta vs tors. theta energy: -59.049 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: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -776.606883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.606883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.606883 (E_RNA) where: Base-Base interactions energy: -398.421 where: short stacking energy: -223.717 Base-Backbone interact. energy: -1.814 local terms energy: -376.371745 where: bonds (distance) C4'-P energy: -106.591 bonds (distance) P-C4' energy: -121.285 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -13.604 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: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -605.866110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.866110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.866110 (E_RNA) where: Base-Base interactions energy: -260.813 where: short stacking energy: -164.512 Base-Backbone interact. energy: 4.007 local terms energy: -349.060199 where: bonds (distance) C4'-P energy: -94.066 bonds (distance) P-C4' energy: -97.411 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -62.201 tors. eta vs tors. theta energy: 4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2223.057230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.057230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.057230 (E_RNA) where: Base-Base interactions energy: -1518.836 where: short stacking energy: -648.823 Base-Backbone interact. energy: -2.623 local terms energy: -701.598157 where: bonds (distance) C4'-P energy: -138.189 bonds (distance) P-C4' energy: -124.897 flat angles C4'-P-C4' energy: -147.613 flat angles P-C4'-P energy: -94.264 tors. eta vs tors. theta energy: -196.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2148.356580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.356580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.356580 (E_RNA) where: Base-Base interactions energy: -1497.891 where: short stacking energy: -610.243 Base-Backbone interact. energy: -1.854 local terms energy: -648.611412 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -107.557 flat angles C4'-P-C4' energy: -139.221 flat angles P-C4'-P energy: -85.389 tors. eta vs tors. theta energy: -198.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2073.990721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.990721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.990721 (E_RNA) where: Base-Base interactions energy: -1412.677 where: short stacking energy: -619.759 Base-Backbone interact. energy: -3.513 local terms energy: -657.800487 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -133.135 flat angles C4'-P-C4' energy: -129.428 flat angles P-C4'-P energy: -94.616 tors. eta vs tors. theta energy: -186.177 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: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1909.395140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.395140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.395140 (E_RNA) where: Base-Base interactions energy: -1309.647 where: short stacking energy: -549.728 Base-Backbone interact. energy: -4.071 local terms energy: -595.677312 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -113.589 flat angles C4'-P-C4' energy: -126.850 flat angles P-C4'-P energy: -92.642 tors. eta vs tors. theta energy: -146.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1816.842967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.842967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.842967 (E_RNA) where: Base-Base interactions energy: -1235.147 where: short stacking energy: -538.829 Base-Backbone interact. energy: 0.053 local terms energy: -581.749337 where: bonds (distance) C4'-P energy: -117.392 bonds (distance) P-C4' energy: -114.833 flat angles C4'-P-C4' energy: -131.233 flat angles P-C4'-P energy: -64.461 tors. eta vs tors. theta energy: -153.830 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: 9 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1606.027807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.027807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.027807 (E_RNA) where: Base-Base interactions energy: -1077.832 where: short stacking energy: -474.934 Base-Backbone interact. energy: -0.092 local terms energy: -528.104293 where: bonds (distance) C4'-P energy: -96.137 bonds (distance) P-C4' energy: -112.917 flat angles C4'-P-C4' energy: -117.991 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -125.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1252.950854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.950854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.950854 (E_RNA) where: Base-Base interactions energy: -780.275 where: short stacking energy: -379.770 Base-Backbone interact. energy: 7.337 local terms energy: -480.013256 where: bonds (distance) C4'-P energy: -102.867 bonds (distance) P-C4' energy: -114.590 flat angles C4'-P-C4' energy: -125.369 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: -70.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1044.496955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.496955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.496955 (E_RNA) where: Base-Base interactions energy: -608.208 where: short stacking energy: -298.304 Base-Backbone interact. energy: -1.325 local terms energy: -434.964366 where: bonds (distance) C4'-P energy: -105.933 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -106.182 flat angles P-C4'-P energy: -69.445 tors. eta vs tors. theta energy: -42.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -740.391167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.391167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.391167 (E_RNA) where: Base-Base interactions energy: -372.857 where: short stacking energy: -208.855 Base-Backbone interact. energy: -2.551 local terms energy: -364.983046 where: bonds (distance) C4'-P energy: -102.867 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -99.050 flat angles P-C4'-P energy: -42.211 tors. eta vs tors. theta energy: -10.269 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: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -636.467382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.467382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.467382 (E_RNA) where: Base-Base interactions energy: -304.312 where: short stacking energy: -201.179 Base-Backbone interact. energy: 3.664 local terms energy: -335.819482 where: bonds (distance) C4'-P energy: -107.874 bonds (distance) P-C4' energy: -115.379 flat angles C4'-P-C4' energy: -86.332 flat angles P-C4'-P energy: -46.181 tors. eta vs tors. theta energy: 19.947 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: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2216.837255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.837255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.837255 (E_RNA) where: Base-Base interactions energy: -1500.668 where: short stacking energy: -652.390 Base-Backbone interact. energy: -3.106 local terms energy: -713.063844 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -133.388 flat angles C4'-P-C4' energy: -145.551 flat angles P-C4'-P energy: -103.447 tors. eta vs tors. theta energy: -204.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2165.221304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.221304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.221304 (E_RNA) where: Base-Base interactions energy: -1465.564 where: short stacking energy: -617.838 Base-Backbone interact. energy: -5.429 local terms energy: -694.228168 where: bonds (distance) C4'-P energy: -125.508 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -143.572 flat angles P-C4'-P energy: -97.897 tors. eta vs tors. theta energy: -195.595 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: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2028.886632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.886632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.886632 (E_RNA) where: Base-Base interactions energy: -1404.003 where: short stacking energy: -598.036 Base-Backbone interact. energy: -2.005 local terms energy: -622.878822 where: bonds (distance) C4'-P energy: -111.566 bonds (distance) P-C4' energy: -127.345 flat angles C4'-P-C4' energy: -134.382 flat angles P-C4'-P energy: -78.448 tors. eta vs tors. theta energy: -171.138 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: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1938.573890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.573890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.573890 (E_RNA) where: Base-Base interactions energy: -1349.252 where: short stacking energy: -575.141 Base-Backbone interact. energy: -0.091 local terms energy: -589.231076 where: bonds (distance) C4'-P energy: -130.318 bonds (distance) P-C4' energy: -102.759 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -75.711 tors. eta vs tors. theta energy: -154.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1781.061404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.061404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.061404 (E_RNA) where: Base-Base interactions energy: -1221.228 where: short stacking energy: -519.914 Base-Backbone interact. energy: -0.096 local terms energy: -559.736936 where: bonds (distance) C4'-P energy: -97.289 bonds (distance) P-C4' energy: -112.734 flat angles C4'-P-C4' energy: -128.470 flat angles P-C4'-P energy: -72.004 tors. eta vs tors. theta energy: -149.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1571.860671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.860671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.860671 (E_RNA) where: Base-Base interactions energy: -1028.732 where: short stacking energy: -462.967 Base-Backbone interact. energy: -1.921 local terms energy: -541.207753 where: bonds (distance) C4'-P energy: -108.950 bonds (distance) P-C4' energy: -107.134 flat angles C4'-P-C4' energy: -121.208 flat angles P-C4'-P energy: -73.999 tors. eta vs tors. theta energy: -129.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1234.105127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.105127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.105127 (E_RNA) where: Base-Base interactions energy: -763.276 where: short stacking energy: -358.848 Base-Backbone interact. energy: -0.182 local terms energy: -470.647866 where: bonds (distance) C4'-P energy: -100.090 bonds (distance) P-C4' energy: -113.970 flat angles C4'-P-C4' energy: -98.784 flat angles P-C4'-P energy: -79.315 tors. eta vs tors. theta energy: -78.489 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: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1081.041683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.041683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.041683 (E_RNA) where: Base-Base interactions energy: -665.933 where: short stacking energy: -315.388 Base-Backbone interact. energy: -0.376 local terms energy: -414.733110 where: bonds (distance) C4'-P energy: -88.618 bonds (distance) P-C4' energy: -114.323 flat angles C4'-P-C4' energy: -107.620 flat angles P-C4'-P energy: -57.027 tors. eta vs tors. theta energy: -47.145 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: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -709.042532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.042532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.042532 (E_RNA) where: Base-Base interactions energy: -366.803 where: short stacking energy: -195.264 Base-Backbone interact. energy: -2.042 local terms energy: -340.197374 where: bonds (distance) C4'-P energy: -95.731 bonds (distance) P-C4' energy: -96.679 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -60.980 tors. eta vs tors. theta energy: 5.465 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: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -579.487173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.487173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.487173 (E_RNA) where: Base-Base interactions energy: -260.473 where: short stacking energy: -156.419 Base-Backbone interact. energy: 6.886 local terms energy: -325.900019 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -57.145 tors. eta vs tors. theta energy: 26.514 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: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2214.910740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.910740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.910740 (E_RNA) where: Base-Base interactions energy: -1529.234 where: short stacking energy: -668.653 Base-Backbone interact. energy: 1.042 local terms energy: -686.719029 where: bonds (distance) C4'-P energy: -116.851 bonds (distance) P-C4' energy: -133.075 flat angles C4'-P-C4' energy: -139.489 flat angles P-C4'-P energy: -94.960 tors. eta vs tors. theta energy: -202.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2178.303924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.303924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.303924 (E_RNA) where: Base-Base interactions energy: -1508.584 where: short stacking energy: -650.280 Base-Backbone interact. energy: -3.100 local terms energy: -666.619713 where: bonds (distance) C4'-P energy: -113.740 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -150.888 flat angles P-C4'-P energy: -97.108 tors. eta vs tors. theta energy: -198.084 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: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2014.134286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.134286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.134286 (E_RNA) where: Base-Base interactions energy: -1400.061 where: short stacking energy: -606.595 Base-Backbone interact. energy: -1.417 local terms energy: -612.656080 where: bonds (distance) C4'-P energy: -107.309 bonds (distance) P-C4' energy: -107.511 flat angles C4'-P-C4' energy: -137.410 flat angles P-C4'-P energy: -92.399 tors. eta vs tors. theta energy: -168.027 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: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1946.109082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.109082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.109082 (E_RNA) where: Base-Base interactions energy: -1329.842 where: short stacking energy: -584.620 Base-Backbone interact. energy: -4.034 local terms energy: -612.233286 where: bonds (distance) C4'-P energy: -111.105 bonds (distance) P-C4' energy: -113.947 flat angles C4'-P-C4' energy: -143.281 flat angles P-C4'-P energy: -85.501 tors. eta vs tors. theta energy: -158.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1764.917718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.917718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.917718 (E_RNA) where: Base-Base interactions energy: -1203.340 where: short stacking energy: -525.516 Base-Backbone interact. energy: 4.825 local terms energy: -566.403201 where: bonds (distance) C4'-P energy: -112.816 bonds (distance) P-C4' energy: -104.553 flat angles C4'-P-C4' energy: -127.125 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -142.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1565.163223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.163223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.163223 (E_RNA) where: Base-Base interactions energy: -1046.572 where: short stacking energy: -440.011 Base-Backbone interact. energy: 3.671 local terms energy: -522.262889 where: bonds (distance) C4'-P energy: -112.340 bonds (distance) P-C4' energy: -108.144 flat angles C4'-P-C4' energy: -114.494 flat angles P-C4'-P energy: -67.024 tors. eta vs tors. theta energy: -120.261 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: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1230.957392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.957392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.957392 (E_RNA) where: Base-Base interactions energy: -770.880 where: short stacking energy: -350.851 Base-Backbone interact. energy: -1.924 local terms energy: -458.153823 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -125.804 flat angles C4'-P-C4' energy: -104.592 flat angles P-C4'-P energy: -62.799 tors. eta vs tors. theta energy: -67.