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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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-seq-22fc9f4f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1242-seq-22fc9f4f/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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -825.224289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.224289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.224289 (E_RNA) where: Base-Base interactions energy: -331.065 where: short stacking energy: -312.887 Base-Backbone interact. energy: 1.218 local terms energy: -495.377042 where: bonds (distance) C4'-P energy: -120.390 bonds (distance) P-C4' energy: -128.361 flat angles C4'-P-C4' energy: -114.294 flat angles P-C4'-P energy: -78.191 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: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -759.365218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.365218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.365218 (E_RNA) where: Base-Base interactions energy: -294.638 where: short stacking energy: -286.970 Base-Backbone interact. energy: -0.127 local terms energy: -464.600519 where: bonds (distance) C4'-P energy: -118.138 bonds (distance) P-C4' energy: -115.394 flat angles C4'-P-C4' energy: -128.989 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -41.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -671.594508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.594508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.594508 (E_RNA) where: Base-Base interactions energy: -242.857 where: short stacking energy: -230.116 Base-Backbone interact. energy: -2.687 local terms energy: -426.050701 where: bonds (distance) C4'-P energy: -101.593 bonds (distance) P-C4' energy: -122.733 flat angles C4'-P-C4' energy: -107.438 flat angles P-C4'-P energy: -70.081 tors. eta vs tors. theta energy: -24.205 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: 3 Temperature: 1.200000 Total energy: -667.330298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.330298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.330298 (E_RNA) where: Base-Base interactions energy: -236.794 where: short stacking energy: -227.994 Base-Backbone interact. energy: 4.926 local terms energy: -435.462247 where: bonds (distance) C4'-P energy: -110.940 bonds (distance) P-C4' energy: -119.713 flat angles C4'-P-C4' energy: -118.170 flat angles P-C4'-P energy: -56.387 tors. eta vs tors. theta energy: -30.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -861.647167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.647167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.647167 (E_RNA) where: Base-Base interactions energy: -376.435 where: short stacking energy: -320.378 Base-Backbone interact. energy: -1.554 local terms energy: -483.658018 where: bonds (distance) C4'-P energy: -119.284 bonds (distance) P-C4' energy: -106.321 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -80.040 tors. eta vs tors. theta energy: -52.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -795.879947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.879947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.879947 (E_RNA) where: Base-Base interactions energy: -362.862 where: short stacking energy: -276.030 Base-Backbone interact. energy: 0.935 local terms energy: -433.952519 where: bonds (distance) C4'-P energy: -109.465 bonds (distance) P-C4' energy: -115.990 flat angles C4'-P-C4' energy: -111.686 flat angles P-C4'-P energy: -60.882 tors. eta vs tors. theta energy: -35.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -736.270766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.270766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.270766 (E_RNA) where: Base-Base interactions energy: -328.269 where: short stacking energy: -241.959 Base-Backbone interact. energy: -1.308 local terms energy: -406.693933 where: bonds (distance) C4'-P energy: -114.476 bonds (distance) P-C4' energy: -114.083 flat angles C4'-P-C4' energy: -99.776 flat angles P-C4'-P energy: -56.515 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: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -676.314236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.314236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.314236 (E_RNA) where: Base-Base interactions energy: -269.459 where: short stacking energy: -227.731 Base-Backbone interact. energy: 2.876 local terms energy: -409.731096 where: bonds (distance) C4'-P energy: -112.865 bonds (distance) P-C4' energy: -116.610 flat angles C4'-P-C4' energy: -97.528 flat angles P-C4'-P energy: -51.561 tors. eta vs tors. theta energy: -31.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -875.724707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.724707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.724707 (E_RNA) where: Base-Base interactions energy: -380.935 where: short stacking energy: -314.896 Base-Backbone interact. energy: -0.189 local terms energy: -494.600493 where: bonds (distance) C4'-P energy: -121.886 bonds (distance) P-C4' energy: -123.048 flat angles C4'-P-C4' energy: -114.364 flat angles P-C4'-P energy: -80.542 tors. eta vs tors. theta energy: -54.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -809.202886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.202886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.202886 (E_RNA) where: Base-Base interactions energy: -369.705 where: short stacking energy: -291.433 Base-Backbone interact. energy: -1.564 local terms energy: -437.933552 where: bonds (distance) C4'-P energy: -115.399 bonds (distance) P-C4' energy: -124.051 flat angles C4'-P-C4' energy: -98.509 flat angles P-C4'-P energy: -66.724 tors. eta vs tors. theta energy: -33.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -722.134145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.134145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.134145 (E_RNA) where: Base-Base interactions energy: -301.841 where: short stacking energy: -235.073 Base-Backbone interact. energy: 0.898 local terms energy: -421.191461 where: bonds (distance) C4'-P energy: -113.689 bonds (distance) P-C4' energy: -113.445 flat angles C4'-P-C4' energy: -112.970 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: -29.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -666.561462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.561462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.561462 (E_RNA) where: Base-Base interactions energy: -261.435 where: short stacking energy: -216.029 Base-Backbone interact. energy: 0.492 local terms energy: -405.618099 where: bonds (distance) C4'-P energy: -116.085 bonds (distance) P-C4' energy: -104.473 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -30.003 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -652.534719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.534719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.534719 (E_RNA) where: Base-Base interactions energy: -244.899 where: short stacking energy: -198.596 Base-Backbone interact. energy: 3.620 local terms energy: -411.256147 where: bonds (distance) C4'-P energy: -117.748 bonds (distance) P-C4' energy: -100.501 flat angles C4'-P-C4' energy: -95.987 flat angles P-C4'-P energy: -76.165 tors. eta vs tors. theta energy: -20.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -582.023314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.023314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.023314 (E_RNA) where: Base-Base interactions energy: -212.435 where: short stacking energy: -187.005 Base-Backbone interact. energy: -0.312 local terms energy: -369.276328 where: bonds (distance) C4'-P energy: -112.143 bonds (distance) P-C4' energy: -111.205 flat angles C4'-P-C4' energy: -94.188 flat angles P-C4'-P energy: -49.423 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 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: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -906.307074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.307074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.307074 (E_RNA) where: Base-Base interactions energy: -415.668 where: short stacking energy: -334.650 Base-Backbone interact. energy: -2.360 local terms energy: -488.279524 where: bonds (distance) C4'-P energy: -109.380 bonds (distance) P-C4' energy: -116.911 flat angles C4'-P-C4' energy: -113.542 flat angles P-C4'-P energy: -81.190 tors. eta vs tors. theta energy: -67.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -981.416413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.416413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.416413 (E_RNA) where: Base-Base interactions energy: -511.248 where: short stacking energy: -311.417 Base-Backbone interact. energy: -0.116 local terms energy: -470.052630 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -115.318 flat angles C4'-P-C4' energy: -116.414 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: -51.638 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: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -706.869019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.869019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.869019 (E_RNA) where: Base-Base interactions energy: -315.476 where: short stacking energy: -243.785 Base-Backbone interact. energy: -2.596 local terms energy: -388.796837 where: bonds (distance) C4'-P energy: -104.872 bonds (distance) P-C4' energy: -118.173 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: -17.399 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: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -605.745811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.745811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.745811 (E_RNA) where: Base-Base interactions energy: -201.695 where: short stacking energy: -180.054 Base-Backbone interact. energy: -1.141 local terms energy: -402.909994 where: bonds (distance) C4'-P energy: -108.705 bonds (distance) P-C4' energy: -122.506 flat angles C4'-P-C4' energy: -90.646 flat angles P-C4'-P energy: -71.014 tors. eta vs tors. theta energy: -10.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -665.320870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.320870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.320870 (E_RNA) where: Base-Base interactions energy: -296.962 where: short stacking energy: -192.328 Base-Backbone interact. energy: 5.556 local terms energy: -373.914544 where: bonds (distance) C4'-P energy: -104.323 bonds (distance) P-C4' energy: -104.980 flat angles C4'-P-C4' energy: -99.226 flat angles P-C4'-P energy: -68.765 tors. eta vs tors. theta energy: 3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -486.795429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.795429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.795429 (E_RNA) where: Base-Base interactions energy: -166.816 where: short stacking energy: -139.115 Base-Backbone interact. energy: 5.744 local terms energy: -325.723063 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -104.633 flat angles C4'-P-C4' energy: -79.269 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: 18.457 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: 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: -1083.583694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.583694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.583694 (E_RNA) where: Base-Base interactions energy: -596.850 where: short stacking energy: -316.914 Base-Backbone interact. energy: 0.765 local terms energy: -487.498699 where: bonds (distance) C4'-P energy: -127.241 bonds (distance) P-C4' energy: -127.583 flat angles C4'-P-C4' energy: -99.352 flat angles P-C4'-P energy: -78.010 tors. eta vs tors. theta energy: -55.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -828.608782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.608782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.608782 (E_RNA) where: Base-Base interactions energy: -394.305 where: short stacking energy: -287.937 Base-Backbone interact. energy: -1.728 local terms energy: -432.576156 where: bonds (distance) C4'-P energy: -113.565 bonds (distance) P-C4' energy: -100.887 flat angles C4'-P-C4' energy: -109.536 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -39.664 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: 7 Temperature: 1.150000 Total energy: -726.090562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.090562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.090562 (E_RNA) where: Base-Base interactions energy: -316.777 where: short stacking energy: -244.794 Base-Backbone interact. energy: 3.340 local terms energy: -412.653536 where: bonds (distance) C4'-P energy: -100.631 bonds (distance) P-C4' energy: -122.090 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -19.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -676.652671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.652671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.652671 (E_RNA) where: Base-Base interactions energy: -279.991 where: short stacking energy: -247.333 Base-Backbone interact. energy: -0.746 local terms energy: -395.915183 where: bonds (distance) C4'-P energy: -108.033 bonds (distance) P-C4' energy: -96.644 flat angles C4'-P-C4' energy: -99.093 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -21.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -754.698601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.698601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.698601 (E_RNA) where: Base-Base interactions energy: -380.165 where: short stacking energy: -251.043 Base-Backbone interact. energy: -3.505 local terms energy: -371.028217 where: bonds (distance) C4'-P energy: -110.159 bonds (distance) P-C4' energy: -100.407 flat angles C4'-P-C4' energy: -84.440 flat angles P-C4'-P energy: -58.404 tors. eta vs tors. theta energy: -17.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -495.970506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.970506 (E_RNA) where: Base-Base interactions energy: -177.759 where: short stacking energy: -141.523 Base-Backbone interact. energy: 1.419 local terms energy: -319.630444 where: bonds (distance) C4'-P energy: -102.469 bonds (distance) P-C4' energy: -119.128 flat angles C4'-P-C4' energy: -79.883 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: 21.556 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: 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: -1216.748583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.748583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.748583 (E_RNA) where: Base-Base interactions energy: -661.799 where: short stacking energy: -369.874 Base-Backbone interact. energy: -1.722 local terms energy: -553.227947 where: bonds (distance) C4'-P energy: -132.917 bonds (distance) P-C4' energy: -133.804 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -79.248 tors. eta vs tors. theta energy: -74.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: -842.089936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.089936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.089936 (E_RNA) where: Base-Base interactions energy: -421.552 where: short stacking energy: -282.064 Base-Backbone interact. energy: -2.000 local terms energy: -418.537688 where: bonds (distance) C4'-P energy: -119.631 bonds (distance) P-C4' energy: -112.910 flat angles C4'-P-C4' energy: -103.508 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -31.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -701.359051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.359051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.359051 (E_RNA) where: Base-Base interactions energy: -267.467 where: short stacking energy: -219.172 Base-Backbone interact. energy: -4.536 local terms energy: -429.355753 where: bonds (distance) C4'-P energy: -104.381 bonds (distance) P-C4' energy: -107.277 flat angles C4'-P-C4' energy: -110.111 flat angles P-C4'-P energy: -77.209 tors. eta vs tors. theta energy: -30.378 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -791.430893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.430893 (E_RNA) where: Base-Base interactions energy: -417.249 where: short stacking energy: -248.187 Base-Backbone interact. energy: 7.516 local terms energy: -381.698274 where: bonds (distance) C4'-P energy: -102.493 bonds (distance) P-C4' energy: -111.523 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -18.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -629.277359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.277359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.277359 (E_RNA) where: Base-Base interactions energy: -245.296 where: short stacking energy: -205.484 Base-Backbone interact. energy: 2.344 local terms energy: -386.324994 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -111.430 flat angles C4'-P-C4' energy: -98.295 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -16.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -479.281384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.281384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.281384 (E_RNA) where: Base-Base interactions energy: -141.405 where: short stacking energy: -126.672 Base-Backbone interact. energy: 0.235 local terms energy: -338.111746 where: bonds (distance) C4'-P energy: -109.075 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -88.599 flat angles P-C4'-P energy: -57.563 tors. eta vs tors. theta energy: 27.932 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: 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: -1354.879040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.879040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.879040 (E_RNA) where: Base-Base interactions energy: -836.250 where: short stacking energy: -449.957 Base-Backbone interact. energy: -0.503 local terms energy: -518.126381 where: bonds (distance) C4'-P energy: -110.442 bonds (distance) P-C4' energy: -118.052 flat angles C4'-P-C4' energy: -117.832 flat angles P-C4'-P energy: -73.525 tors. eta vs tors. theta energy: -98.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: -948.705003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.705003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.705003 (E_RNA) where: Base-Base interactions energy: -496.224 where: short stacking energy: -299.907 Base-Backbone interact. energy: -0.523 local terms energy: -451.957584 where: bonds (distance) C4'-P energy: -120.236 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -118.050 flat angles P-C4'-P energy: -69.425 tors. eta vs tors. theta energy: -33.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -872.611052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.611052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.611052 (E_RNA) where: Base-Base interactions energy: -439.022 where: short stacking energy: -289.408 Base-Backbone interact. energy: 4.663 local terms energy: -438.252382 where: bonds (distance) C4'-P energy: -98.503 bonds (distance) P-C4' energy: -107.843 flat angles C4'-P-C4' energy: -108.674 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -50.335 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: 9 Temperature: 1.200000 Total energy: -669.312552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.312552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.312552 (E_RNA) where: Base-Base interactions energy: -273.154 where: short stacking energy: -217.518 Base-Backbone interact. energy: -0.621 local terms energy: -395.537623 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -110.246 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -24.