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1043.272031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.272031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.272031 (E_RNA) where: Base-Base interactions energy: -613.353 where: short stacking energy: -307.401 Base-Backbone interact. energy: -1.633 local terms energy: -428.286484 where: bonds (distance) C4'-P energy: -85.552 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -94.297 flat angles P-C4'-P energy: -73.579 tors. eta vs tors. theta energy: -49.324 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: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -732.462348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.462348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.462348 (E_RNA) where: Base-Base interactions energy: -411.640 where: short stacking energy: -226.780 Base-Backbone interact. energy: -0.545 local terms energy: -320.277700 where: bonds (distance) C4'-P energy: -89.134 bonds (distance) P-C4' energy: -98.863 flat angles C4'-P-C4' energy: -82.790 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -607.230569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.230569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.230569 (E_RNA) where: Base-Base interactions energy: -313.983 where: short stacking energy: -189.361 Base-Backbone interact. energy: -0.266 local terms energy: -292.981947 where: bonds (distance) C4'-P energy: -80.965 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -70.672 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: 4.840 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: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2192.935092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.935092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.935092 (E_RNA) where: Base-Base interactions energy: -1495.306 where: short stacking energy: -627.823 Base-Backbone interact. energy: -4.778 local terms energy: -692.851140 where: bonds (distance) C4'-P energy: -132.394 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -137.484 flat angles P-C4'-P energy: -98.601 tors. eta vs tors. theta energy: -190.912 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: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2182.357254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.357254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.357254 (E_RNA) where: Base-Base interactions energy: -1499.479 where: short stacking energy: -651.596 Base-Backbone interact. energy: -2.325 local terms energy: -680.552988 where: bonds (distance) C4'-P energy: -127.455 bonds (distance) P-C4' energy: -125.624 flat angles C4'-P-C4' energy: -136.820 flat angles P-C4'-P energy: -92.542 tors. eta vs tors. theta energy: -198.112 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: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2054.595176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.595176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.595176 (E_RNA) where: Base-Base interactions energy: -1403.007 where: short stacking energy: -592.982 Base-Backbone interact. energy: -3.286 local terms energy: -648.302358 where: bonds (distance) C4'-P energy: -121.542 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -141.006 flat angles P-C4'-P energy: -90.663 tors. eta vs tors. theta energy: -170.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1955.440862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.440862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.440862 (E_RNA) where: Base-Base interactions energy: -1368.876 where: short stacking energy: -586.740 Base-Backbone interact. energy: 2.033 local terms energy: -588.597711 where: bonds (distance) C4'-P energy: -104.435 bonds (distance) P-C4' energy: -111.208 flat angles C4'-P-C4' energy: -134.885 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: -165.231 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: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1753.363470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.363470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.363470 (E_RNA) where: Base-Base interactions energy: -1189.869 where: short stacking energy: -532.626 Base-Backbone interact. energy: -1.578 local terms energy: -561.916065 where: bonds (distance) C4'-P energy: -91.233 bonds (distance) P-C4' energy: -108.088 flat angles C4'-P-C4' energy: -141.082 flat angles P-C4'-P energy: -86.562 tors. eta vs tors. theta energy: -134.952 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: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1583.602443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.602443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.602443 (E_RNA) where: Base-Base interactions energy: -1032.243 where: short stacking energy: -470.054 Base-Backbone interact. energy: 0.405 local terms energy: -551.764690 where: bonds (distance) C4'-P energy: -114.771 bonds (distance) P-C4' energy: -116.562 flat angles C4'-P-C4' energy: -133.090 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -100.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1250.083593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.083593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.083593 (E_RNA) where: Base-Base interactions energy: -766.868 where: short stacking energy: -373.736 Base-Backbone interact. energy: -0.917 local terms energy: -482.297930 where: bonds (distance) C4'-P energy: -107.736 bonds (distance) P-C4' energy: -120.086 flat angles C4'-P-C4' energy: -119.490 flat angles P-C4'-P energy: -65.089 tors. eta vs tors. theta energy: -69.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -938.985418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.985418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.985418 (E_RNA) where: Base-Base interactions energy: -522.414 where: short stacking energy: -247.310 Base-Backbone interact. energy: 0.142 local terms energy: -416.713592 where: bonds (distance) C4'-P energy: -106.478 bonds (distance) P-C4' energy: -108.083 flat angles C4'-P-C4' energy: -101.580 flat angles P-C4'-P energy: -67.641 tors. eta vs tors. theta energy: -32.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -767.039542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.039542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.039542 (E_RNA) where: Base-Base interactions energy: -405.183 where: short stacking energy: -199.739 Base-Backbone interact. energy: -2.069 local terms energy: -359.787252 where: bonds (distance) C4'-P energy: -98.685 bonds (distance) P-C4' energy: -118.126 flat angles C4'-P-C4' energy: -77.791 flat angles P-C4'-P energy: -61.180 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -620.021281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.021281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.021281 (E_RNA) where: Base-Base interactions energy: -311.078 where: short stacking energy: -186.833 Base-Backbone interact. energy: 3.871 local terms energy: -312.813753 where: bonds (distance) C4'-P energy: -98.946 bonds (distance) P-C4' energy: -90.189 flat angles C4'-P-C4' energy: -97.141 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: 18.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2233.225933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.225933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.225933 (E_RNA) where: Base-Base interactions energy: -1543.110 where: short stacking energy: -637.085 Base-Backbone interact. energy: -2.944 local terms energy: -687.171843 where: bonds (distance) C4'-P energy: -111.393 bonds (distance) P-C4' energy: -134.026 flat angles C4'-P-C4' energy: -146.709 flat angles P-C4'-P energy: -100.358 tors. eta vs tors. theta energy: -194.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2185.290942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.290942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.290942 (E_RNA) where: Base-Base interactions energy: -1506.021 where: short stacking energy: -659.920 Base-Backbone interact. energy: -3.902 local terms energy: -675.367657 where: bonds (distance) C4'-P energy: -129.340 bonds (distance) P-C4' energy: -120.477 flat angles C4'-P-C4' energy: -143.292 flat angles P-C4'-P energy: -81.061 tors. eta vs tors. theta energy: -201.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2046.963928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.963928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.963928 (E_RNA) where: Base-Base interactions energy: -1411.424 where: short stacking energy: -626.406 Base-Backbone interact. energy: -4.706 local terms energy: -630.834551 where: bonds (distance) C4'-P energy: -102.375 bonds (distance) P-C4' energy: -114.048 flat angles C4'-P-C4' energy: -141.686 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -175.958 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: 483 Temperature: 1.050000 Total energy: -1942.264759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.264759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.264759 (E_RNA) where: Base-Base interactions energy: -1331.055 where: short stacking energy: -548.030 Base-Backbone interact. energy: -4.318 local terms energy: -606.891153 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -113.834 flat angles C4'-P-C4' energy: -134.443 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -156.825 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: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1748.388181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.388181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.388181 (E_RNA) where: Base-Base interactions energy: -1194.342 where: short stacking energy: -529.342 Base-Backbone interact. energy: -2.725 local terms energy: -551.320993 where: bonds (distance) C4'-P energy: -109.339 bonds (distance) P-C4' energy: -121.305 flat angles C4'-P-C4' energy: -104.779 flat angles P-C4'-P energy: -79.794 tors. eta vs tors. theta energy: -136.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1495.166297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.166297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.166297 (E_RNA) where: Base-Base interactions energy: -964.028 where: short stacking energy: -471.726 Base-Backbone interact. energy: 2.828 local terms energy: -533.966259 where: bonds (distance) C4'-P energy: -95.274 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -125.013 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -117.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1252.037051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.037051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.037051 (E_RNA) where: Base-Base interactions energy: -765.673 where: short stacking energy: -356.977 Base-Backbone interact. energy: 0.082 local terms energy: -486.446493 where: bonds (distance) C4'-P energy: -115.732 bonds (distance) P-C4' energy: -105.430 flat angles C4'-P-C4' energy: -100.944 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: -82.675 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: 8, replica: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -964.270363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.270363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.270363 (E_RNA) where: Base-Base interactions energy: -533.218 where: short stacking energy: -290.996 Base-Backbone interact. energy: -3.038 local terms energy: -428.014373 where: bonds (distance) C4'-P energy: -93.319 bonds (distance) P-C4' energy: -111.631 flat angles C4'-P-C4' energy: -97.925 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -39.954 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: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -711.484775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.484775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.484775 (E_RNA) where: Base-Base interactions energy: -327.565 where: short stacking energy: -182.616 Base-Backbone interact. energy: -1.456 local terms energy: -382.463882 where: bonds (distance) C4'-P energy: -98.496 bonds (distance) P-C4' energy: -112.702 flat angles C4'-P-C4' energy: -110.659 flat angles P-C4'-P energy: -55.588 tors. eta vs tors. theta energy: -5.019 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: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -594.094501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.094501 (E_RNA) where: Base-Base interactions energy: -262.074 where: short stacking energy: -143.703 Base-Backbone interact. energy: 1.059 local terms energy: -333.079672 where: bonds (distance) C4'-P energy: -124.114 bonds (distance) P-C4' energy: -104.313 flat angles C4'-P-C4' energy: -82.750 flat angles P-C4'-P energy: -47.350 tors. eta vs tors. theta energy: 25.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2251.311667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.311667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.311667 (E_RNA) where: Base-Base interactions energy: -1541.140 where: short stacking energy: -627.280 Base-Backbone interact. energy: -7.245 local terms energy: -702.926393 where: bonds (distance) C4'-P energy: -122.484 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -104.048 tors. eta vs tors. theta energy: -192.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2197.452375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.452375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.452375 (E_RNA) where: Base-Base interactions energy: -1521.891 where: short stacking energy: -653.876 Base-Backbone interact. energy: -1.555 local terms energy: -674.006054 where: bonds (distance) C4'-P energy: -120.646 bonds (distance) P-C4' energy: -116.023 flat angles C4'-P-C4' energy: -154.092 flat angles P-C4'-P energy: -85.192 tors. eta vs tors. theta energy: -198.053 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: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2029.566088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.566088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.566088 (E_RNA) where: Base-Base interactions energy: -1383.395 where: short stacking energy: -602.858 Base-Backbone interact. energy: 0.501 local terms energy: -646.672538 where: bonds (distance) C4'-P energy: -115.530 bonds (distance) P-C4' energy: -111.432 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -194.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1946.727412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.727412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.727412 (E_RNA) where: Base-Base interactions energy: -1348.031 where: short stacking energy: -563.779 Base-Backbone interact. energy: 2.125 local terms energy: -600.821585 where: bonds (distance) C4'-P energy: -100.728 bonds (distance) P-C4' energy: -100.769 flat angles C4'-P-C4' energy: -134.992 flat angles P-C4'-P energy: -98.380 tors. eta vs tors. theta energy: -165.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1748.526642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.526642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.526642 (E_RNA) where: Base-Base interactions energy: -1192.246 where: short stacking energy: -526.759 Base-Backbone interact. energy: 3.085 local terms energy: -559.366546 where: bonds (distance) C4'-P energy: -107.639 bonds (distance) P-C4' energy: -117.979 flat angles C4'-P-C4' energy: -128.567 flat angles P-C4'-P energy: -67.343 tors. eta vs tors. theta energy: -137.838 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: 6, replica: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1494.781186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.781186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.781186 (E_RNA) where: Base-Base interactions energy: -976.037 where: short stacking energy: -425.045 Base-Backbone interact. energy: 0.585 local terms energy: -519.328516 where: bonds (distance) C4'-P energy: -109.416 bonds (distance) P-C4' energy: -133.888 flat angles C4'-P-C4' energy: -114.795 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: -87.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1263.795431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.795431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.795431 (E_RNA) where: Base-Base interactions energy: -798.822 where: short stacking energy: -375.313 Base-Backbone interact. energy: -2.273 local terms energy: -462.700652 where: bonds (distance) C4'-P energy: -99.344 bonds (distance) P-C4' energy: -108.034 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -71.033 tors. eta vs tors. theta energy: -79.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -969.618657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.618657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.618657 (E_RNA) where: Base-Base interactions energy: -542.878 where: short stacking energy: -276.832 Base-Backbone interact. energy: -0.485 local terms energy: -426.256105 where: bonds (distance) C4'-P energy: -82.384 bonds (distance) P-C4' energy: -114.009 flat angles C4'-P-C4' energy: -112.368 flat angles P-C4'-P energy: -79.096 tors. eta vs tors. theta energy: -38.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -736.776600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.776600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.776600 (E_RNA) where: Base-Base interactions energy: -366.920 where: short stacking energy: -169.813 Base-Backbone interact. energy: 0.800 local terms energy: -370.656177 where: bonds (distance) C4'-P energy: -100.137 bonds (distance) P-C4' energy: -122.676 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: 5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -598.927098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.927098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.927098 (E_RNA) where: Base-Base interactions energy: -303.351 where: short stacking energy: -192.601 Base-Backbone interact. energy: -1.896 local terms energy: -293.680591 where: bonds (distance) C4'-P energy: -87.666 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -61.260 flat angles P-C4'-P energy: -50.020 tors. eta vs tors. theta energy: 15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2247.954744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.954744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.954744 (E_RNA) where: Base-Base interactions energy: -1553.435 where: short stacking energy: -680.512 Base-Backbone interact. energy: -3.821 local terms energy: -690.698503 where: bonds (distance) C4'-P energy: -126.770 bonds (distance) P-C4' energy: -126.039 flat angles C4'-P-C4' energy: -137.432 flat angles P-C4'-P energy: -99.175 tors. eta vs tors. theta energy: -201.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2173.115889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.115889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.115889 (E_RNA) where: Base-Base interactions energy: -1467.887 where: short stacking energy: -659.492 Base-Backbone interact. energy: -2.967 local terms energy: -702.261443 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -129.735 flat angles C4'-P-C4' energy: -142.981 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -196.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2007.131337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.131337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.131337 (E_RNA) where: Base-Base interactions energy: -1342.979 where: short stacking energy: -591.855 Base-Backbone interact. energy: -0.120 local terms energy: -664.031699 where: bonds (distance) C4'-P energy: -124.633 bonds (distance) P-C4' energy: -123.453 flat angles C4'-P-C4' energy: -135.623 flat angles P-C4'-P energy: -102.447 tors. eta vs tors. theta energy: -177.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1917.882530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.882530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.882530 (E_RNA) where: Base-Base interactions energy: -1324.077 where: short stacking energy: -551.949 Base-Backbone interact. energy: -0.547 local terms energy: -593.259201 where: bonds (distance) C4'-P energy: -102.608 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -131.366 flat angles P-C4'-P energy: -81.067 tors. eta vs tors. theta energy: -157.633 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: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1761.317393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.317393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.317393 (E_RNA) where: Base-Base interactions energy: -1191.919 where: short stacking energy: -524.611 Base-Backbone interact. energy: -0.614 local terms energy: -568.784519 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -110.936 flat angles C4'-P-C4' energy: -131.785 flat angles P-C4'-P energy: -78.544 tors. eta vs tors. theta energy: -140.347 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: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1528.307308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.307308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.307308 (E_RNA) where: Base-Base interactions energy: -994.420 where: short stacking energy: -443.277 Base-Backbone interact. energy: 0.989 local terms energy: -534.875614 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -127.505 flat angles C4'-P-C4' energy: -134.509 flat angles P-C4'-P energy: -62.679 tors. eta vs tors. theta energy: -95.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1270.903233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.903233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.903233 (E_RNA) where: Base-Base interactions energy: -801.552 where: short stacking energy: -368.171 Base-Backbone interact. energy: 0.233 local terms energy: -469.584054 where: bonds (distance) C4'-P energy: -127.573 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -98.794 flat angles P-C4'-P energy: -61.636 tors. eta vs tors. theta energy: -72.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1020.721984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.721984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.721984 (E_RNA) where: Base-Base interactions energy: -618.619 where: short stacking energy: -281.881 Base-Backbone interact. energy: -0.794 local terms energy: -401.308885 where: bonds (distance) C4'-P energy: -108.389 bonds (distance) P-C4' energy: -105.724 flat angles C4'-P-C4' energy: -89.706 flat angles P-C4'-P energy: -66.390 tors. eta vs tors. theta energy: -31.100 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: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -715.066910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.066910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.066910 (E_RNA) where: Base-Base interactions energy: -371.403 where: short stacking energy: -199.833 Base-Backbone interact. energy: 0.145 local terms energy: -343.808448 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -97.129 flat angles C4'-P-C4' energy: -89.356 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: 7.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -596.484007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.484007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.484007 (E_RNA) where: Base-Base interactions energy: -251.330 where: short stacking energy: -186.826 Base-Backbone interact. energy: -2.166 local terms energy: -342.988837 where: bonds (distance) C4'-P energy: -122.933 bonds (distance) P-C4' energy: -115.795 flat angles C4'-P-C4' energy: -66.922 flat angles P-C4'-P energy: -50.546 tors. eta vs tors. theta energy: 13.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2220.010351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.010351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.010351 (E_RNA) where: Base-Base interactions energy: -1532.526 where: short stacking energy: -644.466 Base-Backbone interact. energy: -4.468 local terms energy: -683.015995 where: bonds (distance) C4'-P energy: -114.103 bonds (distance) P-C4' energy: -115.972 flat angles C4'-P-C4' energy: -144.779 flat angles P-C4'-P energy: -103.278 tors. eta vs tors. theta energy: -204.885 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: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2178.694714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.694714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.694714 (E_RNA) where: Base-Base interactions energy: -1530.529 where: short stacking energy: -660.111 Base-Backbone interact. energy: -2.522 local terms energy: -645.643613 where: bonds (distance) C4'-P energy: -97.033 bonds (distance) P-C4' energy: -120.669 flat angles C4'-P-C4' energy: -139.238 flat angles P-C4'-P energy: -89.673 tors. eta vs tors. theta energy: -199.031 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: 3, replica: 6 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2035.814211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.814211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.814211 (E_RNA) where: Base-Base interactions energy: -1367.173 where: short stacking energy: -598.872 Base-Backbone interact. energy: -2.581 local terms energy: -666.060203 where: bonds (distance) C4'-P energy: -119.346 bonds (distance) P-C4' energy: -122.081 flat angles C4'-P-C4' energy: -148.757 flat angles P-C4'-P energy: -90.684 tors. eta vs tors. theta energy: -185.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1908.442450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.442450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.442450 (E_RNA) where: Base-Base interactions energy: -1304.051 where: short stacking energy: -550.087 Base-Backbone interact. energy: -4.469 local terms energy: -599.922732 where: bonds (distance) C4'-P energy: -115.493 bonds (distance) P-C4' energy: -111.148 flat angles C4'-P-C4' energy: -119.318 flat angles P-C4'-P energy: -87.613 tors. eta vs tors. theta energy: -166.351 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: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1751.579376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.579376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.579376 (E_RNA) where: Base-Base interactions energy: -1182.445 where: short stacking energy: -511.919 Base-Backbone interact. energy: 5.289 local terms energy: -574.423220 where: bonds (distance) C4'-P energy: -126.017 bonds (distance) P-C4' energy: -110.584 flat angles C4'-P-C4' energy: -118.004 flat angles P-C4'-P energy: -74.963 tors. eta vs tors. theta energy: -144.855 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: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1538.464705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.464705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.464705 (E_RNA) where: Base-Base interactions energy: -1011.314 where: short stacking energy: -476.511 Base-Backbone interact. energy: -1.962 local terms energy: -525.189060 where: bonds (distance) C4'-P energy: -103.108 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -111.389 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -133.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1292.278271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.278271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.278271 (E_RNA) where: Base-Base interactions energy: -829.201 where: short stacking energy: -393.427 Base-Backbone interact. energy: 3.431 local terms energy: -466.508154 where: bonds (distance) C4'-P energy: -101.164 bonds (distance) P-C4' energy: -107.592 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -71.222 tors. eta vs tors. theta energy: -72.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1022.239018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.239018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.239018 (E_RNA) where: Base-Base interactions energy: -596.376 where: short stacking energy: -280.349 Base-Backbone interact. energy: -0.987 local terms energy: -424.875756 where: bonds (distance) C4'-P energy: -107.418 bonds (distance) P-C4' energy: -114.517 flat angles C4'-P-C4' energy: -100.513 flat angles P-C4'-P energy: -60.816 tors. eta vs tors. theta energy: -41.611 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: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -655.590914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.590914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.590914 (E_RNA) where: Base-Base interactions energy: -283.348 where: short stacking energy: -180.306 Base-Backbone interact. energy: -0.179 local terms energy: -372.063932 where: bonds (distance) C4'-P energy: -105.180 bonds (distance) P-C4' energy: -118.167 flat angles C4'-P-C4' energy: -76.762 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -14.061 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: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -586.894059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.894059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.894059 (E_RNA) where: Base-Base interactions energy: -288.394 where: short stacking energy: -175.178 Base-Backbone interact. energy: 0.922 local terms energy: -299.422035 where: bonds (distance) C4'-P energy: -74.288 bonds (distance) P-C4' energy: -121.405 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -50.527 tors. eta vs tors. theta energy: 13.947 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: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2224.732139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.732139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.732139 (E_RNA) where: Base-Base interactions energy: -1525.788 where: short stacking energy: -668.860 Base-Backbone interact. energy: -2.123 local terms energy: -696.821434 where: bonds (distance) C4'-P energy: -116.703 bonds (distance) P-C4' energy: -138.116 flat angles C4'-P-C4' energy: -155.471 flat angles P-C4'-P energy: -90.097 tors. eta vs tors. theta energy: -196.435 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: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2206.320167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.320167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.320167 (E_RNA) where: Base-Base interactions energy: -1526.806 where: short stacking energy: -667.493 Base-Backbone interact. energy: -2.363 local terms energy: -677.150975 where: bonds (distance) C4'-P energy: -118.311 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -140.753 flat angles P-C4'-P energy: -91.234 tors. eta vs tors. theta energy: -195.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2029.610972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.610972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.610972 (E_RNA) where: Base-Base interactions energy: -1416.842 where: short stacking energy: -592.920 Base-Backbone interact. energy: 0.315 local terms energy: -613.083548 where: bonds (distance) C4'-P energy: -104.431 bonds (distance) P-C4' energy: -103.133 flat angles C4'-P-C4' energy: -147.017 flat angles P-C4'-P energy: -92.485 tors. eta vs tors. theta energy: -166.017 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: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1848.894717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.894717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.894717 (E_RNA) where: Base-Base interactions energy: -1248.927 where: short stacking energy: -544.466 Base-Backbone interact. energy: 1.214 local terms energy: -601.182190 where: bonds (distance) C4'-P energy: -108.246 bonds (distance) P-C4' energy: -129.399 flat angles C4'-P-C4' energy: -121.745 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: -151.632 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: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1730.857168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.857168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.857168 (E_RNA) where: Base-Base interactions energy: -1167.675 where: short stacking energy: -498.756 Base-Backbone interact. energy: -2.564 local terms energy: -560.617786 where: bonds (distance) C4'-P energy: -109.079 bonds (distance) P-C4' energy: -122.749 flat angles C4'-P-C4' energy: -114.368 flat angles P-C4'-P energy: -65.203 tors. eta vs tors. theta energy: -149.218 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: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1555.104748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.104748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.104748 (E_RNA) where: Base-Base interactions energy: -1029.348 where: short stacking energy: -445.840 Base-Backbone interact. energy: 3.718 local terms energy: -529.475237 where: bonds (distance) C4'-P energy: -99.049 bonds (distance) P-C4' energy: -116.542 flat angles C4'-P-C4' energy: -127.673 flat angles P-C4'-P energy: -75.771 tors. eta vs tors. theta energy: -110.