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -616.285382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.285382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.285382 (E_RNA) where: Base-Base interactions energy: -228.868 where: short stacking energy: -181.491 Base-Backbone interact. energy: -1.002 local terms energy: -386.415126 where: bonds (distance) C4'-P energy: -97.703 bonds (distance) P-C4' energy: -118.716 flat angles C4'-P-C4' energy: -103.004 flat angles P-C4'-P energy: -72.664 tors. eta vs tors. theta energy: 5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -527.249846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.249846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.249846 (E_RNA) where: Base-Base interactions energy: -187.606 where: short stacking energy: -154.473 Base-Backbone interact. energy: 1.252 local terms energy: -340.896579 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -114.620 flat angles C4'-P-C4' energy: -87.055 flat angles P-C4'-P energy: -52.953 tors. eta vs tors. theta energy: 22.788 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: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1540.583931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.583931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.583931 (E_RNA) where: Base-Base interactions energy: -926.159 where: short stacking energy: -499.198 Base-Backbone interact. energy: -1.006 local terms energy: -613.418384 where: bonds (distance) C4'-P energy: -130.260 bonds (distance) P-C4' energy: -124.706 flat angles C4'-P-C4' energy: -130.610 flat angles P-C4'-P energy: -102.930 tors. eta vs tors. theta energy: -124.913 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: 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: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -971.594230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.594230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.594230 (E_RNA) where: Base-Base interactions energy: -503.065 where: short stacking energy: -279.793 Base-Backbone interact. energy: -3.592 local terms energy: -464.937033 where: bonds (distance) C4'-P energy: -109.420 bonds (distance) P-C4' energy: -124.191 flat angles C4'-P-C4' energy: -118.880 flat angles P-C4'-P energy: -68.273 tors. eta vs tors. theta energy: -44.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -913.546952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.546952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.546952 (E_RNA) where: Base-Base interactions energy: -458.940 where: short stacking energy: -276.399 Base-Backbone interact. energy: -0.552 local terms energy: -454.054623 where: bonds (distance) C4'-P energy: -104.127 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -115.340 flat angles P-C4'-P energy: -63.801 tors. eta vs tors. theta energy: -46.518 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: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -661.661466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.661466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.661466 (E_RNA) where: Base-Base interactions energy: -254.411 where: short stacking energy: -219.107 Base-Backbone interact. energy: -0.162 local terms energy: -407.087814 where: bonds (distance) C4'-P energy: -99.432 bonds (distance) P-C4' energy: -116.705 flat angles C4'-P-C4' energy: -103.649 flat angles P-C4'-P energy: -70.964 tors. eta vs tors. theta energy: -16.337 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: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -591.419908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.419908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.419908 (E_RNA) where: Base-Base interactions energy: -254.459 where: short stacking energy: -197.341 Base-Backbone interact. energy: 0.284 local terms energy: -337.244852 where: bonds (distance) C4'-P energy: -106.655 bonds (distance) P-C4' energy: -95.327 flat angles C4'-P-C4' energy: -104.117 flat angles P-C4'-P energy: -45.056 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: 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: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -495.221969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.221969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.221969 (E_RNA) where: Base-Base interactions energy: -180.431 where: short stacking energy: -138.539 Base-Backbone interact. energy: 4.952 local terms energy: -319.742895 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -101.400 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -59.038 tors. eta vs tors. theta energy: 25.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1564.799590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.799590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.799590 (E_RNA) where: Base-Base interactions energy: -962.697 where: short stacking energy: -484.454 Base-Backbone interact. energy: 0.576 local terms energy: -602.678475 where: bonds (distance) C4'-P energy: -114.711 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -138.282 flat angles P-C4'-P energy: -88.474 tors. eta vs tors. theta energy: -120.726 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: 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: 8 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1010.838915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.838915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.838915 (E_RNA) where: Base-Base interactions energy: -546.021 where: short stacking energy: -316.302 Base-Backbone interact. energy: 2.871 local terms energy: -467.688857 where: bonds (distance) C4'-P energy: -116.448 bonds (distance) P-C4' energy: -119.660 flat angles C4'-P-C4' energy: -112.941 flat angles P-C4'-P energy: -63.408 tors. eta vs tors. theta energy: -55.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -885.031733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.031733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.031733 (E_RNA) where: Base-Base interactions energy: -436.813 where: short stacking energy: -259.961 Base-Backbone interact. energy: 1.709 local terms energy: -449.927684 where: bonds (distance) C4'-P energy: -124.233 bonds (distance) P-C4' energy: -119.735 flat angles C4'-P-C4' energy: -108.111 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -42.171 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: 11 Temperature: 1.200000 Total energy: -666.061257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.061257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.061257 (E_RNA) where: Base-Base interactions energy: -259.844 where: short stacking energy: -202.740 Base-Backbone interact. energy: -1.612 local terms energy: -404.605019 where: bonds (distance) C4'-P energy: -105.481 bonds (distance) P-C4' energy: -122.448 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: -6.780 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: 11 Temperature: 1.250000 Total energy: -607.019335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.019335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.019335 (E_RNA) where: Base-Base interactions energy: -245.422 where: short stacking energy: -191.655 Base-Backbone interact. energy: 2.516 local terms energy: -364.113251 where: bonds (distance) C4'-P energy: -101.106 bonds (distance) P-C4' energy: -103.692 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -64.454 tors. eta vs tors. theta energy: 8.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -497.164361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.164361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.164361 (E_RNA) where: Base-Base interactions energy: -178.899 where: short stacking energy: -138.942 Base-Backbone interact. energy: 1.798 local terms energy: -320.063330 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -99.259 flat angles C4'-P-C4' energy: -69.753 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: 24.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1597.438945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.438945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.438945 (E_RNA) where: Base-Base interactions energy: -1001.021 where: short stacking energy: -515.406 Base-Backbone interact. energy: -1.821 local terms energy: -594.597406 where: bonds (distance) C4'-P energy: -135.201 bonds (distance) P-C4' energy: -120.693 flat angles C4'-P-C4' energy: -130.331 flat angles P-C4'-P energy: -79.537 tors. eta vs tors. theta energy: -128.836 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: 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: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1084.456278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.456278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.456278 (E_RNA) where: Base-Base interactions energy: -606.651 where: short stacking energy: -353.835 Base-Backbone interact. energy: -1.300 local terms energy: -476.505895 where: bonds (distance) C4'-P energy: -110.075 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -107.229 flat angles P-C4'-P energy: -71.480 tors. eta vs tors. theta energy: -72.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -972.357656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.357656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.357656 (E_RNA) where: Base-Base interactions energy: -531.850 where: short stacking energy: -301.390 Base-Backbone interact. energy: -0.408 local terms energy: -440.099513 where: bonds (distance) C4'-P energy: -94.526 bonds (distance) P-C4' energy: -121.333 flat angles C4'-P-C4' energy: -107.255 flat angles P-C4'-P energy: -64.089 tors. eta vs tors. theta energy: -52.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -705.331784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.331784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.331784 (E_RNA) where: Base-Base interactions energy: -296.552 where: short stacking energy: -267.999 Base-Backbone interact. energy: -0.072 local terms energy: -408.707447 where: bonds (distance) C4'-P energy: -101.809 bonds (distance) P-C4' energy: -112.551 flat angles C4'-P-C4' energy: -93.655 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: -35.173 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: 12 Temperature: 1.250000 Total energy: -689.327167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.327167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.327167 (E_RNA) where: Base-Base interactions energy: -336.741 where: short stacking energy: -230.010 Base-Backbone interact. energy: 0.520 local terms energy: -353.106751 where: bonds (distance) C4'-P energy: -103.606 bonds (distance) P-C4' energy: -115.576 flat angles C4'-P-C4' energy: -106.348 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: 8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -535.060759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.060759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.060759 (E_RNA) where: Base-Base interactions energy: -210.929 where: short stacking energy: -153.927 Base-Backbone interact. energy: 1.361 local terms energy: -325.492410 where: bonds (distance) C4'-P energy: -92.564 bonds (distance) P-C4' energy: -108.586 flat angles C4'-P-C4' energy: -84.780 flat angles P-C4'-P energy: -53.494 tors. eta vs tors. theta energy: 13.932 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: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1605.627547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.627547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.627547 (E_RNA) where: Base-Base interactions energy: -991.305 where: short stacking energy: -511.121 Base-Backbone interact. energy: -2.521 local terms energy: -611.800683 where: bonds (distance) C4'-P energy: -130.057 bonds (distance) P-C4' energy: -126.026 flat angles C4'-P-C4' energy: -141.695 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -123.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 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: 8 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1052.270814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.270814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.270814 (E_RNA) where: Base-Base interactions energy: -572.197 where: short stacking energy: -325.206 Base-Backbone interact. energy: -1.512 local terms energy: -478.561563 where: bonds (distance) C4'-P energy: -103.940 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -122.722 flat angles P-C4'-P energy: -76.594 tors. eta vs tors. theta energy: -58.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1026.074947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.074947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.074947 (E_RNA) where: Base-Base interactions energy: -574.765 where: short stacking energy: -313.117 Base-Backbone interact. energy: -3.371 local terms energy: -447.938794 where: bonds (distance) C4'-P energy: -109.110 bonds (distance) P-C4' energy: -124.105 flat angles C4'-P-C4' energy: -105.468 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -42.450 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: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -701.714664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.714664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.714664 (E_RNA) where: Base-Base interactions energy: -309.720 where: short stacking energy: -239.479 Base-Backbone interact. energy: -1.842 local terms energy: -390.153152 where: bonds (distance) C4'-P energy: -91.509 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -100.328 flat angles P-C4'-P energy: -78.459 tors. eta vs tors. theta energy: -17.422 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: 13 Temperature: 1.250000 Total energy: -670.261580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.261580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.261580 (E_RNA) where: Base-Base interactions energy: -299.425 where: short stacking energy: -197.463 Base-Backbone interact. energy: -2.971 local terms energy: -367.865632 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -101.986 flat angles C4'-P-C4' energy: -94.383 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: 5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -583.746122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.746122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.746122 (E_RNA) where: Base-Base interactions energy: -264.689 where: short stacking energy: -188.307 Base-Backbone interact. energy: -2.373 local terms energy: -316.684721 where: bonds (distance) C4'-P energy: -74.480 bonds (distance) P-C4' energy: -117.383 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -49.055 tors. eta vs tors. theta energy: 12.316 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: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1561.810769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.810769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.810769 (E_RNA) where: Base-Base interactions energy: -952.073 where: short stacking energy: -484.014 Base-Backbone interact. energy: -0.643 local terms energy: -609.094897 where: bonds (distance) C4'-P energy: -137.224 bonds (distance) P-C4' energy: -125.704 flat angles C4'-P-C4' energy: -138.164 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -110.284 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: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1600.623759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.623759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.623759 (E_RNA) where: Base-Base interactions energy: -999.818 where: short stacking energy: -522.335 Base-Backbone interact. energy: -4.255 local terms energy: -596.550456 where: bonds (distance) C4'-P energy: -120.196 bonds (distance) P-C4' energy: -122.989 flat angles C4'-P-C4' energy: -136.601 flat angles P-C4'-P energy: -91.427 tors. eta vs tors. theta energy: -125.337 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: 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: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1075.811978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.811978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.811978 (E_RNA) where: Base-Base interactions energy: -586.246 where: short stacking energy: -310.355 Base-Backbone interact. energy: -2.344 local terms energy: -487.222206 where: bonds (distance) C4'-P energy: -112.253 bonds (distance) P-C4' energy: -132.324 flat angles C4'-P-C4' energy: -120.399 flat angles P-C4'-P energy: -67.405 tors. eta vs tors. theta energy: -54.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1025.471171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.471171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.471171 (E_RNA) where: Base-Base interactions energy: -564.586 where: short stacking energy: -293.601 Base-Backbone interact. energy: -2.488 local terms energy: -458.396733 where: bonds (distance) C4'-P energy: -109.149 bonds (distance) P-C4' energy: -100.290 flat angles C4'-P-C4' energy: -119.582 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -48.629 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: 14 Temperature: 1.200000 Total energy: -723.636063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.636063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.636063 (E_RNA) where: Base-Base interactions energy: -334.915 where: short stacking energy: -219.828 Base-Backbone interact. energy: 0.219 local terms energy: -388.940344 where: bonds (distance) C4'-P energy: -110.684 bonds (distance) P-C4' energy: -110.382 flat angles C4'-P-C4' energy: -94.927 flat angles P-C4'-P energy: -52.237 tors. eta vs tors. theta energy: -20.711 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: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -654.042833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.042833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.042833 (E_RNA) where: Base-Base interactions energy: -306.438 where: short stacking energy: -190.335 Base-Backbone interact. energy: 2.676 local terms energy: -350.281661 where: bonds (distance) C4'-P energy: -99.927 bonds (distance) P-C4' energy: -108.379 flat angles C4'-P-C4' energy: -97.825 flat angles P-C4'-P energy: -64.110 tors. eta vs tors. theta energy: 19.960 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: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -651.842139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.842139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.842139 (E_RNA) where: Base-Base interactions energy: -289.936 where: short stacking energy: -174.283 Base-Backbone interact. energy: -3.142 local terms energy: -358.764047 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -105.796 flat angles C4'-P-C4' energy: -92.805 flat angles P-C4'-P energy: -66.591 tors. eta vs tors. theta energy: 5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1634.915296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.915296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.915296 (E_RNA) where: Base-Base interactions energy: -1045.083 where: short stacking energy: -518.099 Base-Backbone interact. energy: 1.628 local terms energy: -591.460610 where: bonds (distance) C4'-P energy: -116.989 bonds (distance) P-C4' energy: -136.550 flat angles C4'-P-C4' energy: -137.348 flat angles P-C4'-P energy: -92.100 tors. eta vs tors. theta energy: -108.473 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: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1591.480056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.480056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.480056 (E_RNA) where: Base-Base interactions energy: -996.899 where: short stacking energy: -506.707 Base-Backbone interact. energy: 0.017 local terms energy: -594.597790 where: bonds (distance) C4'-P energy: -123.863 bonds (distance) P-C4' energy: -121.030 flat angles C4'-P-C4' energy: -129.546 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -131.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1205.797820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.797820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.797820 (E_RNA) where: Base-Base interactions energy: -687.551 where: short stacking energy: -387.324 Base-Backbone interact. energy: -2.036 local terms energy: -516.210458 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -122.691 flat angles C4'-P-C4' energy: -123.175 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -88.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: -1037.281747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.281747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.281747 (E_RNA) where: Base-Base interactions energy: -585.506 where: short stacking energy: -304.890 Base-Backbone interact. energy: -0.348 local terms energy: -451.427647 where: bonds (distance) C4'-P energy: -107.584 bonds (distance) P-C4' energy: -100.286 flat angles C4'-P-C4' energy: -123.066 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: -42.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -683.204419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.204419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.204419 (E_RNA) where: Base-Base interactions energy: -286.466 where: short stacking energy: -221.919 Base-Backbone interact. energy: 0.241 local terms energy: -396.979565 where: bonds (distance) C4'-P energy: -109.168 bonds (distance) P-C4' energy: -123.402 flat angles C4'-P-C4' energy: -104.774 flat angles P-C4'-P energy: -48.133 tors. eta vs tors. theta energy: -11.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -637.612731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.612731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.612731 (E_RNA) where: Base-Base interactions energy: -256.551 where: short stacking energy: -196.993 Base-Backbone interact. energy: -1.094 local terms energy: -379.966996 where: bonds (distance) C4'-P energy: -114.981 bonds (distance) P-C4' energy: -114.726 flat angles C4'-P-C4' energy: -87.023 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: -10.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -679.589537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.589537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.589537 (E_RNA) where: Base-Base interactions energy: -314.481 where: short stacking energy: -190.283 Base-Backbone interact. energy: -1.242 local terms energy: -363.866114 where: bonds (distance) C4'-P energy: -104.819 bonds (distance) P-C4' energy: -115.079 flat angles C4'-P-C4' energy: -90.269 flat angles P-C4'-P energy: -47.760 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1690.492907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.492907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.492907 (E_RNA) where: Base-Base interactions energy: -1090.136 where: short stacking energy: -513.985 Base-Backbone interact. energy: -3.393 local terms energy: -596.964444 where: bonds (distance) C4'-P energy: -128.522 bonds (distance) P-C4' energy: -130.691 flat angles C4'-P-C4' energy: -130.566 flat angles P-C4'-P energy: -86.059 tors. eta vs tors. theta energy: -121.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1616.196503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.196503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.196503 (E_RNA) where: Base-Base interactions energy: -1013.061 where: short stacking energy: -507.638 Base-Backbone interact. energy: -4.258 local terms energy: -598.876748 where: bonds (distance) C4'-P energy: -118.235 bonds (distance) P-C4' energy: -132.404 flat angles C4'-P-C4' energy: -131.419 flat angles P-C4'-P energy: -80.990 tors. eta vs tors. theta energy: -135.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1228.895475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.895475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.895475 (E_RNA) where: Base-Base interactions energy: -687.234 where: short stacking energy: -394.162 Base-Backbone interact. energy: -1.715 local terms energy: -539.946430 where: bonds (distance) C4'-P energy: -126.369 bonds (distance) P-C4' energy: -123.160 flat angles C4'-P-C4' energy: -112.999 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -99.246 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: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1205.831797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.831797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.831797 (E_RNA) where: Base-Base interactions energy: -723.912 where: short stacking energy: -352.235 Base-Backbone interact. energy: -1.482 local terms energy: -480.438383 where: bonds (distance) C4'-P energy: -104.203 bonds (distance) P-C4' energy: -103.180 flat angles C4'-P-C4' energy: -128.477 flat angles P-C4'-P energy: -76.286 tors. eta vs tors. theta energy: -68.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: -695.602182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.602182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.602182 (E_RNA) where: Base-Base interactions energy: -308.700 where: short stacking energy: -228.691 Base-Backbone interact. energy: -2.486 local terms energy: -384.415277 where: bonds (distance) C4'-P energy: -85.300 bonds (distance) P-C4' energy: -116.875 flat angles C4'-P-C4' energy: -98.721 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -18.863 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: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -640.253494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.253494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.253494 (E_RNA) where: Base-Base interactions energy: -260.188 where: short stacking energy: -191.012 Base-Backbone interact. energy: -2.984 local terms energy: -377.081187 where: bonds (distance) C4'-P energy: -112.289 bonds (distance) P-C4' energy: -122.537 flat angles C4'-P-C4' energy: -85.957 flat angles P-C4'-P energy: -42.453 tors. eta vs tors. theta energy: -13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 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: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -563.142805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.142805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.142805 (E_RNA) where: Base-Base interactions energy: -262.690 where: short stacking energy: -143.249 Base-Backbone interact. energy: -1.110 local terms energy: -299.342994 where: bonds (distance) C4'-P energy: -95.664 bonds (distance) P-C4' energy: -96.976 flat angles C4'-P-C4' energy: -83.343 flat angles P-C4'-P energy: -41.117 tors. eta vs tors. theta energy: 17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1689.855430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.855430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.855430 (E_RNA) where: Base-Base interactions energy: -1076.865 where: short stacking energy: -480.622 Base-Backbone interact. energy: -0.218 local terms energy: -612.772926 where: bonds (distance) C4'-P energy: -120.762 bonds (distance) P-C4' energy: -137.382 flat angles C4'-P-C4' energy: -140.479 flat angles P-C4'-P energy: -89.985 tors. eta vs tors. theta energy: -124.165 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: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1607.177689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.177689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.177689 (E_RNA) where: Base-Base interactions energy: -1027.743 where: short stacking energy: -495.950 Base-Backbone interact. energy: 1.956 local terms energy: -581.390664 where: bonds (distance) C4'-P energy: -115.000 bonds (distance) P-C4' energy: -121.807 flat angles C4'-P-C4' energy: -133.718 flat angles P-C4'-P energy: -89.828 tors. eta vs tors. theta energy: -121.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1276.453468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.453468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.453468 (E_RNA) where: Base-Base interactions energy: -736.493 where: short stacking energy: -380.563 Base-Backbone interact. energy: 1.226 local terms energy: -541.185768 where: bonds (distance) C4'-P energy: -116.927 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -125.120 flat angles P-C4'-P energy: -90.373 tors. eta vs tors. theta energy: -81.519 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: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1180.258196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.258196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.258196 (E_RNA) where: Base-Base interactions energy: -693.748 where: short stacking energy: -357.055 Base-Backbone interact. energy: 0.872 local terms energy: -487.382164 where: bonds (distance) C4'-P energy: -104.152 bonds (distance) P-C4' energy: -109.747 flat angles C4'-P-C4' energy: -125.128 flat angles P-C4'-P energy: -81.935 tors. eta vs tors. theta energy: -66.421 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: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -913.171561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.171561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.171561 (E_RNA) where: Base-Base interactions energy: -481.991 where: short stacking energy: -299.839 Base-Backbone interact. energy: -3.237 local terms energy: -427.943606 where: bonds (distance) C4'-P energy: -87.899 bonds (distance) P-C4' energy: -109.149 flat angles C4'-P-C4' energy: -123.594 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: -39.946 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: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -756.959363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.959363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.959363 (E_RNA) where: Base-Base interactions energy: -366.463 where: short stacking energy: -241.537 Base-Backbone interact. energy: -2.236 local terms energy: -388.260663 where: bonds (distance) C4'-P energy: -100.311 bonds (distance) P-C4' energy: -114.978 flat angles C4'-P-C4' energy: -81.904 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -734.617311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.617311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.617311 (E_RNA) where: Base-Base interactions energy: -373.748 where: short stacking energy: -198.780 Base-Backbone interact. energy: 5.602 local terms energy: -366.471593 where: bonds (distance) C4'-P energy: -94.722 bonds (distance) P-C4' energy: -104.694 flat angles C4'-P-C4' energy: -101.742 flat angles P-C4'-P energy: -64.746 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -592.325264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.325264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.325264 (E_RNA) where: Base-Base interactions energy: -259.684 where: short stacking energy: -178.751 Base-Backbone interact. energy: -1.293 local terms energy: -331.348445 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -108.869 flat angles C4'-P-C4' energy: -88.650 flat angles P-C4'-P energy: -58.095 tors. eta vs tors. theta energy: 9.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -577.620176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.620176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.620176 (E_RNA) where: Base-Base interactions energy: -265.948 where: short stacking energy: -183.992 Base-Backbone interact. energy: 1.156 local terms energy: -312.828278 where: bonds (distance) C4'-P energy: -103.665 bonds (distance) P-C4' energy: -94.176 flat angles C4'-P-C4' energy: -92.220 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: 22.857 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: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1689.749964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.749964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.749964 (E_RNA) where: Base-Base interactions energy: -1093.315 where: short stacking energy: -535.866 Base-Backbone interact. energy: -3.978 local terms energy: -592.457502 where: bonds (distance) C4'-P energy: -132.293 bonds (distance) P-C4' energy: -133.532 flat angles C4'-P-C4' energy: -129.395 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -112.185 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: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1648.401691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.401691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.401691 (E_RNA) where: Base-Base interactions energy: -1050.402 where: short stacking energy: -500.246 Base-Backbone interact. energy: -2.080 local terms energy: -595.919252 where: bonds (distance) C4'-P energy: -131.413 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -126.421 flat angles P-C4'-P energy: -83.842 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: 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: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1304.793546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.793546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.793546 (E_RNA) where: Base-Base interactions energy: -761.585 where: short stacking energy: -418.344 Base-Backbone interact. energy: -0.677 local terms energy: -542.531221 where: bonds (distance) C4'-P energy: -118.238 bonds (distance) P-C4' energy: -127.958 flat angles C4'-P-C4' energy: -123.141 flat angles P-C4'-P energy: -62.483 tors. eta vs tors. theta energy: -110.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1193.877084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.877084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.877084 (E_RNA) where: Base-Base interactions energy: -717.684 where: short stacking energy: -365.421 Base-Backbone interact. energy: 0.713 local terms energy: -476.906028 where: bonds (distance) C4'-P energy: -102.470 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -112.489 flat angles P-C4'-P energy: -70.755 tors. eta vs tors. theta energy: -64.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -953.325639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.325639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.325639 (E_RNA) where: Base-Base interactions energy: -505.370 where: short stacking energy: -299.751 Base-Backbone interact. energy: -1.995 local terms energy: -445.961237 where: bonds (distance) C4'-P energy: -112.406 bonds (distance) P-C4' energy: -110.105 flat angles C4'-P-C4' energy: -112.761 flat angles P-C4'-P energy: -69.601 tors. eta vs tors. theta energy: -41.087 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: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -816.732161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.732161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.732161 (E_RNA) where: Base-Base interactions energy: -432.049 where: short stacking energy: -257.997 Base-Backbone interact. energy: -2.681 local terms energy: -382.002993 where: bonds (distance) C4'-P energy: -96.053 bonds (distance) P-C4' energy: -105.780 flat angles C4'-P-C4' energy: -92.412 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -17.752 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: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -751.096257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.096257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.096257 (E_RNA) where: Base-Base interactions energy: -377.804 where: short stacking energy: -206.603 Base-Backbone interact. energy: -2.109 local terms energy: -371.183195 where: bonds (distance) C4'-P energy: -94.290 bonds (distance) P-C4' energy: -103.836 flat angles C4'-P-C4' energy: -90.310 flat angles P-C4'-P energy: -72.666 tors. eta vs tors. theta energy: -10.082 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: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -586.205383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.205383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.205383 (E_RNA) where: Base-Base interactions energy: -258.731 where: short stacking energy: -175.069 Base-Backbone interact. energy: 0.966 local terms energy: -328.440331 where: bonds (distance) C4'-P energy: -98.119 bonds (distance) P-C4' energy: -110.437 flat angles C4'-P-C4' energy: -67.949 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: 1.478 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: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -494.038997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.038997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.038997 (E_RNA) where: Base-Base interactions energy: -205.755 where: short stacking energy: -128.660 Base-Backbone interact. energy: -1.526 local terms energy: -286.758296 where: bonds (distance) C4'-P energy: -90.983 bonds (distance) P-C4' energy: -94.102 flat angles C4'-P-C4' energy: -89.657 flat angles P-C4'-P energy: -36.936 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: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1767.104252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.104252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.104252 (E_RNA) where: Base-Base interactions energy: -1171.155 where: short stacking energy: -520.448 Base-Backbone interact. energy: -3.411 local terms energy: -592.538340 where: bonds (distance) C4'-P energy: -127.411 bonds (distance) P-C4' energy: -131.421 flat angles C4'-P-C4' energy: -127.198 flat angles P-C4'-P energy: -78.639 tors. eta vs tors. theta energy: -127.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1645.772017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.772017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.772017 (E_RNA) where: Base-Base interactions energy: -1042.030 where: short stacking energy: -491.780 Base-Backbone interact. energy: 0.583 local terms energy: -604.325029 where: bonds (distance) C4'-P energy: -119.106 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -129.982 flat angles P-C4'-P energy: -85.360 tors. eta vs tors. theta energy: -146.210 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: 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: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1373.646536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.646536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.646536 (E_RNA) where: Base-Base interactions energy: -829.377 where: short stacking energy: -433.697 Base-Backbone interact. energy: -1.791 local terms energy: -542.478376 where: bonds (distance) C4'-P energy: -125.906 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -115.492 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: -114.964 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: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1264.763544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.763544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.763544 (E_RNA) where: Base-Base interactions energy: -736.001 where: short stacking energy: -368.933 Base-Backbone interact. energy: 0.077 local terms energy: -528.839258 where: bonds (distance) C4'-P energy: -114.858 bonds (distance) P-C4' energy: -126.646 flat angles C4'-P-C4' energy: -121.874 flat angles P-C4'-P energy: -81.299 tors. eta vs tors. theta energy: -84.162 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: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -946.870048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.870048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.870048 (E_RNA) where: Base-Base interactions energy: -522.281 where: short stacking energy: -299.570 Base-Backbone interact. energy: -1.898 local terms energy: -422.690769 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -118.128 flat angles C4'-P-C4' energy: -92.804 flat angles P-C4'-P energy: -68.731 tors. eta vs tors. theta energy: -43.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -807.079404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.079404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.079404 (E_RNA) where: Base-Base interactions energy: -429.701 where: short stacking energy: -237.512 Base-Backbone interact. energy: 2.248 local terms energy: -379.625648 where: bonds (distance) C4'-P energy: -97.053 bonds (distance) P-C4' energy: -102.182 flat angles C4'-P-C4' energy: -108.421 flat angles P-C4'-P energy: -48.556 tors. eta vs tors. theta energy: -23.413 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: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -759.949090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.949090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.949090 (E_RNA) where: Base-Base interactions energy: -385.485 where: short stacking energy: -237.727 Base-Backbone interact. energy: -0.710 local terms energy: -373.754537 where: bonds (distance) C4'-P energy: -91.860 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -100.212 flat angles P-C4'-P energy: -65.634 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -573.935278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.935278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.935278 (E_RNA) where: Base-Base interactions energy: -226.608 where: short stacking energy: -161.731 Base-Backbone interact. energy: -1.703 local terms energy: -345.624075 where: bonds (distance) C4'-P energy: -91.818 bonds (distance) P-C4' energy: -103.879 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -52.170 tors. eta vs tors. theta energy: 10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -523.677369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.677369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.677369 (E_RNA) where: Base-Base interactions energy: -199.284 where: short stacking energy: -140.440 Base-Backbone interact. energy: 2.233 local terms energy: -326.625811 where: bonds (distance) C4'-P energy: -100.939 bonds (distance) P-C4' energy: -96.838 flat angles C4'-P-C4' energy: -93.210 flat angles P-C4'-P energy: -50.770 tors. eta vs tors. theta energy: 15.