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1283.928673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.928673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.928673 (E_RNA) where: Base-Base interactions energy: -834.125 where: short stacking energy: -378.530 Base-Backbone interact. energy: -2.758 local terms energy: -447.046425 where: bonds (distance) C4'-P energy: -88.996 bonds (distance) P-C4' energy: -102.129 flat angles C4'-P-C4' energy: -101.107 flat angles P-C4'-P energy: -81.715 tors. eta vs tors. theta energy: -73.099 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: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -945.190186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.190186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.190186 (E_RNA) where: Base-Base interactions energy: -540.935 where: short stacking energy: -259.655 Base-Backbone interact. energy: -1.498 local terms energy: -402.757792 where: bonds (distance) C4'-P energy: -110.322 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -86.474 flat angles P-C4'-P energy: -65.529 tors. eta vs tors. theta energy: -24.096 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: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -644.531203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.531203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.531203 (E_RNA) where: Base-Base interactions energy: -262.845 where: short stacking energy: -181.968 Base-Backbone interact. energy: -0.594 local terms energy: -381.093007 where: bonds (distance) C4'-P energy: -96.924 bonds (distance) P-C4' energy: -116.594 flat angles C4'-P-C4' energy: -101.485 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: 8.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -608.716577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.716577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.716577 (E_RNA) where: Base-Base interactions energy: -281.074 where: short stacking energy: -180.811 Base-Backbone interact. energy: 3.293 local terms energy: -330.935662 where: bonds (distance) C4'-P energy: -91.759 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -85.863 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: 16.363 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: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2224.275228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.275228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.275228 (E_RNA) where: Base-Base interactions energy: -1531.724 where: short stacking energy: -671.128 Base-Backbone interact. energy: 1.082 local terms energy: -693.633635 where: bonds (distance) C4'-P energy: -133.769 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -149.717 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -199.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2146.934664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.934664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.934664 (E_RNA) where: Base-Base interactions energy: -1456.420 where: short stacking energy: -630.256 Base-Backbone interact. energy: -3.037 local terms energy: -687.477818 where: bonds (distance) C4'-P energy: -132.506 bonds (distance) P-C4' energy: -118.547 flat angles C4'-P-C4' energy: -149.569 flat angles P-C4'-P energy: -92.422 tors. eta vs tors. theta energy: -194.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2013.690926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.690926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.690926 (E_RNA) where: Base-Base interactions energy: -1401.367 where: short stacking energy: -589.009 Base-Backbone interact. energy: -2.106 local terms energy: -610.217869 where: bonds (distance) C4'-P energy: -112.454 bonds (distance) P-C4' energy: -119.139 flat angles C4'-P-C4' energy: -131.452 flat angles P-C4'-P energy: -77.998 tors. eta vs tors. theta energy: -169.176 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: 488 Temperature: 1.050000 Total energy: -1896.573626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.573626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.573626 (E_RNA) where: Base-Base interactions energy: -1305.647 where: short stacking energy: -582.536 Base-Backbone interact. energy: -2.540 local terms energy: -588.386473 where: bonds (distance) C4'-P energy: -102.318 bonds (distance) P-C4' energy: -112.115 flat angles C4'-P-C4' energy: -131.850 flat angles P-C4'-P energy: -81.854 tors. eta vs tors. theta energy: -160.249 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: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1717.835163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.835163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.835163 (E_RNA) where: Base-Base interactions energy: -1170.263 where: short stacking energy: -511.470 Base-Backbone interact. energy: 0.215 local terms energy: -547.786856 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -113.592 flat angles C4'-P-C4' energy: -122.145 flat angles P-C4'-P energy: -70.181 tors. eta vs tors. theta energy: -139.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1623.854956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.854956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.854956 (E_RNA) where: Base-Base interactions energy: -1107.815 where: short stacking energy: -510.170 Base-Backbone interact. energy: 0.656 local terms energy: -516.695964 where: bonds (distance) C4'-P energy: -99.939 bonds (distance) P-C4' energy: -109.753 flat angles C4'-P-C4' energy: -120.494 flat angles P-C4'-P energy: -72.607 tors. eta vs tors. theta energy: -113.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1254.795225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.795225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.795225 (E_RNA) where: Base-Base interactions energy: -798.159 where: short stacking energy: -379.644 Base-Backbone interact. energy: -0.871 local terms energy: -455.764521 where: bonds (distance) C4'-P energy: -104.709 bonds (distance) P-C4' energy: -102.446 flat angles C4'-P-C4' energy: -117.904 flat angles P-C4'-P energy: -58.675 tors. eta vs tors. theta energy: -72.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -881.229005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.229005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.229005 (E_RNA) where: Base-Base interactions energy: -486.565 where: short stacking energy: -246.334 Base-Backbone interact. energy: 1.051 local terms energy: -395.715226 where: bonds (distance) C4'-P energy: -88.335 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -95.147 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -41.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -634.751892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.751892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.751892 (E_RNA) where: Base-Base interactions energy: -294.374 where: short stacking energy: -196.200 Base-Backbone interact. energy: 3.566 local terms energy: -343.943678 where: bonds (distance) C4'-P energy: -97.591 bonds (distance) P-C4' energy: -107.734 flat angles C4'-P-C4' energy: -80.914 flat angles P-C4'-P energy: -53.955 tors. eta vs tors. theta energy: -3.750 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: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -598.493776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.493776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.493776 (E_RNA) where: Base-Base interactions energy: -280.861 where: short stacking energy: -172.569 Base-Backbone interact. energy: 1.062 local terms energy: -318.694855 where: bonds (distance) C4'-P energy: -102.241 bonds (distance) P-C4' energy: -85.337 flat angles C4'-P-C4' energy: -79.381 flat angles P-C4'-P energy: -61.709 tors. eta vs tors. theta energy: 9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2237.925060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.925060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.925060 (E_RNA) where: Base-Base interactions energy: -1556.109 where: short stacking energy: -660.469 Base-Backbone interact. energy: -6.748 local terms energy: -675.068115 where: bonds (distance) C4'-P energy: -122.293 bonds (distance) P-C4' energy: -107.314 flat angles C4'-P-C4' energy: -152.957 flat angles P-C4'-P energy: -89.951 tors. eta vs tors. theta energy: -202.552 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: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2181.840276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.840276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.840276 (E_RNA) where: Base-Base interactions energy: -1505.247 where: short stacking energy: -652.311 Base-Backbone interact. energy: 5.951 local terms energy: -682.544678 where: bonds (distance) C4'-P energy: -106.457 bonds (distance) P-C4' energy: -128.303 flat angles C4'-P-C4' energy: -149.328 flat angles P-C4'-P energy: -100.437 tors. eta vs tors. theta energy: -198.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2007.103035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.103035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.103035 (E_RNA) where: Base-Base interactions energy: -1365.529 where: short stacking energy: -586.146 Base-Backbone interact. energy: -1.841 local terms energy: -639.732976 where: bonds (distance) C4'-P energy: -114.803 bonds (distance) P-C4' energy: -121.959 flat angles C4'-P-C4' energy: -138.259 flat angles P-C4'-P energy: -84.147 tors. eta vs tors. theta energy: -180.564 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: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1912.728433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.728433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.728433 (E_RNA) where: Base-Base interactions energy: -1316.692 where: short stacking energy: -562.612 Base-Backbone interact. energy: -0.300 local terms energy: -595.737198 where: bonds (distance) C4'-P energy: -111.528 bonds (distance) P-C4' energy: -121.334 flat angles C4'-P-C4' energy: -136.594 flat angles P-C4'-P energy: -93.411 tors. eta vs tors. theta energy: -132.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1729.110582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.110582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.110582 (E_RNA) where: Base-Base interactions energy: -1123.285 where: short stacking energy: -464.136 Base-Backbone interact. energy: -4.564 local terms energy: -601.261559 where: bonds (distance) C4'-P energy: -108.922 bonds (distance) P-C4' energy: -142.800 flat angles C4'-P-C4' energy: -138.082 flat angles P-C4'-P energy: -73.881 tors. eta vs tors. theta energy: -137.576 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: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1594.568734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.568734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.568734 (E_RNA) where: Base-Base interactions energy: -1091.577 where: short stacking energy: -474.902 Base-Backbone interact. energy: 4.006 local terms energy: -506.997614 where: bonds (distance) C4'-P energy: -85.206 bonds (distance) P-C4' energy: -118.965 flat angles C4'-P-C4' energy: -119.043 flat angles P-C4'-P energy: -75.460 tors. eta vs tors. theta energy: -108.323 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: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1248.220248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.220248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.220248 (E_RNA) where: Base-Base interactions energy: -803.473 where: short stacking energy: -384.550 Base-Backbone interact. energy: -0.576 local terms energy: -444.170944 where: bonds (distance) C4'-P energy: -86.694 bonds (distance) P-C4' energy: -94.612 flat angles C4'-P-C4' energy: -105.884 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -85.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -956.643312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.643312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.643312 (E_RNA) where: Base-Base interactions energy: -530.219 where: short stacking energy: -281.187 Base-Backbone interact. energy: 4.984 local terms energy: -431.408158 where: bonds (distance) C4'-P energy: -113.178 bonds (distance) P-C4' energy: -106.858 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -64.500 tors. eta vs tors. theta energy: -36.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -647.343652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.343652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.343652 (E_RNA) where: Base-Base interactions energy: -268.512 where: short stacking energy: -159.796 Base-Backbone interact. energy: -2.396 local terms energy: -376.435307 where: bonds (distance) C4'-P energy: -97.284 bonds (distance) P-C4' energy: -117.889 flat angles C4'-P-C4' energy: -100.323 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -595.274618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.274618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.274618 (E_RNA) where: Base-Base interactions energy: -269.421 where: short stacking energy: -160.234 Base-Backbone interact. energy: 6.130 local terms energy: -331.982671 where: bonds (distance) C4'-P energy: -86.583 bonds (distance) P-C4' energy: -103.418 flat angles C4'-P-C4' energy: -100.348 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: 10.649 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: 490 Temperature: 0.900000 Total energy: -2233.748590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.748590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.748590 (E_RNA) where: Base-Base interactions energy: -1525.301 where: short stacking energy: -652.326 Base-Backbone interact. energy: -5.306 local terms energy: -703.142119 where: bonds (distance) C4'-P energy: -116.650 bonds (distance) P-C4' energy: -143.867 flat angles C4'-P-C4' energy: -141.623 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -197.219 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: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2161.779708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.779708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.779708 (E_RNA) where: Base-Base interactions energy: -1463.006 where: short stacking energy: -638.803 Base-Backbone interact. energy: -0.419 local terms energy: -698.354907 where: bonds (distance) C4'-P energy: -124.389 bonds (distance) P-C4' energy: -132.930 flat angles C4'-P-C4' energy: -150.169 flat angles P-C4'-P energy: -103.006 tors. eta vs tors. theta energy: -187.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2012.289070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.289070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.289070 (E_RNA) where: Base-Base interactions energy: -1366.325 where: short stacking energy: -578.191 Base-Backbone interact. energy: -4.975 local terms energy: -640.988282 where: bonds (distance) C4'-P energy: -120.283 bonds (distance) P-C4' energy: -99.998 flat angles C4'-P-C4' energy: -141.754 flat angles P-C4'-P energy: -86.757 tors. eta vs tors. theta energy: -192.196 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: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1942.107951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.107951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.107951 (E_RNA) where: Base-Base interactions energy: -1327.146 where: short stacking energy: -572.854 Base-Backbone interact. energy: -1.829 local terms energy: -613.133213 where: bonds (distance) C4'-P energy: -112.831 bonds (distance) P-C4' energy: -119.999 flat angles C4'-P-C4' energy: -127.103 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -168.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1702.571673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.571673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.571673 (E_RNA) where: Base-Base interactions energy: -1130.589 where: short stacking energy: -496.067 Base-Backbone interact. energy: -1.507 local terms energy: -570.475077 where: bonds (distance) C4'-P energy: -115.340 bonds (distance) P-C4' energy: -116.284 flat angles C4'-P-C4' energy: -121.384 flat angles P-C4'-P energy: -87.941 tors. eta vs tors. theta energy: -129.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1639.352068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.352068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.352068 (E_RNA) where: Base-Base interactions energy: -1071.731 where: short stacking energy: -477.808 Base-Backbone interact. energy: -3.888 local terms energy: -563.732918 where: bonds (distance) C4'-P energy: -102.143 bonds (distance) P-C4' energy: -118.227 flat angles C4'-P-C4' energy: -137.235 flat angles P-C4'-P energy: -89.624 tors. eta vs tors. theta energy: -116.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1349.206100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.206100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.206100 (E_RNA) where: Base-Base interactions energy: -861.385 where: short stacking energy: -386.251 Base-Backbone interact. energy: 1.968 local terms energy: -489.788708 where: bonds (distance) C4'-P energy: -99.678 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -113.126 flat angles P-C4'-P energy: -78.441 tors. eta vs tors. theta energy: -89.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -932.610828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.610828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.610828 (E_RNA) where: Base-Base interactions energy: -516.777 where: short stacking energy: -238.465 Base-Backbone interact. energy: 1.945 local terms energy: -417.779570 where: bonds (distance) C4'-P energy: -97.824 bonds (distance) P-C4' energy: -118.115 flat angles C4'-P-C4' energy: -97.107 flat angles P-C4'-P energy: -69.906 tors. eta vs tors. theta energy: -34.827 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: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -646.937921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.937921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.937921 (E_RNA) where: Base-Base interactions energy: -302.418 where: short stacking energy: -206.766 Base-Backbone interact. energy: 0.693 local terms energy: -345.213313 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -111.825 flat angles C4'-P-C4' energy: -84.017 flat angles P-C4'-P energy: -48.454 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -637.031945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.031945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.031945 (E_RNA) where: Base-Base interactions energy: -313.389 where: short stacking energy: -183.035 Base-Backbone interact. energy: 0.827 local terms energy: -324.469660 where: bonds (distance) C4'-P energy: -91.318 bonds (distance) P-C4' energy: -109.348 flat angles C4'-P-C4' energy: -88.348 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: 9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2232.644823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.644823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.644823 (E_RNA) where: Base-Base interactions energy: -1531.656 where: short stacking energy: -651.982 Base-Backbone interact. energy: -5.191 local terms energy: -695.797661 where: bonds (distance) C4'-P energy: -123.939 bonds (distance) P-C4' energy: -125.737 flat angles C4'-P-C4' energy: -143.516 flat angles P-C4'-P energy: -104.012 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: 2, replica: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2190.504416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.504416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.504416 (E_RNA) where: Base-Base interactions energy: -1540.258 where: short stacking energy: -658.351 Base-Backbone interact. energy: -0.804 local terms energy: -649.443059 where: bonds (distance) C4'-P energy: -106.015 bonds (distance) P-C4' energy: -112.809 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -88.756 tors. eta vs tors. theta energy: -188.882 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: 3, replica: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2061.492011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.492011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.492011 (E_RNA) where: Base-Base interactions energy: -1402.308 where: short stacking energy: -577.702 Base-Backbone interact. energy: -7.441 local terms energy: -651.742944 where: bonds (distance) C4'-P energy: -135.724 bonds (distance) P-C4' energy: -110.211 flat angles C4'-P-C4' energy: -139.258 flat angles P-C4'-P energy: -89.696 tors. eta vs tors. theta energy: -176.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1939.185427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.185427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.185427 (E_RNA) where: Base-Base interactions energy: -1332.823 where: short stacking energy: -558.960 Base-Backbone interact. energy: 3.916 local terms energy: -610.278844 where: bonds (distance) C4'-P energy: -121.399 bonds (distance) P-C4' energy: -107.383 flat angles C4'-P-C4' energy: -130.549 flat angles P-C4'-P energy: -87.628 tors. eta vs tors. theta energy: -163.319 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: 5, replica: 1 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1706.816823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.816823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.816823 (E_RNA) where: Base-Base interactions energy: -1127.832 where: short stacking energy: -490.218 Base-Backbone interact. energy: -0.524 local terms energy: -578.460867 where: bonds (distance) C4'-P energy: -107.779 bonds (distance) P-C4' energy: -120.318 flat angles C4'-P-C4' energy: -132.223 flat angles P-C4'-P energy: -84.819 tors. eta vs tors. theta energy: -133.321 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: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1573.534617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.534617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.534617 (E_RNA) where: Base-Base interactions energy: -1029.103 where: short stacking energy: -461.417 Base-Backbone interact. energy: -2.258 local terms energy: -542.174146 where: bonds (distance) C4'-P energy: -107.829 bonds (distance) P-C4' energy: -120.149 flat angles C4'-P-C4' energy: -124.248 flat angles P-C4'-P energy: -71.434 tors. eta vs tors. theta energy: -118.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1339.477198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.477198 (E_RNA) where: Base-Base interactions energy: -822.959 where: short stacking energy: -390.021 Base-Backbone interact. energy: -3.052 local terms energy: -513.466589 where: bonds (distance) C4'-P energy: -115.302 bonds (distance) P-C4' energy: -123.123 flat angles C4'-P-C4' energy: -120.454 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: -93.564 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: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -926.339455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.339455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.339455 (E_RNA) where: Base-Base interactions energy: -518.134 where: short stacking energy: -266.156 Base-Backbone interact. energy: -1.283 local terms energy: -406.922506 where: bonds (distance) C4'-P energy: -115.204 bonds (distance) P-C4' energy: -111.947 flat angles C4'-P-C4' energy: -85.449 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: -25.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -624.189493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.189493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.189493 (E_RNA) where: Base-Base interactions energy: -256.505 where: short stacking energy: -156.778 Base-Backbone interact. energy: -3.757 local terms energy: -363.927953 where: bonds (distance) C4'-P energy: -106.194 bonds (distance) P-C4' energy: -113.008 flat angles C4'-P-C4' energy: -95.115 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: 14.459 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: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -610.319811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.319811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.319811 (E_RNA) where: Base-Base interactions energy: -276.781 where: short stacking energy: -191.039 Base-Backbone interact. energy: 5.015 local terms energy: -338.553555 where: bonds (distance) C4'-P energy: -117.382 bonds (distance) P-C4' energy: -99.420 flat angles C4'-P-C4' energy: -70.083 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2249.988277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.988277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.988277 (E_RNA) where: Base-Base interactions energy: -1525.027 where: short stacking energy: -652.594 Base-Backbone interact. energy: -0.115 local terms energy: -724.846216 where: bonds (distance) C4'-P energy: -127.317 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -147.613 flat angles P-C4'-P energy: -112.836 tors. eta vs tors. theta energy: -197.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2174.307301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.307301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.307301 (E_RNA) where: Base-Base interactions energy: -1511.881 where: short stacking energy: -650.341 Base-Backbone interact. energy: 1.039 local terms energy: -663.464913 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -123.567 flat angles C4'-P-C4' energy: -129.676 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -195.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2066.971443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.971443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.971443 (E_RNA) where: Base-Base interactions energy: -1425.241 where: short stacking energy: -608.384 Base-Backbone interact. energy: -1.781 local terms energy: -639.949952 where: bonds (distance) C4'-P energy: -133.719 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -126.404 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -187.868 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: 492 Temperature: 1.050000 Total energy: -1954.646693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.646693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.646693 (E_RNA) where: Base-Base interactions energy: -1347.763 where: short stacking energy: -556.821 Base-Backbone interact. energy: -0.251 local terms energy: -606.633580 where: bonds (distance) C4'-P energy: -109.146 bonds (distance) P-C4' energy: -128.444 flat angles C4'-P-C4' energy: -123.675 flat angles P-C4'-P energy: -90.057 tors. eta vs tors. theta energy: -155.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1777.761230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.761230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.761230 (E_RNA) where: Base-Base interactions energy: -1200.186 where: short stacking energy: -529.774 Base-Backbone interact. energy: -3.488 local terms energy: -574.087734 where: bonds (distance) C4'-P energy: -104.047 bonds (distance) P-C4' energy: -113.215 flat angles C4'-P-C4' energy: -116.830 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -147.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1566.895538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.895538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.895538 (E_RNA) where: Base-Base interactions energy: -1017.621 where: short stacking energy: -437.584 Base-Backbone interact. energy: -2.984 local terms energy: -546.290962 where: bonds (distance) C4'-P energy: -118.320 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -112.176 flat angles P-C4'-P energy: -87.310 tors. eta vs tors. theta energy: -103.294 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: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1293.727480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.727480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.727480 (E_RNA) where: Base-Base interactions energy: -783.926 where: short stacking energy: -392.429 Base-Backbone interact. energy: -2.503 local terms energy: -507.298908 where: bonds (distance) C4'-P energy: -100.316 bonds (distance) P-C4' energy: -130.798 flat angles C4'-P-C4' energy: -116.398 flat angles P-C4'-P energy: -72.286 tors. eta vs tors. theta energy: -87.500 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: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -879.769318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.769318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.769318 (E_RNA) where: Base-Base interactions energy: -472.816 where: short stacking energy: -266.107 Base-Backbone interact. energy: -2.177 local terms energy: -404.775980 where: bonds (distance) C4'-P energy: -108.595 bonds (distance) P-C4' energy: -121.729 flat angles C4'-P-C4' energy: -75.480 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -27.220 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: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -707.428883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.428883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.428883 (E_RNA) where: Base-Base interactions energy: -341.696 where: short stacking energy: -205.138 Base-Backbone interact. energy: 1.102 local terms energy: -366.834528 where: bonds (distance) C4'-P energy: -105.072 bonds (distance) P-C4' energy: -113.839 flat angles C4'-P-C4' energy: -97.603 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: 1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -618.097252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.097252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.097252 (E_RNA) where: Base-Base interactions energy: -289.261 where: short stacking energy: -170.317 Base-Backbone interact. energy: 0.289 local terms energy: -329.125099 where: bonds (distance) C4'-P energy: -89.847 bonds (distance) P-C4' energy: -89.847 flat angles C4'-P-C4' energy: -91.016 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: 7.775 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: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2232.149101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.149101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.149101 (E_RNA) where: Base-Base interactions energy: -1552.918 where: short stacking energy: -685.298 Base-Backbone interact. energy: -2.073 local terms energy: -677.158191 where: bonds (distance) C4'-P energy: -125.574 bonds (distance) P-C4' energy: -117.601 flat angles C4'-P-C4' energy: -145.091 flat angles P-C4'-P energy: -93.914 tors. eta vs tors. theta energy: -194.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2166.946307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.946307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.946307 (E_RNA) where: Base-Base interactions energy: -1499.976 where: short stacking energy: -615.288 Base-Backbone interact. energy: -7.394 local terms energy: -659.575894 where: bonds (distance) C4'-P energy: -119.707 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -140.254 flat angles P-C4'-P energy: -89.809 tors. eta vs tors. theta energy: -184.160 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: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2075.384670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.384670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.384670 (E_RNA) where: Base-Base interactions energy: -1401.603 where: short stacking energy: -604.791 Base-Backbone interact. energy: -4.583 local terms energy: -669.198275 where: bonds (distance) C4'-P energy: -131.704 bonds (distance) P-C4' energy: -116.844 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -186.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1938.168886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.168886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.168886 (E_RNA) where: Base-Base interactions energy: -1321.759 where: short stacking energy: -569.618 Base-Backbone interact. energy: 3.643 local terms energy: -620.053152 where: bonds (distance) C4'-P energy: -125.106 bonds (distance) P-C4' energy: -115.664 flat angles C4'-P-C4' energy: -134.909 flat angles P-C4'-P energy: -73.904 tors. eta vs tors. theta energy: -170.469 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: 493 Temperature: 1.100000 Total energy: -1738.156561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.156561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.156561 (E_RNA) where: Base-Base interactions energy: -1148.063 where: short stacking energy: -498.772 Base-Backbone interact. energy: 0.759 local terms energy: -590.852293 where: bonds (distance) C4'-P energy: -114.333 bonds (distance) P-C4' energy: -122.067 flat angles C4'-P-C4' energy: -131.406 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -137.