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1717.704175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.704175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.704175 (E_RNA) where: Base-Base interactions energy: -1133.379 where: short stacking energy: -542.102 Base-Backbone interact. energy: -4.913 local terms energy: -579.412042 where: bonds (distance) C4'-P energy: -115.226 bonds (distance) P-C4' energy: -112.214 flat angles C4'-P-C4' energy: -129.721 flat angles P-C4'-P energy: -95.443 tors. eta vs tors. theta energy: -126.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1690.256298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.256298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.256298 (E_RNA) where: Base-Base interactions energy: -1075.856 where: short stacking energy: -496.741 Base-Backbone interact. energy: -7.060 local terms energy: -607.340043 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -114.553 flat angles C4'-P-C4' energy: -137.284 flat angles P-C4'-P energy: -84.937 tors. eta vs tors. theta energy: -137.047 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: 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: 8 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1388.727244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.727244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.727244 (E_RNA) where: Base-Base interactions energy: -837.412 where: short stacking energy: -432.338 Base-Backbone interact. energy: -5.260 local terms energy: -546.055077 where: bonds (distance) C4'-P energy: -114.518 bonds (distance) P-C4' energy: -136.837 flat angles C4'-P-C4' energy: -126.956 flat angles P-C4'-P energy: -66.472 tors. eta vs tors. theta energy: -101.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1297.327722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.327722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.327722 (E_RNA) where: Base-Base interactions energy: -790.941 where: short stacking energy: -363.471 Base-Backbone interact. energy: -2.388 local terms energy: -503.998843 where: bonds (distance) C4'-P energy: -110.533 bonds (distance) P-C4' energy: -116.243 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -77.681 tors. eta vs tors. theta energy: -79.911 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: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -972.469311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.469311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.469311 (E_RNA) where: Base-Base interactions energy: -538.036 where: short stacking energy: -321.979 Base-Backbone interact. energy: -0.076 local terms energy: -434.357423 where: bonds (distance) C4'-P energy: -93.117 bonds (distance) P-C4' energy: -123.657 flat angles C4'-P-C4' energy: -108.585 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: -46.900 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: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -861.736033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.736033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.736033 (E_RNA) where: Base-Base interactions energy: -427.680 where: short stacking energy: -274.549 Base-Backbone interact. energy: 0.595 local terms energy: -434.650933 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -116.494 flat angles C4'-P-C4' energy: -116.521 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -26.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -687.451440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.451440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.451440 (E_RNA) where: Base-Base interactions energy: -306.194 where: short stacking energy: -209.998 Base-Backbone interact. energy: 0.349 local terms energy: -381.606165 where: bonds (distance) C4'-P energy: -121.998 bonds (distance) P-C4' energy: -117.334 flat angles C4'-P-C4' energy: -83.557 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -568.795896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.795896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.795896 (E_RNA) where: Base-Base interactions energy: -239.590 where: short stacking energy: -206.366 Base-Backbone interact. energy: 0.292 local terms energy: -329.497999 where: bonds (distance) C4'-P energy: -88.763 bonds (distance) P-C4' energy: -113.022 flat angles C4'-P-C4' energy: -97.248 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: 5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -546.629058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.629058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.629058 (E_RNA) where: Base-Base interactions energy: -208.234 where: short stacking energy: -159.342 Base-Backbone interact. energy: 4.187 local terms energy: -342.582422 where: bonds (distance) C4'-P energy: -105.296 bonds (distance) P-C4' energy: -93.909 flat angles C4'-P-C4' energy: -90.727 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: 22.311 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: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1696.667009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.667009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.667009 (E_RNA) where: Base-Base interactions energy: -1086.560 where: short stacking energy: -545.164 Base-Backbone interact. energy: -2.928 local terms energy: -607.178506 where: bonds (distance) C4'-P energy: -120.514 bonds (distance) P-C4' energy: -124.920 flat angles C4'-P-C4' energy: -138.015 flat angles P-C4'-P energy: -88.418 tors. eta vs tors. theta energy: -135.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1765.088883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.088883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.088883 (E_RNA) where: Base-Base interactions energy: -1173.137 where: short stacking energy: -525.781 Base-Backbone interact. energy: 0.726 local terms energy: -592.677358 where: bonds (distance) C4'-P energy: -120.572 bonds (distance) P-C4' energy: -123.215 flat angles C4'-P-C4' energy: -137.080 flat angles P-C4'-P energy: -81.138 tors. eta vs tors. theta energy: -130.673 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: 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: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1393.541867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.541867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.541867 (E_RNA) where: Base-Base interactions energy: -859.133 where: short stacking energy: -448.105 Base-Backbone interact. energy: -2.623 local terms energy: -531.785609 where: bonds (distance) C4'-P energy: -130.091 bonds (distance) P-C4' energy: -108.245 flat angles C4'-P-C4' energy: -119.755 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -100.419 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1292.542773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.542773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.542773 (E_RNA) where: Base-Base interactions energy: -802.351 where: short stacking energy: -393.530 Base-Backbone interact. energy: -2.160 local terms energy: -488.031253 where: bonds (distance) C4'-P energy: -94.960 bonds (distance) P-C4' energy: -112.405 flat angles C4'-P-C4' energy: -125.037 flat angles P-C4'-P energy: -57.927 tors. eta vs tors. theta energy: -97.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -971.807578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.807578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.807578 (E_RNA) where: Base-Base interactions energy: -552.220 where: short stacking energy: -311.149 Base-Backbone interact. energy: -1.066 local terms energy: -418.521865 where: bonds (distance) C4'-P energy: -118.924 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -105.262 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -31.403 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: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -939.959478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.959478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.959478 (E_RNA) where: Base-Base interactions energy: -513.566 where: short stacking energy: -278.636 Base-Backbone interact. energy: -2.304 local terms energy: -424.089798 where: bonds (distance) C4'-P energy: -107.816 bonds (distance) P-C4' energy: -103.783 flat angles C4'-P-C4' energy: -110.466 flat angles P-C4'-P energy: -69.451 tors. eta vs tors. theta energy: -32.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -676.854056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.854056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.854056 (E_RNA) where: Base-Base interactions energy: -302.998 where: short stacking energy: -207.700 Base-Backbone interact. energy: -2.050 local terms energy: -371.806546 where: bonds (distance) C4'-P energy: -95.369 bonds (distance) P-C4' energy: -117.195 flat angles C4'-P-C4' energy: -94.197 flat angles P-C4'-P energy: -50.055 tors. eta vs tors. theta energy: -14.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -568.233917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.233917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.233917 (E_RNA) where: Base-Base interactions energy: -221.172 where: short stacking energy: -198.432 Base-Backbone interact. energy: -2.386 local terms energy: -344.675955 where: bonds (distance) C4'-P energy: -98.607 bonds (distance) P-C4' energy: -107.921 flat angles C4'-P-C4' energy: -97.278 flat angles P-C4'-P energy: -58.124 tors. eta vs tors. theta energy: 17.254 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: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -521.357686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.357686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.357686 (E_RNA) where: Base-Base interactions energy: -158.370 where: short stacking energy: -124.162 Base-Backbone interact. energy: 3.226 local terms energy: -366.213693 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -127.091 flat angles C4'-P-C4' energy: -97.222 flat angles P-C4'-P energy: -49.468 tors. eta vs tors. theta energy: 23.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1802.437002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.437002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.437002 (E_RNA) where: Base-Base interactions energy: -1172.344 where: short stacking energy: -549.670 Base-Backbone interact. energy: -4.432 local terms energy: -625.660460 where: bonds (distance) C4'-P energy: -130.120 bonds (distance) P-C4' energy: -127.963 flat angles C4'-P-C4' energy: -137.337 flat angles P-C4'-P energy: -85.848 tors. eta vs tors. theta energy: -144.392 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: 22 Temperature: 0.950000 Total energy: -1658.919626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.919626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.919626 (E_RNA) where: Base-Base interactions energy: -1093.931 where: short stacking energy: -498.535 Base-Backbone interact. energy: -3.066 local terms energy: -561.921934 where: bonds (distance) C4'-P energy: -123.466 bonds (distance) P-C4' energy: -117.662 flat angles C4'-P-C4' energy: -121.663 flat angles P-C4'-P energy: -85.657 tors. eta vs tors. theta energy: -113.474 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: 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: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1465.344435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.344435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.344435 (E_RNA) where: Base-Base interactions energy: -917.951 where: short stacking energy: -487.979 Base-Backbone interact. energy: -1.858 local terms energy: -545.535133 where: bonds (distance) C4'-P energy: -107.042 bonds (distance) P-C4' energy: -101.653 flat angles C4'-P-C4' energy: -129.253 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -129.552 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: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1269.174330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.174330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.174330 (E_RNA) where: Base-Base interactions energy: -770.338 where: short stacking energy: -355.786 Base-Backbone interact. energy: -1.303 local terms energy: -497.532563 where: bonds (distance) C4'-P energy: -113.208 bonds (distance) P-C4' energy: -127.234 flat angles C4'-P-C4' energy: -103.841 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: -82.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1046.666970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.666970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.666970 (E_RNA) where: Base-Base interactions energy: -607.188 where: short stacking energy: -303.094 Base-Backbone interact. energy: 0.179 local terms energy: -439.657808 where: bonds (distance) C4'-P energy: -106.799 bonds (distance) P-C4' energy: -113.955 flat angles C4'-P-C4' energy: -112.047 flat angles P-C4'-P energy: -65.759 tors. eta vs tors. theta energy: -41.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1071.385531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.385531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.385531 (E_RNA) where: Base-Base interactions energy: -627.054 where: short stacking energy: -316.311 Base-Backbone interact. energy: -3.444 local terms energy: -440.888134 where: bonds (distance) C4'-P energy: -105.788 bonds (distance) P-C4' energy: -112.755 flat angles C4'-P-C4' energy: -113.775 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -64.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -654.249973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.249973 (E_RNA) where: Base-Base interactions energy: -277.572 where: short stacking energy: -178.923 Base-Backbone interact. energy: -0.215 local terms energy: -376.462837 where: bonds (distance) C4'-P energy: -88.440 bonds (distance) P-C4' energy: -112.541 flat angles C4'-P-C4' energy: -97.385 flat angles P-C4'-P energy: -72.527 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -604.791316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.791316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.791316 (E_RNA) where: Base-Base interactions energy: -287.464 where: short stacking energy: -204.057 Base-Backbone interact. energy: -2.928 local terms energy: -314.399836 where: bonds (distance) C4'-P energy: -90.846 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -89.214 flat angles P-C4'-P energy: -50.787 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: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -525.906809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.906809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.906809 (E_RNA) where: Base-Base interactions energy: -201.235 where: short stacking energy: -160.957 Base-Backbone interact. energy: -3.511 local terms energy: -321.160029 where: bonds (distance) C4'-P energy: -105.345 bonds (distance) P-C4' energy: -99.657 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: 32.003 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: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1834.896443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.896443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.896443 (E_RNA) where: Base-Base interactions energy: -1222.073 where: short stacking energy: -566.707 Base-Backbone interact. energy: -3.477 local terms energy: -609.345956 where: bonds (distance) C4'-P energy: -121.074 bonds (distance) P-C4' energy: -131.107 flat angles C4'-P-C4' energy: -133.358 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -142.639 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: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1633.997808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.997808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.997808 (E_RNA) where: Base-Base interactions energy: -1064.100 where: short stacking energy: -496.257 Base-Backbone interact. energy: -2.956 local terms energy: -566.942360 where: bonds (distance) C4'-P energy: -114.933 bonds (distance) P-C4' energy: -126.180 flat angles C4'-P-C4' energy: -133.310 flat angles P-C4'-P energy: -71.797 tors. eta vs tors. theta energy: -120.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1477.371857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.371857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.371857 (E_RNA) where: Base-Base interactions energy: -946.456 where: short stacking energy: -416.015 Base-Backbone interact. energy: -1.554 local terms energy: -529.361931 where: bonds (distance) C4'-P energy: -117.625 bonds (distance) P-C4' energy: -128.012 flat angles C4'-P-C4' energy: -121.923 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: -95.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1283.540302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.540302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.540302 (E_RNA) where: Base-Base interactions energy: -787.204 where: short stacking energy: -376.904 Base-Backbone interact. energy: 2.241 local terms energy: -498.577752 where: bonds (distance) C4'-P energy: -115.773 bonds (distance) P-C4' energy: -108.206 flat angles C4'-P-C4' energy: -127.285 flat angles P-C4'-P energy: -61.693 tors. eta vs tors. theta energy: -85.621 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: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1140.085352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.085352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.085352 (E_RNA) where: Base-Base interactions energy: -643.483 where: short stacking energy: -323.809 Base-Backbone interact. energy: -1.250 local terms energy: -495.351733 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -130.283 flat angles C4'-P-C4' energy: -107.280 flat angles P-C4'-P energy: -68.789 tors. eta vs tors. theta energy: -67.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -990.917612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.917612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.917612 (E_RNA) where: Base-Base interactions energy: -576.502 where: short stacking energy: -296.890 Base-Backbone interact. energy: -1.170 local terms energy: -413.245805 where: bonds (distance) C4'-P energy: -96.316 bonds (distance) P-C4' energy: -107.078 flat angles C4'-P-C4' energy: -106.615 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -38.232 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: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -641.263906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.263906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.263906 (E_RNA) where: Base-Base interactions energy: -282.462 where: short stacking energy: -178.601 Base-Backbone interact. energy: -0.186 local terms energy: -358.616233 where: bonds (distance) C4'-P energy: -107.427 bonds (distance) P-C4' energy: -114.631 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -49.478 tors. eta vs tors. theta energy: 7.183 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: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -582.533607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.533607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.533607 (E_RNA) where: Base-Base interactions energy: -207.303 where: short stacking energy: -156.809 Base-Backbone interact. energy: -1.594 local terms energy: -373.635670 where: bonds (distance) C4'-P energy: -100.141 bonds (distance) P-C4' energy: -125.640 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -58.347 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: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -531.613949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.613949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.613949 (E_RNA) where: Base-Base interactions energy: -180.302 where: short stacking energy: -117.472 Base-Backbone interact. energy: -1.801 local terms energy: -349.510831 where: bonds (distance) C4'-P energy: -102.654 bonds (distance) P-C4' energy: -112.980 flat angles C4'-P-C4' energy: -79.148 flat angles P-C4'-P energy: -75.417 tors. eta vs tors. theta energy: 20.689 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: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1837.958060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.958060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.958060 (E_RNA) where: Base-Base interactions energy: -1223.024 where: short stacking energy: -527.781 Base-Backbone interact. energy: -6.202 local terms energy: -608.732366 where: bonds (distance) C4'-P energy: -122.466 bonds (distance) P-C4' energy: -125.685 flat angles C4'-P-C4' energy: -133.305 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -138.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1669.989027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.989027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.989027 (E_RNA) where: Base-Base interactions energy: -1088.835 where: short stacking energy: -516.797 Base-Backbone interact. energy: -4.660 local terms energy: -576.494044 where: bonds (distance) C4'-P energy: -115.967 bonds (distance) P-C4' energy: -115.212 flat angles C4'-P-C4' energy: -139.081 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -131.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1529.074834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.074834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.074834 (E_RNA) where: Base-Base interactions energy: -971.070 where: short stacking energy: -441.744 Base-Backbone interact. energy: 2.057 local terms energy: -560.061354 where: bonds (distance) C4'-P energy: -122.474 bonds (distance) P-C4' energy: -131.034 flat angles C4'-P-C4' energy: -121.107 flat angles P-C4'-P energy: -70.234 tors. eta vs tors. theta energy: -115.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1337.262186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.262186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.262186 (E_RNA) where: Base-Base interactions energy: -794.239 where: short stacking energy: -419.504 Base-Backbone interact. energy: -0.880 local terms energy: -542.144040 where: bonds (distance) C4'-P energy: -117.000 bonds (distance) P-C4' energy: -123.660 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -80.187 tors. eta vs tors. theta energy: -93.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1204.507161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.507161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.507161 (E_RNA) where: Base-Base interactions energy: -736.556 where: short stacking energy: -368.345 Base-Backbone interact. energy: 5.732 local terms energy: -473.682949 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -124.000 flat angles C4'-P-C4' energy: -106.484 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -52.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -914.304298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.304298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.304298 (E_RNA) where: Base-Base interactions energy: -463.136 where: short stacking energy: -265.815 Base-Backbone interact. energy: -0.944 local terms energy: -450.224817 where: bonds (distance) C4'-P energy: -109.929 bonds (distance) P-C4' energy: -130.476 flat angles C4'-P-C4' energy: -109.706 flat angles P-C4'-P energy: -60.959 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: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -669.305320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.305320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.305320 (E_RNA) where: Base-Base interactions energy: -300.362 where: short stacking energy: -191.529 Base-Backbone interact. energy: -2.366 local terms energy: -366.577230 where: bonds (distance) C4'-P energy: -109.102 bonds (distance) P-C4' energy: -105.424 flat angles C4'-P-C4' energy: -82.195 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -11.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -631.016787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.016787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.016787 (E_RNA) where: Base-Base interactions energy: -267.903 where: short stacking energy: -183.385 Base-Backbone interact. energy: -1.057 local terms energy: -362.056485 where: bonds (distance) C4'-P energy: -116.053 bonds (distance) P-C4' energy: -98.645 flat angles C4'-P-C4' energy: -93.099 flat angles P-C4'-P energy: -64.124 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: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -510.977157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.977157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.977157 (E_RNA) where: Base-Base interactions energy: -205.941 where: short stacking energy: -137.989 Base-Backbone interact. energy: 1.252 local terms energy: -306.287851 where: bonds (distance) C4'-P energy: -99.025 bonds (distance) P-C4' energy: -90.729 flat angles C4'-P-C4' energy: -93.502 flat angles P-C4'-P energy: -52.212 tors. eta vs tors. theta energy: 29.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1787.998255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.998255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.998255 (E_RNA) where: Base-Base interactions energy: -1183.979 where: short stacking energy: -536.045 Base-Backbone interact. energy: -1.508 local terms energy: -602.511538 where: bonds (distance) C4'-P energy: -129.762 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -111.834 flat angles P-C4'-P energy: -90.249 tors. eta vs tors. theta energy: -138.023 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: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1639.462047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.462047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.462047 (E_RNA) where: Base-Base interactions energy: -1055.433 where: short stacking energy: -517.234 Base-Backbone interact. energy: -3.334 local terms energy: -580.694927 where: bonds (distance) C4'-P energy: -116.017 bonds (distance) P-C4' energy: -126.726 flat angles C4'-P-C4' energy: -134.267 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -126.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1468.342159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.342159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.342159 (E_RNA) where: Base-Base interactions energy: -899.901 where: short stacking energy: -445.661 Base-Backbone interact. energy: -2.096 local terms energy: -566.345058 where: bonds (distance) C4'-P energy: -114.376 bonds (distance) P-C4' energy: -127.719 flat angles C4'-P-C4' energy: -127.320 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -120.830 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: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1307.431560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.431560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.431560 (E_RNA) where: Base-Base interactions energy: -823.940 where: short stacking energy: -375.689 Base-Backbone interact. energy: -3.246 local terms energy: -480.245032 where: bonds (distance) C4'-P energy: -110.141 bonds (distance) P-C4' energy: -114.169 flat angles C4'-P-C4' energy: -123.634 flat angles P-C4'-P energy: -56.003 tors. eta vs tors. theta energy: -76.299 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: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1270.988674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.988674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.988674 (E_RNA) where: Base-Base interactions energy: -816.682 where: short stacking energy: -392.688 Base-Backbone interact. energy: -0.997 local terms energy: -453.309905 where: bonds (distance) C4'-P energy: -83.209 bonds (distance) P-C4' energy: -113.537 flat angles C4'-P-C4' energy: -114.427 flat angles P-C4'-P energy: -77.601 tors. eta vs tors. theta energy: -64.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -906.432974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.432974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.432974 (E_RNA) where: Base-Base interactions energy: -491.458 where: short stacking energy: -256.507 Base-Backbone interact. energy: 0.785 local terms energy: -415.760341 where: bonds (distance) C4'-P energy: -113.609 bonds (distance) P-C4' energy: -109.255 flat angles C4'-P-C4' energy: -109.486 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: -25.516 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: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -741.399376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.399376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.399376 (E_RNA) where: Base-Base interactions energy: -373.164 where: short stacking energy: -236.175 Base-Backbone interact. energy: 1.289 local terms energy: -369.524559 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -111.238 flat angles C4'-P-C4' energy: -97.508 flat angles P-C4'-P energy: -56.702 tors. eta vs tors. theta energy: -10.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -613.061560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.061560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.061560 (E_RNA) where: Base-Base interactions energy: -264.158 where: short stacking energy: -177.584 Base-Backbone interact. energy: -3.486 local terms energy: -345.417191 where: bonds (distance) C4'-P energy: -102.689 bonds (distance) P-C4' energy: -116.529 flat angles C4'-P-C4' energy: -82.200 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: 6.174 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: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -489.235614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.235614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.235614 (E_RNA) where: Base-Base interactions energy: -177.243 where: short stacking energy: -175.412 Base-Backbone interact. energy: 9.355 local terms energy: -321.347850 where: bonds (distance) C4'-P energy: -95.736 bonds (distance) P-C4' energy: -95.827 flat angles C4'-P-C4' energy: -97.116 flat angles P-C4'-P energy: -44.014 tors. eta vs tors. theta energy: 11.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1868.217241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.217241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.217241 (E_RNA) where: Base-Base interactions energy: -1217.625 where: short stacking energy: -583.113 Base-Backbone interact. energy: -2.559 local terms energy: -648.033004 where: bonds (distance) C4'-P energy: -127.978 bonds (distance) P-C4' energy: -136.308 flat angles C4'-P-C4' energy: -145.831 flat angles P-C4'-P energy: -89.787 tors. eta vs tors. theta energy: -148.130 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: 26 Temperature: 0.950000 Total energy: -1646.275185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.275185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.275185 (E_RNA) where: Base-Base interactions energy: -1065.212 where: short stacking energy: -515.545 Base-Backbone interact. energy: -0.929 local terms energy: -580.134358 where: bonds (distance) C4'-P energy: -109.215 bonds (distance) P-C4' energy: -129.987 flat angles C4'-P-C4' energy: -127.938 flat angles P-C4'-P energy: -92.331 tors. eta vs tors. theta energy: -120.664 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: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1552.272009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.272009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.272009 (E_RNA) where: Base-Base interactions energy: -971.038 where: short stacking energy: -449.364 Base-Backbone interact. energy: -1.978 local terms energy: -579.256302 where: bonds (distance) C4'-P energy: -122.850 bonds (distance) P-C4' energy: -117.448 flat angles C4'-P-C4' energy: -134.708 flat angles P-C4'-P energy: -86.814 tors. eta vs tors. theta energy: -117.435 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: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1469.258212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.258212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.258212 (E_RNA) where: Base-Base interactions energy: -932.016 where: short stacking energy: -443.133 Base-Backbone interact. energy: -3.349 local terms energy: -533.893117 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -122.633 flat angles C4'-P-C4' energy: -114.601 flat angles P-C4'-P energy: -78.122 tors. eta vs tors. theta energy: -108.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1362.998346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.998346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.998346 (E_RNA) where: Base-Base interactions energy: -851.766 where: short stacking energy: -427.954 Base-Backbone interact. energy: -2.753 local terms energy: -508.479704 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -101.946 flat angles P-C4'-P energy: -81.552 tors. eta vs tors. theta energy: -102.637 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1288.387273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.387273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.387273 (E_RNA) where: Base-Base interactions energy: -820.790 where: short stacking energy: -385.591 Base-Backbone interact. energy: -4.618 local terms energy: -462.979529 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -120.320 flat angles C4'-P-C4' energy: -106.131 flat angles P-C4'-P energy: -61.283 tors. eta vs tors. theta energy: -66.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1008.654674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.654674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.654674 (E_RNA) where: Base-Base interactions energy: -566.155 where: short stacking energy: -296.085 Base-Backbone interact. energy: -1.568 local terms energy: -440.931693 where: bonds (distance) C4'-P energy: -112.370 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -120.198 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: -49.707 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: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -822.042377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.042377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.042377 (E_RNA) where: Base-Base interactions energy: -424.869 where: short stacking energy: -257.348 Base-Backbone interact. energy: -1.738 local terms energy: -395.435245 where: bonds (distance) C4'-P energy: -112.419 bonds (distance) P-C4' energy: -83.623 flat angles C4'-P-C4' energy: -119.144 flat angles P-C4'-P energy: -54.519 tors. eta vs tors. theta energy: -25.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -587.892750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.892750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.892750 (E_RNA) where: Base-Base interactions energy: -246.290 where: short stacking energy: -156.163 Base-Backbone interact. energy: 1.189 local terms energy: -342.791459 where: bonds (distance) C4'-P energy: -110.055 bonds (distance) P-C4' energy: -104.056 flat angles C4'-P-C4' energy: -94.072 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: 16.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -467.685954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.685954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.685954 (E_RNA) where: Base-Base interactions energy: -163.857 where: short stacking energy: -143.345 Base-Backbone interact. energy: 2.171 local terms energy: -306.000597 where: bonds (distance) C4'-P energy: -99.241 bonds (distance) P-C4' energy: -104.758 flat angles C4'-P-C4' energy: -90.189 flat angles P-C4'-P energy: -41.764 tors. eta vs tors. theta energy: 29.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1806.537035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.537035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.537035 (E_RNA) where: Base-Base interactions energy: -1183.399 where: short stacking energy: -543.680 Base-Backbone interact. energy: 1.756 local terms energy: -624.894042 where: bonds (distance) C4'-P energy: -116.566 bonds (distance) P-C4' energy: -125.355 flat angles C4'-P-C4' energy: -149.191 flat angles P-C4'-P energy: -86.617 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: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1652.670692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.670692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.670692 (E_RNA) where: Base-Base interactions energy: -1097.749 where: short stacking energy: -508.737 Base-Backbone interact. energy: -1.183 local terms energy: -553.738838 where: bonds (distance) C4'-P energy: -125.915 bonds (distance) P-C4' energy: -111.944 flat angles C4'-P-C4' energy: -125.452 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -117.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1599.166467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.166467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.166467 (E_RNA) where: Base-Base interactions energy: -1029.560 where: short stacking energy: -482.669 Base-Backbone interact. energy: -1.870 local terms energy: -567.736713 where: bonds (distance) C4'-P energy: -118.204 bonds (distance) P-C4' energy: -125.323 flat angles C4'-P-C4' energy: -120.617 flat angles P-C4'-P energy: -75.699 tors. eta vs tors. theta energy: -127.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1449.843333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.843333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.843333 (E_RNA) where: Base-Base interactions energy: -907.925 where: short stacking energy: -447.846 Base-Backbone interact. energy: -1.500 local terms energy: -540.417696 where: bonds (distance) C4'-P energy: -118.628 bonds (distance) P-C4' energy: -117.671 flat angles C4'-P-C4' energy: -122.486 flat angles P-C4'-P energy: -65.597 tors. eta vs tors. theta energy: -116.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1422.899407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.899407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.899407 (E_RNA) where: Base-Base interactions energy: -892.910 where: short stacking energy: -421.665 Base-Backbone interact. energy: -0.542 local terms energy: -529.447319 where: bonds (distance) C4'-P energy: -116.408 bonds (distance) P-C4' energy: -118.053 flat angles C4'-P-C4' energy: -118.683 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -105.310 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: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1239.877120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.877120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.877120 (E_RNA) where: Base-Base interactions energy: -745.911 where: short stacking energy: -346.114 Base-Backbone interact. energy: 0.164 local terms energy: -494.130317 where: bonds (distance) C4'-P energy: -91.368 bonds (distance) P-C4' energy: -121.161 flat angles C4'-P-C4' energy: -117.326 flat angles P-C4'-P energy: -79.390 tors. eta vs tors. theta energy: -84.886 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: 27 Temperature: 1.200000 Total energy: -960.863804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.863804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.863804 (E_RNA) where: Base-Base interactions energy: -533.795 where: short stacking energy: -289.983 Base-Backbone interact. energy: 3.681 local terms energy: -430.749801 where: bonds (distance) C4'-P energy: -109.787 bonds (distance) P-C4' energy: -113.924 flat angles C4'-P-C4' energy: -99.490 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -36.