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1576.050796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.050796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.050796 (E_RNA) where: Base-Base interactions energy: -1038.330 where: short stacking energy: -470.876 Base-Backbone interact. energy: -1.994 local terms energy: -535.727573 where: bonds (distance) C4'-P energy: -110.591 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -116.789 flat angles P-C4'-P energy: -84.764 tors. eta vs tors. theta energy: -117.918 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: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1269.877591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.877591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.877591 (E_RNA) where: Base-Base interactions energy: -762.553 where: short stacking energy: -357.684 Base-Backbone interact. energy: -2.903 local terms energy: -504.421383 where: bonds (distance) C4'-P energy: -105.355 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -128.115 flat angles P-C4'-P energy: -73.922 tors. eta vs tors. theta energy: -81.991 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: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -827.337415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.337415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.337415 (E_RNA) where: Base-Base interactions energy: -431.587 where: short stacking energy: -221.648 Base-Backbone interact. energy: 0.040 local terms energy: -395.790864 where: bonds (distance) C4'-P energy: -106.754 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -120.038 flat angles P-C4'-P energy: -55.624 tors. eta vs tors. theta energy: 1.957 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: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -704.513272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.513272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.513272 (E_RNA) where: Base-Base interactions energy: -350.295 where: short stacking energy: -200.509 Base-Backbone interact. energy: 1.800 local terms energy: -356.018841 where: bonds (distance) C4'-P energy: -80.377 bonds (distance) P-C4' energy: -109.240 flat angles C4'-P-C4' energy: -98.428 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: 5.036 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: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -617.551615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.551615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.551615 (E_RNA) where: Base-Base interactions energy: -254.389 where: short stacking energy: -146.892 Base-Backbone interact. energy: -0.747 local terms energy: -362.416043 where: bonds (distance) C4'-P energy: -104.741 bonds (distance) P-C4' energy: -129.005 flat angles C4'-P-C4' energy: -76.329 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: 6.996 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: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2235.053111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.053111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.053111 (E_RNA) where: Base-Base interactions energy: -1554.357 where: short stacking energy: -680.918 Base-Backbone interact. energy: -0.490 local terms energy: -680.206451 where: bonds (distance) C4'-P energy: -118.196 bonds (distance) P-C4' energy: -140.604 flat angles C4'-P-C4' energy: -134.629 flat angles P-C4'-P energy: -85.317 tors. eta vs tors. theta energy: -201.461 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: 2, replica: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2173.228292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.228292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.228292 (E_RNA) where: Base-Base interactions energy: -1493.033 where: short stacking energy: -665.088 Base-Backbone interact. energy: -3.090 local terms energy: -677.105282 where: bonds (distance) C4'-P energy: -131.906 bonds (distance) P-C4' energy: -116.281 flat angles C4'-P-C4' energy: -144.305 flat angles P-C4'-P energy: -95.536 tors. eta vs tors. theta energy: -189.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2036.614823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.614823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.614823 (E_RNA) where: Base-Base interactions energy: -1372.230 where: short stacking energy: -598.198 Base-Backbone interact. energy: -0.927 local terms energy: -663.456973 where: bonds (distance) C4'-P energy: -117.879 bonds (distance) P-C4' energy: -107.158 flat angles C4'-P-C4' energy: -145.657 flat angles P-C4'-P energy: -108.059 tors. eta vs tors. theta energy: -184.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1948.280875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.280875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.280875 (E_RNA) where: Base-Base interactions energy: -1339.780 where: short stacking energy: -586.591 Base-Backbone interact. energy: -0.891 local terms energy: -607.610197 where: bonds (distance) C4'-P energy: -112.102 bonds (distance) P-C4' energy: -112.555 flat angles C4'-P-C4' energy: -135.801 flat angles P-C4'-P energy: -81.733 tors. eta vs tors. theta energy: -165.419 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: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1714.290266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.290266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.290266 (E_RNA) where: Base-Base interactions energy: -1140.596 where: short stacking energy: -512.831 Base-Backbone interact. energy: -2.589 local terms energy: -571.104683 where: bonds (distance) C4'-P energy: -102.712 bonds (distance) P-C4' energy: -132.922 flat angles C4'-P-C4' energy: -130.577 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -136.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1601.495838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.495838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.495838 (E_RNA) where: Base-Base interactions energy: -1070.149 where: short stacking energy: -467.546 Base-Backbone interact. energy: 1.398 local terms energy: -532.745097 where: bonds (distance) C4'-P energy: -103.398 bonds (distance) P-C4' energy: -114.943 flat angles C4'-P-C4' energy: -117.873 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: -123.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1283.595644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.595644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.595644 (E_RNA) where: Base-Base interactions energy: -806.535 where: short stacking energy: -385.410 Base-Backbone interact. energy: -3.540 local terms energy: -473.520744 where: bonds (distance) C4'-P energy: -109.979 bonds (distance) P-C4' energy: -100.219 flat angles C4'-P-C4' energy: -114.230 flat angles P-C4'-P energy: -76.300 tors. eta vs tors. theta energy: -72.793 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: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -846.261903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.261903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.261903 (E_RNA) where: Base-Base interactions energy: -443.455 where: short stacking energy: -257.733 Base-Backbone interact. energy: -3.843 local terms energy: -398.963563 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -95.234 flat angles P-C4'-P energy: -58.550 tors. eta vs tors. theta energy: -24.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -640.989386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.989386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.989386 (E_RNA) where: Base-Base interactions energy: -277.615 where: short stacking energy: -202.503 Base-Backbone interact. energy: -0.958 local terms energy: -362.416312 where: bonds (distance) C4'-P energy: -99.153 bonds (distance) P-C4' energy: -102.331 flat angles C4'-P-C4' energy: -98.905 flat angles P-C4'-P energy: -68.568 tors. eta vs tors. theta energy: 6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -649.573736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.573736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.573736 (E_RNA) where: Base-Base interactions energy: -309.725 where: short stacking energy: -202.244 Base-Backbone interact. energy: 2.569 local terms energy: -342.417870 where: bonds (distance) C4'-P energy: -104.515 bonds (distance) P-C4' energy: -106.233 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: 3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2204.188284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.188284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.188284 (E_RNA) where: Base-Base interactions energy: -1502.804 where: short stacking energy: -659.496 Base-Backbone interact. energy: -1.128 local terms energy: -700.257042 where: bonds (distance) C4'-P energy: -125.084 bonds (distance) P-C4' energy: -124.809 flat angles C4'-P-C4' energy: -147.534 flat angles P-C4'-P energy: -110.163 tors. eta vs tors. theta energy: -192.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2187.045004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.045004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.045004 (E_RNA) where: Base-Base interactions energy: -1527.454 where: short stacking energy: -637.814 Base-Backbone interact. energy: 1.981 local terms energy: -661.571836 where: bonds (distance) C4'-P energy: -116.694 bonds (distance) P-C4' energy: -116.995 flat angles C4'-P-C4' energy: -147.809 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -190.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2051.527250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.527250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.527250 (E_RNA) where: Base-Base interactions energy: -1391.013 where: short stacking energy: -615.615 Base-Backbone interact. energy: -1.658 local terms energy: -658.856473 where: bonds (distance) C4'-P energy: -124.680 bonds (distance) P-C4' energy: -126.256 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -85.834 tors. eta vs tors. theta energy: -179.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1924.844762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.844762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.844762 (E_RNA) where: Base-Base interactions energy: -1311.723 where: short stacking energy: -553.428 Base-Backbone interact. energy: -1.156 local terms energy: -611.966643 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -123.076 flat angles C4'-P-C4' energy: -133.712 flat angles P-C4'-P energy: -75.542 tors. eta vs tors. theta energy: -166.237 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: 1 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1795.037650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.037650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.037650 (E_RNA) where: Base-Base interactions energy: -1200.898 where: short stacking energy: -521.409 Base-Backbone interact. energy: -3.851 local terms energy: -590.288573 where: bonds (distance) C4'-P energy: -103.077 bonds (distance) P-C4' energy: -123.288 flat angles C4'-P-C4' energy: -120.722 flat angles P-C4'-P energy: -89.084 tors. eta vs tors. theta energy: -154.119 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: 6, replica: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1548.185293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.185293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.185293 (E_RNA) where: Base-Base interactions energy: -1026.028 where: short stacking energy: -457.245 Base-Backbone interact. energy: -3.353 local terms energy: -518.805148 where: bonds (distance) C4'-P energy: -103.657 bonds (distance) P-C4' energy: -109.603 flat angles C4'-P-C4' energy: -115.893 flat angles P-C4'-P energy: -78.425 tors. eta vs tors. theta energy: -111.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1291.689567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.689567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.689567 (E_RNA) where: Base-Base interactions energy: -811.636 where: short stacking energy: -371.062 Base-Backbone interact. energy: -1.092 local terms energy: -478.961073 where: bonds (distance) C4'-P energy: -93.661 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -113.151 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -94.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -879.610400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.610400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.610400 (E_RNA) where: Base-Base interactions energy: -473.505 where: short stacking energy: -257.095 Base-Backbone interact. energy: -1.915 local terms energy: -404.190363 where: bonds (distance) C4'-P energy: -101.568 bonds (distance) P-C4' energy: -109.460 flat angles C4'-P-C4' energy: -101.223 flat angles P-C4'-P energy: -70.166 tors. eta vs tors. theta energy: -21.773 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: 4 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -646.030910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.030910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.030910 (E_RNA) where: Base-Base interactions energy: -271.007 where: short stacking energy: -173.222 Base-Backbone interact. energy: -1.206 local terms energy: -373.818647 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -114.637 flat angles C4'-P-C4' energy: -99.757 flat angles P-C4'-P energy: -57.571 tors. eta vs tors. theta energy: -2.247 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: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -610.324526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.324526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.324526 (E_RNA) where: Base-Base interactions energy: -287.273 where: short stacking energy: -179.237 Base-Backbone interact. energy: -0.339 local terms energy: -322.712965 where: bonds (distance) C4'-P energy: -86.441 bonds (distance) P-C4' energy: -94.347 flat angles C4'-P-C4' energy: -100.338 flat angles P-C4'-P energy: -56.320 tors. eta vs tors. theta energy: 14.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2203.611604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.611604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.611604 (E_RNA) where: Base-Base interactions energy: -1507.074 where: short stacking energy: -648.134 Base-Backbone interact. energy: -1.048 local terms energy: -695.490108 where: bonds (distance) C4'-P energy: -113.270 bonds (distance) P-C4' energy: -136.731 flat angles C4'-P-C4' energy: -151.507 flat angles P-C4'-P energy: -91.582 tors. eta vs tors. theta energy: -202.401 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: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2175.134955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.134955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.134955 (E_RNA) where: Base-Base interactions energy: -1519.487 where: short stacking energy: -657.222 Base-Backbone interact. energy: 7.038 local terms energy: -662.686437 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -114.952 flat angles C4'-P-C4' energy: -143.867 flat angles P-C4'-P energy: -89.969 tors. eta vs tors. theta energy: -196.232 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: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2053.661429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.661429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.661429 (E_RNA) where: Base-Base interactions energy: -1390.011 where: short stacking energy: -598.452 Base-Backbone interact. energy: 0.150 local terms energy: -663.800374 where: bonds (distance) C4'-P energy: -124.094 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -142.001 flat angles P-C4'-P energy: -94.984 tors. eta vs tors. theta energy: -179.828 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: 496 Temperature: 1.050000 Total energy: -1895.434045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.434045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.434045 (E_RNA) where: Base-Base interactions energy: -1294.770 where: short stacking energy: -552.217 Base-Backbone interact. energy: -3.085 local terms energy: -597.579052 where: bonds (distance) C4'-P energy: -108.088 bonds (distance) P-C4' energy: -121.576 flat angles C4'-P-C4' energy: -136.388 flat angles P-C4'-P energy: -81.370 tors. eta vs tors. theta energy: -150.157 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: 1 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1759.608102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.608102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.608102 (E_RNA) where: Base-Base interactions energy: -1211.143 where: short stacking energy: -528.548 Base-Backbone interact. energy: -2.522 local terms energy: -545.942860 where: bonds (distance) C4'-P energy: -115.063 bonds (distance) P-C4' energy: -94.479 flat angles C4'-P-C4' energy: -125.082 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -141.