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -797.648941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.648941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.648941 (E_RNA) where: Base-Base interactions energy: -400.701 where: short stacking energy: -238.986 Base-Backbone interact. energy: 2.395 local terms energy: -399.342965 where: bonds (distance) C4'-P energy: -113.554 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -94.747 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: -23.789 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: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -621.051759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.051759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.051759 (E_RNA) where: Base-Base interactions energy: -255.731 where: short stacking energy: -167.523 Base-Backbone interact. energy: -1.582 local terms energy: -363.738692 where: bonds (distance) C4'-P energy: -111.023 bonds (distance) P-C4' energy: -109.535 flat angles C4'-P-C4' energy: -91.344 flat angles P-C4'-P energy: -65.854 tors. eta vs tors. theta energy: 14.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -488.592578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.592578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.592578 (E_RNA) where: Base-Base interactions energy: -175.543 where: short stacking energy: -138.774 Base-Backbone interact. energy: -1.996 local terms energy: -311.053863 where: bonds (distance) C4'-P energy: -97.257 bonds (distance) P-C4' energy: -109.817 flat angles C4'-P-C4' energy: -92.016 flat angles P-C4'-P energy: -38.868 tors. eta vs tors. theta energy: 26.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1875.311558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.311558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.311558 (E_RNA) where: Base-Base interactions energy: -1229.880 where: short stacking energy: -574.393 Base-Backbone interact. energy: -4.687 local terms energy: -640.744670 where: bonds (distance) C4'-P energy: -130.029 bonds (distance) P-C4' energy: -125.583 flat angles C4'-P-C4' energy: -139.837 flat angles P-C4'-P energy: -86.962 tors. eta vs tors. theta energy: -158.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1689.213543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.213543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.213543 (E_RNA) where: Base-Base interactions energy: -1116.682 where: short stacking energy: -501.447 Base-Backbone interact. energy: -5.899 local terms energy: -566.632443 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -119.841 flat angles C4'-P-C4' energy: -120.968 flat angles P-C4'-P energy: -83.839 tors. eta vs tors. theta energy: -123.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1605.398676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.398676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.398676 (E_RNA) where: Base-Base interactions energy: -1034.961 where: short stacking energy: -504.990 Base-Backbone interact. energy: -3.411 local terms energy: -567.027052 where: bonds (distance) C4'-P energy: -112.440 bonds (distance) P-C4' energy: -128.127 flat angles C4'-P-C4' energy: -125.962 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -134.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1488.971411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.971411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.971411 (E_RNA) where: Base-Base interactions energy: -939.600 where: short stacking energy: -451.745 Base-Backbone interact. energy: -0.734 local terms energy: -548.636714 where: bonds (distance) C4'-P energy: -106.704 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -128.730 flat angles P-C4'-P energy: -80.981 tors. eta vs tors. theta energy: -120.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1506.543090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.543090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.543090 (E_RNA) where: Base-Base interactions energy: -976.041 where: short stacking energy: -441.726 Base-Backbone interact. energy: 0.627 local terms energy: -531.128777 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -115.412 flat angles C4'-P-C4' energy: -125.209 flat angles P-C4'-P energy: -69.577 tors. eta vs tors. theta energy: -118.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1307.959196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.959196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.959196 (E_RNA) where: Base-Base interactions energy: -822.463 where: short stacking energy: -386.770 Base-Backbone interact. energy: 5.641 local terms energy: -491.137203 where: bonds (distance) C4'-P energy: -117.581 bonds (distance) P-C4' energy: -96.978 flat angles C4'-P-C4' energy: -108.784 flat angles P-C4'-P energy: -76.342 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -928.303348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.303348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.303348 (E_RNA) where: Base-Base interactions energy: -517.010 where: short stacking energy: -275.281 Base-Backbone interact. energy: 0.625 local terms energy: -411.917907 where: bonds (distance) C4'-P energy: -108.212 bonds (distance) P-C4' energy: -112.704 flat angles C4'-P-C4' energy: -102.369 flat angles P-C4'-P energy: -56.174 tors. eta vs tors. theta energy: -32.458 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: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -809.685144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.685144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.685144 (E_RNA) where: Base-Base interactions energy: -419.157 where: short stacking energy: -246.754 Base-Backbone interact. energy: 0.940 local terms energy: -391.468930 where: bonds (distance) C4'-P energy: -95.047 bonds (distance) P-C4' energy: -98.559 flat angles C4'-P-C4' energy: -112.044 flat angles P-C4'-P energy: -63.955 tors. eta vs tors. theta energy: -21.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -587.174163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.174163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.174163 (E_RNA) where: Base-Base interactions energy: -232.443 where: short stacking energy: -162.266 Base-Backbone interact. energy: -1.989 local terms energy: -352.742730 where: bonds (distance) C4'-P energy: -102.379 bonds (distance) P-C4' energy: -107.302 flat angles C4'-P-C4' energy: -95.934 flat angles P-C4'-P energy: -59.134 tors. eta vs tors. theta energy: 12.007 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: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -500.423424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.423424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.423424 (E_RNA) where: Base-Base interactions energy: -168.096 where: short stacking energy: -120.856 Base-Backbone interact. energy: 0.132 local terms energy: -332.458799 where: bonds (distance) C4'-P energy: -84.932 bonds (distance) P-C4' energy: -110.794 flat angles C4'-P-C4' energy: -93.893 flat angles P-C4'-P energy: -64.774 tors. eta vs tors. theta energy: 21.934 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: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1860.060199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.060199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.060199 (E_RNA) where: Base-Base interactions energy: -1206.254 where: short stacking energy: -553.941 Base-Backbone interact. energy: -4.731 local terms energy: -649.074978 where: bonds (distance) C4'-P energy: -138.961 bonds (distance) P-C4' energy: -125.070 flat angles C4'-P-C4' energy: -138.653 flat angles P-C4'-P energy: -85.489 tors. eta vs tors. theta energy: -160.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1723.541956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.541956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.541956 (E_RNA) where: Base-Base interactions energy: -1151.441 where: short stacking energy: -527.258 Base-Backbone interact. energy: -1.917 local terms energy: -570.184460 where: bonds (distance) C4'-P energy: -114.461 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -126.531 flat angles P-C4'-P energy: -85.326 tors. eta vs tors. theta energy: -124.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1631.209746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.209746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.209746 (E_RNA) where: Base-Base interactions energy: -1049.063 where: short stacking energy: -503.062 Base-Backbone interact. energy: -2.995 local terms energy: -579.151144 where: bonds (distance) C4'-P energy: -126.840 bonds (distance) P-C4' energy: -117.134 flat angles C4'-P-C4' energy: -124.785 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -122.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1446.002272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.002272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.002272 (E_RNA) where: Base-Base interactions energy: -917.996 where: short stacking energy: -436.666 Base-Backbone interact. energy: -0.571 local terms energy: -527.436147 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -114.048 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -66.961 tors. eta vs tors. theta energy: -98.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1473.954062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.954062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.954062 (E_RNA) where: Base-Base interactions energy: -947.013 where: short stacking energy: -454.968 Base-Backbone interact. energy: -2.800 local terms energy: -524.140357 where: bonds (distance) C4'-P energy: -98.836 bonds (distance) P-C4' energy: -114.280 flat angles C4'-P-C4' energy: -121.481 flat angles P-C4'-P energy: -78.264 tors. eta vs tors. theta energy: -111.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1275.603366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.603366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.603366 (E_RNA) where: Base-Base interactions energy: -758.437 where: short stacking energy: -387.121 Base-Backbone interact. energy: 0.825 local terms energy: -517.991568 where: bonds (distance) C4'-P energy: -124.883 bonds (distance) P-C4' energy: -110.478 flat angles C4'-P-C4' energy: -115.345 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -98.889 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: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -930.579485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.579485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.579485 (E_RNA) where: Base-Base interactions energy: -511.188 where: short stacking energy: -300.349 Base-Backbone interact. energy: -0.811 local terms energy: -418.580350 where: bonds (distance) C4'-P energy: -100.846 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -61.299 tors. eta vs tors. theta energy: -31.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -756.967838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.967838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.967838 (E_RNA) where: Base-Base interactions energy: -408.407 where: short stacking energy: -236.572 Base-Backbone interact. energy: -1.693 local terms energy: -346.867188 where: bonds (distance) C4'-P energy: -107.963 bonds (distance) P-C4' energy: -109.846 flat angles C4'-P-C4' energy: -86.975 flat angles P-C4'-P energy: -45.855 tors. eta vs tors. theta energy: 3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -608.798438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.798438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.798438 (E_RNA) where: Base-Base interactions energy: -257.288 where: short stacking energy: -190.350 Base-Backbone interact. energy: 2.812 local terms energy: -354.322813 where: bonds (distance) C4'-P energy: -105.512 bonds (distance) P-C4' energy: -115.247 flat angles C4'-P-C4' energy: -69.717 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -7.720 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: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -485.676108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.676108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.676108 (E_RNA) where: Base-Base interactions energy: -190.343 where: short stacking energy: -136.109 Base-Backbone interact. energy: 2.334 local terms energy: -297.667032 where: bonds (distance) C4'-P energy: -105.513 bonds (distance) P-C4' energy: -100.746 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -39.141 tors. eta vs tors. theta energy: 35.005 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: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1877.532077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.532077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.532077 (E_RNA) where: Base-Base interactions energy: -1230.446 where: short stacking energy: -560.119 Base-Backbone interact. energy: -1.390 local terms energy: -645.696099 where: bonds (distance) C4'-P energy: -125.788 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -136.479 flat angles P-C4'-P energy: -87.618 tors. eta vs tors. theta energy: -163.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1713.350957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.350957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.350957 (E_RNA) where: Base-Base interactions energy: -1140.161 where: short stacking energy: -467.634 Base-Backbone interact. energy: -4.583 local terms energy: -568.606223 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -119.648 flat angles P-C4'-P energy: -89.660 tors. eta vs tors. theta energy: -115.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1671.756197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.756197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.756197 (E_RNA) where: Base-Base interactions energy: -1083.234 where: short stacking energy: -495.962 Base-Backbone interact. energy: -1.305 local terms energy: -587.217271 where: bonds (distance) C4'-P energy: -116.637 bonds (distance) P-C4' energy: -130.443 flat angles C4'-P-C4' energy: -134.155 flat angles P-C4'-P energy: -73.319 tors. eta vs tors. theta energy: -132.664 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: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1497.973250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.973250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.973250 (E_RNA) where: Base-Base interactions energy: -944.594 where: short stacking energy: -453.244 Base-Backbone interact. energy: -2.062 local terms energy: -551.317177 where: bonds (distance) C4'-P energy: -118.932 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -129.255 flat angles P-C4'-P energy: -67.893 tors. eta vs tors. theta energy: -124.516 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: 30 Temperature: 1.100000 Total energy: -1449.869000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.869000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.869000 (E_RNA) where: Base-Base interactions energy: -902.572 where: short stacking energy: -390.316 Base-Backbone interact. energy: -0.883 local terms energy: -546.414637 where: bonds (distance) C4'-P energy: -129.269 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -123.166 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -104.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1319.819120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.819120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.819120 (E_RNA) where: Base-Base interactions energy: -827.680 where: short stacking energy: -388.530 Base-Backbone interact. energy: -2.900 local terms energy: -489.239535 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -96.738 flat angles C4'-P-C4' energy: -119.131 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -94.695 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: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -950.776672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.776672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.776672 (E_RNA) where: Base-Base interactions energy: -523.816 where: short stacking energy: -307.964 Base-Backbone interact. energy: 3.837 local terms energy: -430.797345 where: bonds (distance) C4'-P energy: -98.025 bonds (distance) P-C4' energy: -120.286 flat angles C4'-P-C4' energy: -104.839 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -52.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -744.236227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.236227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.236227 (E_RNA) where: Base-Base interactions energy: -362.525 where: short stacking energy: -211.364 Base-Backbone interact. energy: -3.746 local terms energy: -377.965062 where: bonds (distance) C4'-P energy: -119.994 bonds (distance) P-C4' energy: -91.865 flat angles C4'-P-C4' energy: -88.615 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -9.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -584.815098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.815098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.815098 (E_RNA) where: Base-Base interactions energy: -266.145 where: short stacking energy: -185.998 Base-Backbone interact. energy: 3.627 local terms energy: -322.296910 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -91.773 flat angles C4'-P-C4' energy: -100.910 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: 15.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -542.032446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.032446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.032446 (E_RNA) where: Base-Base interactions energy: -205.243 where: short stacking energy: -143.705 Base-Backbone interact. energy: 0.685 local terms energy: -337.474603 where: bonds (distance) C4'-P energy: -99.923 bonds (distance) P-C4' energy: -116.385 flat angles C4'-P-C4' energy: -86.891 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: 10.399 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: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1872.028511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.028511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.028511 (E_RNA) where: Base-Base interactions energy: -1243.749 where: short stacking energy: -598.166 Base-Backbone interact. energy: -3.550 local terms energy: -624.729246 where: bonds (distance) C4'-P energy: -118.537 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -144.924 flat angles P-C4'-P energy: -80.285 tors. eta vs tors. theta energy: -156.238 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: 31 Temperature: 0.950000 Total energy: -1742.933895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.933895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.933895 (E_RNA) where: Base-Base interactions energy: -1177.429 where: short stacking energy: -530.526 Base-Backbone interact. energy: 3.449 local terms energy: -568.953945 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -127.084 flat angles C4'-P-C4' energy: -120.925 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -125.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1692.844713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.844713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.844713 (E_RNA) where: Base-Base interactions energy: -1095.845 where: short stacking energy: -525.914 Base-Backbone interact. energy: -1.581 local terms energy: -595.418512 where: bonds (distance) C4'-P energy: -121.000 bonds (distance) P-C4' energy: -121.155 flat angles C4'-P-C4' energy: -124.637 flat angles P-C4'-P energy: -86.753 tors. eta vs tors. theta energy: -141.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1557.568043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.568043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.568043 (E_RNA) where: Base-Base interactions energy: -1028.668 where: short stacking energy: -496.894 Base-Backbone interact. energy: -2.514 local terms energy: -526.386295 where: bonds (distance) C4'-P energy: -100.498 bonds (distance) P-C4' energy: -102.439 flat angles C4'-P-C4' energy: -124.579 flat angles P-C4'-P energy: -87.435 tors. eta vs tors. theta energy: -111.