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1496.646933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.646933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.646933 (E_RNA) where: Base-Base interactions energy: -989.945 where: short stacking energy: -440.970 Base-Backbone interact. energy: -0.535 local terms energy: -506.166726 where: bonds (distance) C4'-P energy: -95.880 bonds (distance) P-C4' energy: -117.680 flat angles C4'-P-C4' energy: -115.166 flat angles P-C4'-P energy: -69.344 tors. eta vs tors. theta energy: -108.096 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: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1262.256961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.256961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.256961 (E_RNA) where: Base-Base interactions energy: -776.724 where: short stacking energy: -363.469 Base-Backbone interact. energy: 0.194 local terms energy: -485.726103 where: bonds (distance) C4'-P energy: -104.643 bonds (distance) P-C4' energy: -117.932 flat angles C4'-P-C4' energy: -107.778 flat angles P-C4'-P energy: -84.226 tors. eta vs tors. theta energy: -71.147 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: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -889.922560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.922560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.922560 (E_RNA) where: Base-Base interactions energy: -458.469 where: short stacking energy: -248.483 Base-Backbone interact. energy: 3.558 local terms energy: -435.011749 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -123.090 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: -48.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -649.245700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.245700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.245700 (E_RNA) where: Base-Base interactions energy: -308.065 where: short stacking energy: -181.896 Base-Backbone interact. energy: 2.811 local terms energy: -343.991151 where: bonds (distance) C4'-P energy: -103.372 bonds (distance) P-C4' energy: -105.126 flat angles C4'-P-C4' energy: -78.189 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: 9.091 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: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -640.055590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.055590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.055590 (E_RNA) where: Base-Base interactions energy: -286.472 where: short stacking energy: -167.951 Base-Backbone interact. energy: 0.153 local terms energy: -353.736822 where: bonds (distance) C4'-P energy: -109.609 bonds (distance) P-C4' energy: -107.058 flat angles C4'-P-C4' energy: -92.506 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: -9.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2241.164832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.164832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.164832 (E_RNA) where: Base-Base interactions energy: -1555.512 where: short stacking energy: -670.954 Base-Backbone interact. energy: -1.052 local terms energy: -684.600274 where: bonds (distance) C4'-P energy: -116.072 bonds (distance) P-C4' energy: -126.023 flat angles C4'-P-C4' energy: -142.533 flat angles P-C4'-P energy: -97.200 tors. eta vs tors. theta energy: -202.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2102.415389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.415389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.415389 (E_RNA) where: Base-Base interactions energy: -1423.377 where: short stacking energy: -619.394 Base-Backbone interact. energy: 1.392 local terms energy: -680.429697 where: bonds (distance) C4'-P energy: -108.145 bonds (distance) P-C4' energy: -132.084 flat angles C4'-P-C4' energy: -141.677 flat angles P-C4'-P energy: -99.978 tors. eta vs tors. theta energy: -198.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2117.700223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.700223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.700223 (E_RNA) where: Base-Base interactions energy: -1475.407 where: short stacking energy: -631.636 Base-Backbone interact. energy: -2.733 local terms energy: -639.560021 where: bonds (distance) C4'-P energy: -138.230 bonds (distance) P-C4' energy: -97.236 flat angles C4'-P-C4' energy: -131.697 flat angles P-C4'-P energy: -77.408 tors. eta vs tors. theta energy: -194.989 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: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1931.855254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.855254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.855254 (E_RNA) where: Base-Base interactions energy: -1300.465 where: short stacking energy: -556.913 Base-Backbone interact. energy: -1.515 local terms energy: -629.875064 where: bonds (distance) C4'-P energy: -122.300 bonds (distance) P-C4' energy: -123.272 flat angles C4'-P-C4' energy: -131.979 flat angles P-C4'-P energy: -88.837 tors. eta vs tors. theta energy: -163.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1851.474967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.474967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.474967 (E_RNA) where: Base-Base interactions energy: -1243.932 where: short stacking energy: -544.534 Base-Backbone interact. energy: -3.117 local terms energy: -604.425886 where: bonds (distance) C4'-P energy: -113.745 bonds (distance) P-C4' energy: -108.543 flat angles C4'-P-C4' energy: -126.248 flat angles P-C4'-P energy: -81.457 tors. eta vs tors. theta energy: -174.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1513.352526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.352526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.352526 (E_RNA) where: Base-Base interactions energy: -1020.238 where: short stacking energy: -442.121 Base-Backbone interact. energy: -2.255 local terms energy: -490.859462 where: bonds (distance) C4'-P energy: -112.457 bonds (distance) P-C4' energy: -100.749 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -101.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1201.049951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.049951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.049951 (E_RNA) where: Base-Base interactions energy: -755.540 where: short stacking energy: -360.877 Base-Backbone interact. energy: -0.428 local terms energy: -445.081088 where: bonds (distance) C4'-P energy: -104.354 bonds (distance) P-C4' energy: -108.007 flat angles C4'-P-C4' energy: -99.956 flat angles P-C4'-P energy: -62.095 tors. eta vs tors. theta energy: -70.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -861.721844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.721844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.721844 (E_RNA) where: Base-Base interactions energy: -477.290 where: short stacking energy: -262.250 Base-Backbone interact. energy: 0.050 local terms energy: -384.481619 where: bonds (distance) C4'-P energy: -90.398 bonds (distance) P-C4' energy: -98.896 flat angles C4'-P-C4' energy: -91.020 flat angles P-C4'-P energy: -86.127 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -682.047655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.047655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.047655 (E_RNA) where: Base-Base interactions energy: -352.813 where: short stacking energy: -213.720 Base-Backbone interact. energy: 2.541 local terms energy: -331.775795 where: bonds (distance) C4'-P energy: -113.089 bonds (distance) P-C4' energy: -85.526 flat angles C4'-P-C4' energy: -73.795 flat angles P-C4'-P energy: -65.997 tors. eta vs tors. theta energy: 6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -606.499046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.499046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.499046 (E_RNA) where: Base-Base interactions energy: -275.438 where: short stacking energy: -178.065 Base-Backbone interact. energy: 2.220 local terms energy: -333.280915 where: bonds (distance) C4'-P energy: -99.028 bonds (distance) P-C4' energy: -105.045 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: 4.647 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: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2229.203754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.203754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.203754 (E_RNA) where: Base-Base interactions energy: -1519.225 where: short stacking energy: -654.899 Base-Backbone interact. energy: -4.657 local terms energy: -705.322213 where: bonds (distance) C4'-P energy: -130.497 bonds (distance) P-C4' energy: -132.665 flat angles C4'-P-C4' energy: -150.627 flat angles P-C4'-P energy: -93.820 tors. eta vs tors. theta energy: -197.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2098.075244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.075244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.075244 (E_RNA) where: Base-Base interactions energy: -1413.687 where: short stacking energy: -621.729 Base-Backbone interact. energy: -3.901 local terms energy: -680.488223 where: bonds (distance) C4'-P energy: -120.067 bonds (distance) P-C4' energy: -121.286 flat angles C4'-P-C4' energy: -148.325 flat angles P-C4'-P energy: -103.191 tors. eta vs tors. theta energy: -187.619 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: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2113.751628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.751628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.751628 (E_RNA) where: Base-Base interactions energy: -1480.452 where: short stacking energy: -618.642 Base-Backbone interact. energy: -4.140 local terms energy: -629.159297 where: bonds (distance) C4'-P energy: -108.504 bonds (distance) P-C4' energy: -120.662 flat angles C4'-P-C4' energy: -138.155 flat angles P-C4'-P energy: -80.350 tors. eta vs tors. theta energy: -181.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1936.547895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.547895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.547895 (E_RNA) where: Base-Base interactions energy: -1340.566 where: short stacking energy: -557.834 Base-Backbone interact. energy: -3.025 local terms energy: -592.957357 where: bonds (distance) C4'-P energy: -107.985 bonds (distance) P-C4' energy: -111.104 flat angles C4'-P-C4' energy: -124.585 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -169.859 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: 5, replica: 1 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1794.693635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.693635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.693635 (E_RNA) where: Base-Base interactions energy: -1212.546 where: short stacking energy: -533.714 Base-Backbone interact. energy: -0.225 local terms energy: -581.922708 where: bonds (distance) C4'-P energy: -109.199 bonds (distance) P-C4' energy: -97.808 flat angles C4'-P-C4' energy: -130.891 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -155.956 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: 6, replica: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1565.606149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.606149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.606149 (E_RNA) where: Base-Base interactions energy: -1054.352 where: short stacking energy: -440.719 Base-Backbone interact. energy: -2.760 local terms energy: -508.493942 where: bonds (distance) C4'-P energy: -103.166 bonds (distance) P-C4' energy: -124.398 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -102.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1232.540188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.540188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.540188 (E_RNA) where: Base-Base interactions energy: -754.587 where: short stacking energy: -376.575 Base-Backbone interact. energy: 3.453 local terms energy: -481.405823 where: bonds (distance) C4'-P energy: -99.915 bonds (distance) P-C4' energy: -125.640 flat angles C4'-P-C4' energy: -119.498 flat angles P-C4'-P energy: -72.523 tors. eta vs tors. theta energy: -63.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -856.598806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.598806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.598806 (E_RNA) where: Base-Base interactions energy: -479.019 where: short stacking energy: -281.504 Base-Backbone interact. energy: 2.744 local terms energy: -380.324507 where: bonds (distance) C4'-P energy: -86.168 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -108.059 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: -23.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -705.239788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.239788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.239788 (E_RNA) where: Base-Base interactions energy: -321.984 where: short stacking energy: -211.464 Base-Backbone interact. energy: -1.580 local terms energy: -381.676340 where: bonds (distance) C4'-P energy: -116.089 bonds (distance) P-C4' energy: -127.314 flat angles C4'-P-C4' energy: -82.881 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: -9.289 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: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -586.364747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.364747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.364747 (E_RNA) where: Base-Base interactions energy: -244.565 where: short stacking energy: -173.042 Base-Backbone interact. energy: -2.695 local terms energy: -339.104660 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -111.783 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: 27.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2255.186889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.186889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.186889 (E_RNA) where: Base-Base interactions energy: -1533.587 where: short stacking energy: -663.728 Base-Backbone interact. energy: -2.688 local terms energy: -718.911709 where: bonds (distance) C4'-P energy: -123.623 bonds (distance) P-C4' energy: -144.773 flat angles C4'-P-C4' energy: -147.880 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -204.153 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: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2202.784125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.784125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.784125 (E_RNA) where: Base-Base interactions energy: -1536.797 where: short stacking energy: -668.146 Base-Backbone interact. energy: -0.161 local terms energy: -665.825892 where: bonds (distance) C4'-P energy: -116.712 bonds (distance) P-C4' energy: -110.276 flat angles C4'-P-C4' energy: -149.410 flat angles P-C4'-P energy: -94.226 tors. eta vs tors. theta energy: -195.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2032.944374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.944374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.944374 (E_RNA) where: Base-Base interactions energy: -1373.061 where: short stacking energy: -623.458 Base-Backbone interact. energy: -2.522 local terms energy: -657.361581 where: bonds (distance) C4'-P energy: -111.969 bonds (distance) P-C4' energy: -118.604 flat angles C4'-P-C4' energy: -143.203 flat angles P-C4'-P energy: -94.486 tors. eta vs tors. theta energy: -189.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1947.339067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.339067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.339067 (E_RNA) where: Base-Base interactions energy: -1354.560 where: short stacking energy: -579.022 Base-Backbone interact. energy: -0.709 local terms energy: -592.070263 where: bonds (distance) C4'-P energy: -123.535 bonds (distance) P-C4' energy: -98.284 flat angles C4'-P-C4' energy: -131.691 flat angles P-C4'-P energy: -88.741 tors. eta vs tors. theta energy: -149.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1780.321284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.321284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.321284 (E_RNA) where: Base-Base interactions energy: -1198.539 where: short stacking energy: -540.022 Base-Backbone interact. energy: -1.981 local terms energy: -579.801107 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -99.928 flat angles C4'-P-C4' energy: -114.994 flat angles P-C4'-P energy: -92.278 tors. eta vs tors. theta energy: -152.041 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: 9 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1583.472278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.472278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.472278 (E_RNA) where: Base-Base interactions energy: -1037.410 where: short stacking energy: -471.563 Base-Backbone interact. energy: -1.240 local terms energy: -544.822847 where: bonds (distance) C4'-P energy: -105.766 bonds (distance) P-C4' energy: -111.330 flat angles C4'-P-C4' energy: -132.033 flat angles P-C4'-P energy: -77.130 tors. eta vs tors. theta energy: -118.564 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: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1216.009297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.009297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.009297 (E_RNA) where: Base-Base interactions energy: -755.473 where: short stacking energy: -388.744 Base-Backbone interact. energy: -1.265 local terms energy: -459.271393 where: bonds (distance) C4'-P energy: -102.633 bonds (distance) P-C4' energy: -101.284 flat angles C4'-P-C4' energy: -111.891 flat angles P-C4'-P energy: -65.716 tors. eta vs tors. theta energy: -77.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -848.275233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.275233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.275233 (E_RNA) where: Base-Base interactions energy: -427.819 where: short stacking energy: -244.914 Base-Backbone interact. energy: -1.676 local terms energy: -418.779891 where: bonds (distance) C4'-P energy: -109.547 bonds (distance) P-C4' energy: -111.037 flat angles C4'-P-C4' energy: -105.704 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -27.434 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: 4 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -675.942485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.942485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.942485 (E_RNA) where: Base-Base interactions energy: -289.378 where: short stacking energy: -164.854 Base-Backbone interact. energy: 4.805 local terms energy: -391.370272 where: bonds (distance) C4'-P energy: -122.524 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -95.082 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: 9.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -601.031400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.031400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.031400 (E_RNA) where: Base-Base interactions energy: -279.824 where: short stacking energy: -175.010 Base-Backbone interact. energy: 10.008 local terms energy: -331.214534 where: bonds (distance) C4'-P energy: -101.789 bonds (distance) P-C4' energy: -110.316 flat angles C4'-P-C4' energy: -90.484 flat angles P-C4'-P energy: -43.272 tors. eta vs tors. theta energy: 14.647 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: 3 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2254.233039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.233039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.233039 (E_RNA) where: Base-Base interactions energy: -1538.147 where: short stacking energy: -662.406 Base-Backbone interact. energy: 0.727 local terms energy: -716.812804 where: bonds (distance) C4'-P energy: -131.326 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -152.149 flat angles P-C4'-P energy: -103.103 tors. eta vs tors. theta energy: -195.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2194.584838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.584838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.584838 (E_RNA) where: Base-Base interactions energy: -1518.151 where: short stacking energy: -653.441 Base-Backbone interact. energy: -1.273 local terms energy: -675.160814 where: bonds (distance) C4'-P energy: -114.635 bonds (distance) P-C4' energy: -123.558 flat angles C4'-P-C4' energy: -153.408 flat angles P-C4'-P energy: -89.189 tors. eta vs tors. theta energy: -194.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2034.058786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.058786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.058786 (E_RNA) where: Base-Base interactions energy: -1364.805 where: short stacking energy: -610.728 Base-Backbone interact. energy: -4.064 local terms energy: -665.189801 where: bonds (distance) C4'-P energy: -112.633 bonds (distance) P-C4' energy: -119.742 flat angles C4'-P-C4' energy: -141.065 flat angles P-C4'-P energy: -95.261 tors. eta vs tors. theta energy: -196.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1959.453048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.453048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.453048 (E_RNA) where: Base-Base interactions energy: -1366.002 where: short stacking energy: -562.077 Base-Backbone interact. energy: -4.897 local terms energy: -588.553969 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -117.510 flat angles C4'-P-C4' energy: -133.360 flat angles P-C4'-P energy: -79.499 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: 5, replica: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1799.055328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.055328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.055328 (E_RNA) where: Base-Base interactions energy: -1235.402 where: short stacking energy: -541.892 Base-Backbone interact. energy: -3.738 local terms energy: -559.915320 where: bonds (distance) C4'-P energy: -98.420 bonds (distance) P-C4' energy: -114.493 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -72.054 tors. eta vs tors. theta energy: -145.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1554.529927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.529927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.529927 (E_RNA) where: Base-Base interactions energy: -1029.534 where: short stacking energy: -463.398 Base-Backbone interact. energy: -0.233 local terms energy: -524.763007 where: bonds (distance) C4'-P energy: -97.263 bonds (distance) P-C4' energy: -109.190 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -78.023 tors. eta vs tors. theta energy: -110.222 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: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1135.841782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.841782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.841782 (E_RNA) where: Base-Base interactions energy: -697.921 where: short stacking energy: -328.970 Base-Backbone interact. energy: 2.084 local terms energy: -440.004348 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -94.732 flat angles C4'-P-C4' energy: -116.713 flat angles P-C4'-P energy: -67.066 tors. eta vs tors. theta energy: -61.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -897.187176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.187176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.187176 (E_RNA) where: Base-Base interactions energy: -501.337 where: short stacking energy: -266.323 Base-Backbone interact. energy: 1.522 local terms energy: -397.371469 where: bonds (distance) C4'-P energy: -106.918 bonds (distance) P-C4' energy: -113.670 flat angles C4'-P-C4' energy: -102.163 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: -28.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -719.468099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.468099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.468099 (E_RNA) where: Base-Base interactions energy: -363.684 where: short stacking energy: -206.205 Base-Backbone interact. energy: 11.146 local terms energy: -366.930831 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -111.366 flat angles C4'-P-C4' energy: -98.268 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -7.372 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: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -659.215211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.215211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.215211 (E_RNA) where: Base-Base interactions energy: -312.877 where: short stacking energy: -201.403 Base-Backbone interact. energy: -2.775 local terms energy: -343.562542 where: bonds (distance) C4'-P energy: -105.701 bonds (distance) P-C4' energy: -106.378 flat angles C4'-P-C4' energy: -86.016 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: 3.429 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: 3 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2211.844878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.844878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.844878 (E_RNA) where: Base-Base interactions energy: -1538.093 where: short stacking energy: -659.475 Base-Backbone interact. energy: -4.122 local terms energy: -669.629653 where: bonds (distance) C4'-P energy: -124.015 bonds (distance) P-C4' energy: -113.332 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -98.538 tors. eta vs tors. theta energy: -196.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2152.822076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.822076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.822076 (E_RNA) where: Base-Base interactions energy: -1477.653 where: short stacking energy: -634.498 Base-Backbone interact. energy: -0.282 local terms energy: -674.886335 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -119.339 flat angles C4'-P-C4' energy: -142.991 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -192.971 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: 6 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2050.319660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.319660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.319660 (E_RNA) where: Base-Base interactions energy: -1399.531 where: short stacking energy: -605.256 Base-Backbone interact. energy: -3.514 local terms energy: -647.274984 where: bonds (distance) C4'-P energy: -118.162 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -130.836 flat angles P-C4'-P energy: -92.157 tors. eta vs tors. theta energy: -185.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1942.493325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.493325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.493325 (E_RNA) where: Base-Base interactions energy: -1342.059 where: short stacking energy: -558.354 Base-Backbone interact. energy: -2.145 local terms energy: -598.289817 where: bonds (distance) C4'-P energy: -119.049 bonds (distance) P-C4' energy: -121.534 flat angles C4'-P-C4' energy: -121.537 flat angles P-C4'-P energy: -65.673 tors. eta vs tors. theta energy: -170.496 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: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1799.056910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.056910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.056910 (E_RNA) where: Base-Base interactions energy: -1227.602 where: short stacking energy: -533.570 Base-Backbone interact. energy: -1.973 local terms energy: -569.481524 where: bonds (distance) C4'-P energy: -102.876 bonds (distance) P-C4' energy: -99.300 flat angles C4'-P-C4' energy: -129.108 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -141.324 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: 9 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1469.387776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.387776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.387776 (E_RNA) where: Base-Base interactions energy: -984.336 where: short stacking energy: -416.742 Base-Backbone interact. energy: -2.290 local terms energy: -482.761245 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -96.932 flat angles C4'-P-C4' energy: -116.523 flat angles P-C4'-P energy: -79.967 tors. eta vs tors. theta energy: -89.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1119.645243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.645243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.645243 (E_RNA) where: Base-Base interactions energy: -693.969 where: short stacking energy: -325.389 Base-Backbone interact. energy: -1.614 local terms energy: -424.062290 where: bonds (distance) C4'-P energy: -91.166 bonds (distance) P-C4' energy: -110.774 flat angles C4'-P-C4' energy: -107.282 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: -54.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -892.974304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.974304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.974304 (E_RNA) where: Base-Base interactions energy: -518.393 where: short stacking energy: -279.451 Base-Backbone interact. energy: 0.650 local terms energy: -375.231708 where: bonds (distance) C4'-P energy: -90.484 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -108.625 flat angles P-C4'-P energy: -61.100 tors. eta vs tors. theta energy: -17.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -660.617291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.617291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.617291 (E_RNA) where: Base-Base interactions energy: -307.921 where: short stacking energy: -174.333 Base-Backbone interact. energy: 0.041 local terms energy: -352.737302 where: bonds (distance) C4'-P energy: -101.483 bonds (distance) P-C4' energy: -109.247 flat angles C4'-P-C4' energy: -94.621 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: 1.671 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: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -612.833544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.833544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.833544 (E_RNA) where: Base-Base interactions energy: -264.871 where: short stacking energy: -193.231 Base-Backbone interact. energy: -0.600 local terms energy: -347.361857 where: bonds (distance) C4'-P energy: -93.191 bonds (distance) P-C4' energy: -105.480 flat angles C4'-P-C4' energy: -93.577 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: 3.441 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 110864105 moves confirmed later: 121819629 all moves confirmed: 232683734 percent of confirmed moves: 29.085467 current total energy: -2150.684705 recalc. total energy: -2150.684705 replica 10 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 117756856 moves confirmed later: 131385571 all moves confirmed: 249142427 percent of confirmed moves: 31.142803 current total energy: -2043.888648 recalc. total energy: -2043.888648 replica 6 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 131042622 moves confirmed later: 147901675 all moves confirmed: 278944297 percent of confirmed moves: 34.868037 current total energy: -1950.058600 recalc. total energy: -1950.058600 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 141927813 moves confirmed later: 161452221 all moves confirmed: 303380034 percent of confirmed moves: 37.922504 current total energy: -1845.728861 recalc. total energy: -1845.728861 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 111870810 moves confirmed later: 123214207 all moves confirmed: 235085017 percent of confirmed moves: 29.385627 current total energy: -1653.099285 recalc. total energy: -1653.099285 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 121736644 moves confirmed later: 135753781 all moves confirmed: 257490425 percent of confirmed moves: 32.186303 current total energy: -1341.757315 recalc. total energy: -1341.757315 replica 5 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 131916253 moves confirmed later: 148521973 all moves confirmed: 280438226 percent of confirmed moves: 35.054778 current total energy: -1035.926984 recalc. total energy: -1035.926984 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 211866922 moves confirmed later: 252745147 all moves confirmed: 464612069 percent of confirmed moves: 58.076509 current total energy: -721.551682 recalc. total energy: -721.551682 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 230050989 moves confirmed later: 276656371 all moves confirmed: 506707360 percent of confirmed moves: 63.338420 current total energy: -526.593880 recalc. total energy: -526.593880 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 229739772 moves confirmed later: 276077030 all moves confirmed: 505816802 percent of confirmed moves: 63.227100 current total energy: -544.794817 recalc. total energy: -544.794817 out arg RESULTS//1/R1242-f386ff96_01 Time of doing 8000000 iterations: 44014.065 seconds