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1415.970816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.970816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.970816 (E_RNA) where: Base-Base interactions energy: -894.012 where: short stacking energy: -444.344 Base-Backbone interact. energy: -1.700 local terms energy: -520.259644 where: bonds (distance) C4'-P energy: -105.601 bonds (distance) P-C4' energy: -133.630 flat angles C4'-P-C4' energy: -112.101 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -111.900 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: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1267.324921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.324921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.324921 (E_RNA) where: Base-Base interactions energy: -761.507 where: short stacking energy: -368.789 Base-Backbone interact. energy: -2.947 local terms energy: -502.870610 where: bonds (distance) C4'-P energy: -116.402 bonds (distance) P-C4' energy: -124.408 flat angles C4'-P-C4' energy: -116.460 flat angles P-C4'-P energy: -72.453 tors. eta vs tors. theta energy: -73.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -936.309837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.309837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.309837 (E_RNA) where: Base-Base interactions energy: -494.827 where: short stacking energy: -300.923 Base-Backbone interact. energy: -2.739 local terms energy: -438.743570 where: bonds (distance) C4'-P energy: -127.604 bonds (distance) P-C4' energy: -107.029 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -71.072 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: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -861.860947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.860947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.860947 (E_RNA) where: Base-Base interactions energy: -459.148 where: short stacking energy: -246.345 Base-Backbone interact. energy: -1.240 local terms energy: -401.473509 where: bonds (distance) C4'-P energy: -113.170 bonds (distance) P-C4' energy: -107.386 flat angles C4'-P-C4' energy: -95.166 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -25.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -572.344168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.344168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.344168 (E_RNA) where: Base-Base interactions energy: -231.885 where: short stacking energy: -156.674 Base-Backbone interact. energy: 2.174 local terms energy: -342.632463 where: bonds (distance) C4'-P energy: -89.407 bonds (distance) P-C4' energy: -120.476 flat angles C4'-P-C4' energy: -103.424 flat angles P-C4'-P energy: -53.729 tors. eta vs tors. theta energy: 24.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -571.200557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.200557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.200557 (E_RNA) where: Base-Base interactions energy: -230.168 where: short stacking energy: -164.818 Base-Backbone interact. energy: -1.017 local terms energy: -340.015322 where: bonds (distance) C4'-P energy: -94.575 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -94.473 flat angles P-C4'-P energy: -49.705 tors. eta vs tors. theta energy: 2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1908.921244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.921244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.921244 (E_RNA) where: Base-Base interactions energy: -1288.879 where: short stacking energy: -546.953 Base-Backbone interact. energy: -4.182 local terms energy: -615.860194 where: bonds (distance) C4'-P energy: -122.013 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -132.789 flat angles P-C4'-P energy: -89.897 tors. eta vs tors. theta energy: -149.059 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: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1767.109549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.109549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.109549 (E_RNA) where: Base-Base interactions energy: -1185.930 where: short stacking energy: -495.425 Base-Backbone interact. energy: -1.990 local terms energy: -579.189657 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -112.784 flat angles C4'-P-C4' energy: -128.677 flat angles P-C4'-P energy: -85.447 tors. eta vs tors. theta energy: -135.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1662.205817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.205817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.205817 (E_RNA) where: Base-Base interactions energy: -1048.488 where: short stacking energy: -492.772 Base-Backbone interact. energy: -3.770 local terms energy: -609.947328 where: bonds (distance) C4'-P energy: -125.579 bonds (distance) P-C4' energy: -130.961 flat angles C4'-P-C4' energy: -124.045 flat angles P-C4'-P energy: -85.863 tors. eta vs tors. theta energy: -143.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1516.642013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.642013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.642013 (E_RNA) where: Base-Base interactions energy: -958.764 where: short stacking energy: -452.098 Base-Backbone interact. energy: -3.171 local terms energy: -554.706395 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -110.026 flat angles C4'-P-C4' energy: -135.392 flat angles P-C4'-P energy: -77.649 tors. eta vs tors. theta energy: -109.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1408.050569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.050569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.050569 (E_RNA) where: Base-Base interactions energy: -882.415 where: short stacking energy: -423.060 Base-Backbone interact. energy: 0.405 local terms energy: -526.040492 where: bonds (distance) C4'-P energy: -110.896 bonds (distance) P-C4' energy: -122.445 flat angles C4'-P-C4' energy: -133.192 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -92.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1172.763254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.763254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.763254 (E_RNA) where: Base-Base interactions energy: -716.084 where: short stacking energy: -370.524 Base-Backbone interact. energy: -1.783 local terms energy: -454.896716 where: bonds (distance) C4'-P energy: -98.879 bonds (distance) P-C4' energy: -107.960 flat angles C4'-P-C4' energy: -121.054 flat angles P-C4'-P energy: -60.611 tors. eta vs tors. theta energy: -66.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -929.210587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.210587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.210587 (E_RNA) where: Base-Base interactions energy: -535.178 where: short stacking energy: -293.217 Base-Backbone interact. energy: 3.572 local terms energy: -397.605148 where: bonds (distance) C4'-P energy: -101.651 bonds (distance) P-C4' energy: -105.210 flat angles C4'-P-C4' energy: -82.831 flat angles P-C4'-P energy: -61.852 tors. eta vs tors. theta energy: -46.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -876.268939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.268939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.268939 (E_RNA) where: Base-Base interactions energy: -473.995 where: short stacking energy: -295.546 Base-Backbone interact. energy: 0.691 local terms energy: -402.964728 where: bonds (distance) C4'-P energy: -96.326 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -105.041 flat angles P-C4'-P energy: -61.372 tors. eta vs tors. theta energy: -31.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -589.890287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.890287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.890287 (E_RNA) where: Base-Base interactions energy: -268.165 where: short stacking energy: -180.800 Base-Backbone interact. energy: 0.094 local terms energy: -321.818913 where: bonds (distance) C4'-P energy: -86.615 bonds (distance) P-C4' energy: -116.449 flat angles C4'-P-C4' energy: -94.962 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: 20.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -564.069884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.069884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.069884 (E_RNA) where: Base-Base interactions energy: -237.937 where: short stacking energy: -176.362 Base-Backbone interact. energy: 2.885 local terms energy: -329.018753 where: bonds (distance) C4'-P energy: -99.155 bonds (distance) P-C4' energy: -98.110 flat angles C4'-P-C4' energy: -77.191 flat angles P-C4'-P energy: -48.500 tors. eta vs tors. theta energy: -6.063 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: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1869.346255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.346255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.346255 (E_RNA) where: Base-Base interactions energy: -1262.716 where: short stacking energy: -552.011 Base-Backbone interact. energy: -5.123 local terms energy: -601.507073 where: bonds (distance) C4'-P energy: -118.239 bonds (distance) P-C4' energy: -116.069 flat angles C4'-P-C4' energy: -130.247 flat angles P-C4'-P energy: -84.302 tors. eta vs tors. theta energy: -152.649 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: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1779.106575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.106575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.106575 (E_RNA) where: Base-Base interactions energy: -1184.809 where: short stacking energy: -499.750 Base-Backbone interact. energy: -1.481 local terms energy: -592.816661 where: bonds (distance) C4'-P energy: -130.591 bonds (distance) P-C4' energy: -108.924 flat angles C4'-P-C4' energy: -120.410 flat angles P-C4'-P energy: -96.381 tors. eta vs tors. theta energy: -136.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1669.016260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.016260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.016260 (E_RNA) where: Base-Base interactions energy: -1088.335 where: short stacking energy: -515.971 Base-Backbone interact. energy: -3.408 local terms energy: -577.273208 where: bonds (distance) C4'-P energy: -110.060 bonds (distance) P-C4' energy: -128.625 flat angles C4'-P-C4' energy: -129.578 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -142.932 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: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1520.570496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.570496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.570496 (E_RNA) where: Base-Base interactions energy: -992.426 where: short stacking energy: -479.764 Base-Backbone interact. energy: -0.797 local terms energy: -527.347449 where: bonds (distance) C4'-P energy: -112.971 bonds (distance) P-C4' energy: -108.239 flat angles C4'-P-C4' energy: -129.666 flat angles P-C4'-P energy: -74.244 tors. eta vs tors. theta energy: -102.227 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: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1381.260474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.260474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.260474 (E_RNA) where: Base-Base interactions energy: -853.518 where: short stacking energy: -438.980 Base-Backbone interact. energy: -2.503 local terms energy: -525.239232 where: bonds (distance) C4'-P energy: -114.116 bonds (distance) P-C4' energy: -123.253 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -72.751 tors. eta vs tors. theta energy: -107.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1185.011399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.011399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.011399 (E_RNA) where: Base-Base interactions energy: -707.764 where: short stacking energy: -326.175 Base-Backbone interact. energy: 2.903 local terms energy: -480.150784 where: bonds (distance) C4'-P energy: -110.782 bonds (distance) P-C4' energy: -112.423 flat angles C4'-P-C4' energy: -113.114 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -72.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -921.258084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.258084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.258084 (E_RNA) where: Base-Base interactions energy: -490.659 where: short stacking energy: -278.074 Base-Backbone interact. energy: 2.471 local terms energy: -433.069800 where: bonds (distance) C4'-P energy: -111.297 bonds (distance) P-C4' energy: -121.242 flat angles C4'-P-C4' energy: -113.530 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -37.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -798.863108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.863108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.863108 (E_RNA) where: Base-Base interactions energy: -420.451 where: short stacking energy: -245.803 Base-Backbone interact. energy: -0.956 local terms energy: -377.455813 where: bonds (distance) C4'-P energy: -96.228 bonds (distance) P-C4' energy: -110.824 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -47.750 tors. eta vs tors. theta energy: -21.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -588.257600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.257600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.257600 (E_RNA) where: Base-Base interactions energy: -245.176 where: short stacking energy: -162.514 Base-Backbone interact. energy: -4.126 local terms energy: -338.955795 where: bonds (distance) C4'-P energy: -99.644 bonds (distance) P-C4' energy: -111.167 flat angles C4'-P-C4' energy: -85.576 flat angles P-C4'-P energy: -54.358 tors. eta vs tors. theta energy: 11.789 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: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -575.036146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.036146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.036146 (E_RNA) where: Base-Base interactions energy: -251.986 where: short stacking energy: -168.846 Base-Backbone interact. energy: 4.132 local terms energy: -327.182302 where: bonds (distance) C4'-P energy: -99.180 bonds (distance) P-C4' energy: -125.178 flat angles C4'-P-C4' energy: -88.630 flat angles P-C4'-P energy: -38.378 tors. eta vs tors. theta energy: 24.184 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: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1874.095411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.095411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.095411 (E_RNA) where: Base-Base interactions energy: -1237.601 where: short stacking energy: -585.866 Base-Backbone interact. energy: -5.135 local terms energy: -631.359560 where: bonds (distance) C4'-P energy: -135.955 bonds (distance) P-C4' energy: -121.728 flat angles C4'-P-C4' energy: -128.691 flat angles P-C4'-P energy: -97.479 tors. eta vs tors. theta energy: -147.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1762.502510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.502510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.502510 (E_RNA) where: Base-Base interactions energy: -1171.843 where: short stacking energy: -489.450 Base-Backbone interact. energy: -0.318 local terms energy: -590.342127 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -120.435 flat angles C4'-P-C4' energy: -132.325 flat angles P-C4'-P energy: -82.845 tors. eta vs tors. theta energy: -127.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1629.065827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.065827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.065827 (E_RNA) where: Base-Base interactions energy: -1063.919 where: short stacking energy: -497.732 Base-Backbone interact. energy: -2.329 local terms energy: -562.817950 where: bonds (distance) C4'-P energy: -105.183 bonds (distance) P-C4' energy: -127.339 flat angles C4'-P-C4' energy: -122.076 flat angles P-C4'-P energy: -74.698 tors. eta vs tors. theta energy: -133.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1531.403158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.403158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.403158 (E_RNA) where: Base-Base interactions energy: -975.671 where: short stacking energy: -431.701 Base-Backbone interact. energy: -2.663 local terms energy: -553.068993 where: bonds (distance) C4'-P energy: -119.833 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -134.794 flat angles P-C4'-P energy: -75.798 tors. eta vs tors. theta energy: -95.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1371.184923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.184923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.184923 (E_RNA) where: Base-Base interactions energy: -849.197 where: short stacking energy: -400.688 Base-Backbone interact. energy: -1.596 local terms energy: -520.392308 where: bonds (distance) C4'-P energy: -113.587 bonds (distance) P-C4' energy: -112.409 flat angles C4'-P-C4' energy: -122.574 flat angles P-C4'-P energy: -66.294 tors. eta vs tors. theta energy: -105.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1242.037444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.037444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.037444 (E_RNA) where: Base-Base interactions energy: -764.865 where: short stacking energy: -382.302 Base-Backbone interact. energy: -2.240 local terms energy: -474.932166 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -107.501 flat angles C4'-P-C4' energy: -128.195 flat angles P-C4'-P energy: -87.022 tors. eta vs tors. theta energy: -67.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -914.572504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.572504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.572504 (E_RNA) where: Base-Base interactions energy: -520.807 where: short stacking energy: -272.923 Base-Backbone interact. energy: 2.939 local terms energy: -396.704097 where: bonds (distance) C4'-P energy: -98.948 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -100.914 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -33.136 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: 34 Temperature: 1.250000 Total energy: -844.395723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.395723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.395723 (E_RNA) where: Base-Base interactions energy: -408.007 where: short stacking energy: -235.769 Base-Backbone interact. energy: 1.258 local terms energy: -437.646178 where: bonds (distance) C4'-P energy: -104.403 bonds (distance) P-C4' energy: -123.322 flat angles C4'-P-C4' energy: -125.108 flat angles P-C4'-P energy: -62.314 tors. eta vs tors. theta energy: -22.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -600.865700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.865700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.865700 (E_RNA) where: Base-Base interactions energy: -234.305 where: short stacking energy: -178.616 Base-Backbone interact. energy: -1.772 local terms energy: -364.788909 where: bonds (distance) C4'-P energy: -115.462 bonds (distance) P-C4' energy: -109.841 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -60.977 tors. eta vs tors. theta energy: -3.406 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: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -551.578976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.578976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.578976 (E_RNA) where: Base-Base interactions energy: -219.236 where: short stacking energy: -164.746 Base-Backbone interact. energy: -0.024 local terms energy: -332.319268 where: bonds (distance) C4'-P energy: -102.921 bonds (distance) P-C4' energy: -112.854 flat angles C4'-P-C4' energy: -89.925 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: 17.493 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: 35 Temperature: 0.900000 Total energy: -1896.596035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.596035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.596035 (E_RNA) where: Base-Base interactions energy: -1280.639 where: short stacking energy: -569.719 Base-Backbone interact. energy: -3.725 local terms energy: -612.231673 where: bonds (distance) C4'-P energy: -115.064 bonds (distance) P-C4' energy: -136.431 flat angles C4'-P-C4' energy: -130.350 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -150.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1794.544380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.544380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.544380 (E_RNA) where: Base-Base interactions energy: -1190.682 where: short stacking energy: -539.867 Base-Backbone interact. energy: -0.183 local terms energy: -603.679300 where: bonds (distance) C4'-P energy: -122.196 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -140.729 flat angles P-C4'-P energy: -73.142 tors. eta vs tors. theta energy: -137.172 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: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1678.160546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.160546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.160546 (E_RNA) where: Base-Base interactions energy: -1077.480 where: short stacking energy: -519.947 Base-Backbone interact. energy: -3.083 local terms energy: -597.597055 where: bonds (distance) C4'-P energy: -127.912 bonds (distance) P-C4' energy: -126.226 flat angles C4'-P-C4' energy: -121.621 flat angles P-C4'-P energy: -89.640 tors. eta vs tors. theta energy: -132.198 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: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1560.121998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.121998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.121998 (E_RNA) where: Base-Base interactions energy: -1009.115 where: short stacking energy: -474.546 Base-Backbone interact. energy: -3.956 local terms energy: -547.051157 where: bonds (distance) C4'-P energy: -107.021 bonds (distance) P-C4' energy: -118.262 flat angles C4'-P-C4' energy: -115.985 flat angles P-C4'-P energy: -90.082 tors. eta vs tors. theta energy: -115.701 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: 35 Temperature: 1.100000 Total energy: -1422.978939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.978939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.978939 (E_RNA) where: Base-Base interactions energy: -864.911 where: short stacking energy: -446.378 Base-Backbone interact. energy: -1.841 local terms energy: -556.227062 where: bonds (distance) C4'-P energy: -122.432 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -120.951 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -106.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1286.955756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.955756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.955756 (E_RNA) where: Base-Base interactions energy: -805.869 where: short stacking energy: -369.540 Base-Backbone interact. energy: -0.913 local terms energy: -480.173462 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -112.483 flat angles C4'-P-C4' energy: -113.388 flat angles P-C4'-P energy: -73.468 tors. eta vs tors. theta energy: -74.148 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: 35 Temperature: 1.200000 Total energy: -956.026500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.026500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.026500 (E_RNA) where: Base-Base interactions energy: -490.622 where: short stacking energy: -265.599 Base-Backbone interact. energy: 4.026 local terms energy: -469.430820 where: bonds (distance) C4'-P energy: -96.635 bonds (distance) P-C4' energy: -115.688 flat angles C4'-P-C4' energy: -123.032 flat angles P-C4'-P energy: -80.024 tors. eta vs tors. theta energy: -54.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -769.710415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.710415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.710415 (E_RNA) where: Base-Base interactions energy: -404.172 where: short stacking energy: -216.533 Base-Backbone interact. energy: 4.894 local terms energy: -370.431723 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -118.302 flat angles C4'-P-C4' energy: -103.511 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: 8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -590.133271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.133271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.133271 (E_RNA) where: Base-Base interactions energy: -247.273 where: short stacking energy: -171.237 Base-Backbone interact. energy: 1.035 local terms energy: -343.894914 where: bonds (distance) C4'-P energy: -107.797 bonds (distance) P-C4' energy: -95.637 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: 8.489 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: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -536.987335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.987335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.987335 (E_RNA) where: Base-Base interactions energy: -226.096 where: short stacking energy: -169.065 Base-Backbone interact. energy: -1.591 local terms energy: -309.299845 where: bonds (distance) C4'-P energy: -95.455 bonds (distance) P-C4' energy: -93.628 flat angles C4'-P-C4' energy: -93.772 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: 22.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1863.248834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.248834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.248834 (E_RNA) where: Base-Base interactions energy: -1226.537 where: short stacking energy: -550.149 Base-Backbone interact. energy: -2.938 local terms energy: -633.773554 where: bonds (distance) C4'-P energy: -114.411 bonds (distance) P-C4' energy: -129.960 flat angles C4'-P-C4' energy: -144.719 flat angles P-C4'-P energy: -94.820 tors. eta vs tors. theta energy: -149.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1819.832251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.832251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.832251 (E_RNA) where: Base-Base interactions energy: -1178.793 where: short stacking energy: -533.232 Base-Backbone interact. energy: -2.706 local terms energy: -638.333179 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -125.599 flat angles C4'-P-C4' energy: -141.623 flat angles P-C4'-P energy: -83.073 tors. eta vs tors. theta energy: -149.457 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: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1717.203777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.203777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.203777 (E_RNA) where: Base-Base interactions energy: -1084.524 where: short stacking energy: -507.089 Base-Backbone interact. energy: -0.461 local terms energy: -632.219340 where: bonds (distance) C4'-P energy: -121.955 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -134.515 flat angles P-C4'-P energy: -84.598 tors. eta vs tors. theta energy: -153.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1597.124041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.124041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.124041 (E_RNA) where: Base-Base interactions energy: -1024.916 where: short stacking energy: -494.785 Base-Backbone interact. energy: -1.511 local terms energy: -570.697600 where: bonds (distance) C4'-P energy: -130.501 bonds (distance) P-C4' energy: -106.897 flat angles C4'-P-C4' energy: -126.196 flat angles P-C4'-P energy: -89.263 tors. eta vs tors. theta energy: -117.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1370.915841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.915841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.915841 (E_RNA) where: Base-Base interactions energy: -862.424 where: short stacking energy: -422.886 Base-Backbone interact. energy: 2.737 local terms energy: -511.228823 where: bonds (distance) C4'-P energy: -109.651 bonds (distance) P-C4' energy: -113.966 flat angles C4'-P-C4' energy: -121.750 flat angles P-C4'-P energy: -66.257 tors. eta vs tors. theta energy: -99.606 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: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1289.472981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.472981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.472981 (E_RNA) where: Base-Base interactions energy: -812.051 where: short stacking energy: -400.496 Base-Backbone interact. energy: -3.000 local terms energy: -474.422216 where: bonds (distance) C4'-P energy: -103.580 bonds (distance) P-C4' energy: -105.195 flat angles C4'-P-C4' energy: -108.231 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -85.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1039.383077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.383077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.383077 (E_RNA) where: Base-Base interactions energy: -601.682 where: short stacking energy: -315.140 Base-Backbone interact. energy: -3.691 local terms energy: -434.010081 where: bonds (distance) C4'-P energy: -108.203 bonds (distance) P-C4' energy: -100.514 flat angles C4'-P-C4' energy: -98.303 flat angles P-C4'-P energy: -76.369 tors. eta vs tors. theta energy: -50.620 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: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -807.501819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.501819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.501819 (E_RNA) where: Base-Base interactions energy: -434.826 where: short stacking energy: -258.524 Base-Backbone interact. energy: 3.623 local terms energy: -376.299126 where: bonds (distance) C4'-P energy: -89.285 bonds (distance) P-C4' energy: -99.264 flat angles C4'-P-C4' energy: -100.975 flat angles P-C4'-P energy: -60.798 tors. eta vs tors. theta energy: -25.978 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: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -602.489568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.489568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.489568 (E_RNA) where: Base-Base interactions energy: -274.274 where: short stacking energy: -175.477 Base-Backbone interact. energy: -3.555 local terms energy: -324.660676 where: bonds (distance) C4'-P energy: -95.571 bonds (distance) P-C4' energy: -107.131 flat angles C4'-P-C4' energy: -78.423 flat angles P-C4'-P energy: -50.260 tors. eta vs tors. theta energy: 6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -523.500706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.500706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.500706 (E_RNA) where: Base-Base interactions energy: -222.394 where: short stacking energy: -141.978 Base-Backbone interact. energy: 5.046 local terms energy: -306.152349 where: bonds (distance) C4'-P energy: -102.847 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -84.579 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: 25.664 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1888.683006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.683006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.683006 (E_RNA) where: Base-Base interactions energy: -1287.444 where: short stacking energy: -563.120 Base-Backbone interact. energy: -6.423 local terms energy: -594.816192 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -122.995 flat angles C4'-P-C4' energy: -124.547 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -159.566 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: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1771.259620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.259620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.259620 (E_RNA) where: Base-Base interactions energy: -1168.676 where: short stacking energy: -493.477 Base-Backbone interact. energy: -3.481 local terms energy: -599.102744 where: bonds (distance) C4'-P energy: -108.121 bonds (distance) P-C4' energy: -145.472 flat angles C4'-P-C4' energy: -126.840 flat angles P-C4'-P energy: -76.139 tors. eta vs tors. theta energy: -142.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1716.742514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.742514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.742514 (E_RNA) where: Base-Base interactions energy: -1104.124 where: short stacking energy: -538.427 Base-Backbone interact. energy: -2.878 local terms energy: -609.740755 where: bonds (distance) C4'-P energy: -116.373 bonds (distance) P-C4' energy: -119.607 flat angles C4'-P-C4' energy: -136.196 flat angles P-C4'-P energy: -89.745 tors. eta vs tors. theta energy: -147.819 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: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1610.327719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.327719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.327719 (E_RNA) where: Base-Base interactions energy: -1050.248 where: short stacking energy: -476.682 Base-Backbone interact. energy: 4.599 local terms energy: -564.678211 where: bonds (distance) C4'-P energy: -114.452 bonds (distance) P-C4' energy: -110.574 flat angles C4'-P-C4' energy: -138.069 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -116.690 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: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1388.857551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.857551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.857551 (E_RNA) where: Base-Base interactions energy: -860.425 where: short stacking energy: -435.725 Base-Backbone interact. energy: 2.533 local terms energy: -530.966253 where: bonds (distance) C4'-P energy: -113.782 bonds (distance) P-C4' energy: -116.847 flat angles C4'-P-C4' energy: -125.166 flat angles P-C4'-P energy: -71.129 tors. eta vs tors. theta energy: -104.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1300.576110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.576110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.576110 (E_RNA) where: Base-Base interactions energy: -822.119 where: short stacking energy: -370.057 Base-Backbone interact. energy: 1.263 local terms energy: -479.719405 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -103.242 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -51.423 tors. eta vs tors. theta energy: -83.032 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: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1003.319639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.319639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.319639 (E_RNA) where: Base-Base interactions energy: -592.899 where: short stacking energy: -307.571 Base-Backbone interact. energy: -3.287 local terms energy: -407.134154 where: bonds (distance) C4'-P energy: -96.039 bonds (distance) P-C4' energy: -113.149 flat angles C4'-P-C4' energy: -107.323 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: -37.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -823.208681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.208681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.208681 (E_RNA) where: Base-Base interactions energy: -467.260 where: short stacking energy: -233.090 Base-Backbone interact. energy: -3.501 local terms energy: -352.446792 where: bonds (distance) C4'-P energy: -95.377 bonds (distance) P-C4' energy: -96.192 flat angles C4'-P-C4' energy: -88.127 flat angles P-C4'-P energy: -54.805 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: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -568.986512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.986512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.986512 (E_RNA) where: Base-Base interactions energy: -234.127 where: short stacking energy: -175.348 Base-Backbone interact. energy: 0.843 local terms energy: -335.702474 where: bonds (distance) C4'-P energy: -85.711 bonds (distance) P-C4' energy: -126.602 flat angles C4'-P-C4' energy: -60.640 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -10.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -515.943664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.943664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.943664 (E_RNA) where: Base-Base interactions energy: -201.860 where: short stacking energy: -176.929 Base-Backbone interact. energy: 2.470 local terms energy: -316.552791 where: bonds (distance) C4'-P energy: -93.860 bonds (distance) P-C4' energy: -106.871 flat angles C4'-P-C4' energy: -72.513 flat angles P-C4'-P energy: -43.372 tors. eta vs tors. theta energy: 0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1911.245811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.245811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.245811 (E_RNA) where: Base-Base interactions energy: -1266.614 where: short stacking energy: -558.119 Base-Backbone interact. energy: -5.862 local terms energy: -638.769438 where: bonds (distance) C4'-P energy: -128.095 bonds (distance) P-C4' energy: -131.106 flat angles C4'-P-C4' energy: -133.667 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -153.716 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: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1793.165238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.165238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.165238 (E_RNA) where: Base-Base interactions energy: -1187.067 where: short stacking energy: -516.018 Base-Backbone interact. energy: 0.415 local terms energy: -606.513793 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -135.437 flat angles C4'-P-C4' energy: -123.740 flat angles P-C4'-P energy: -79.206 tors. eta vs tors. theta energy: -148.228 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: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1709.785814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.785814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.785814 (E_RNA) where: Base-Base interactions energy: -1102.704 where: short stacking energy: -509.872 Base-Backbone interact. energy: -0.801 local terms energy: -606.280933 where: bonds (distance) C4'-P energy: -121.281 bonds (distance) P-C4' energy: -122.744 flat angles C4'-P-C4' energy: -135.150 flat angles P-C4'-P energy: -80.991 tors. eta vs tors. theta energy: -146.114 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: 38 Temperature: 1.050000 Total energy: -1584.824901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.824901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.824901 (E_RNA) where: Base-Base interactions energy: -1028.023 where: short stacking energy: -461.166 Base-Backbone interact. energy: -0.457 local terms energy: -556.345345 where: bonds (distance) C4'-P energy: -114.097 bonds (distance) P-C4' energy: -116.142 flat angles C4'-P-C4' energy: -121.740 flat angles P-C4'-P energy: -88.397 tors. eta vs tors. theta energy: -115.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1363.842281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.842281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.842281 (E_RNA) where: Base-Base interactions energy: -838.405 where: short stacking energy: -397.068 Base-Backbone interact. energy: 0.807 local terms energy: -526.244323 where: bonds (distance) C4'-P energy: -94.203 bonds (distance) P-C4' energy: -128.178 flat angles C4'-P-C4' energy: -133.331 flat angles P-C4'-P energy: -75.559 tors. eta vs tors. theta energy: -94.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1292.925403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.925403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.925403 (E_RNA) where: Base-Base interactions energy: -797.853 where: short stacking energy: -396.217 Base-Backbone interact. energy: -1.668 local terms energy: -493.404911 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -113.354 flat angles C4'-P-C4' energy: -111.964 flat angles P-C4'-P energy: -67.679 tors. eta vs tors. theta energy: -95.231 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -977.605710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.605710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.605710 (E_RNA) where: Base-Base interactions energy: -571.432 where: short stacking energy: -292.118 Base-Backbone interact. energy: -1.382 local terms energy: -404.791492 where: bonds (distance) C4'-P energy: -93.552 bonds (distance) P-C4' energy: -116.574 flat angles C4'-P-C4' energy: -108.172 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -26.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -832.505035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.505035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.505035 (E_RNA) where: Base-Base interactions energy: -456.379 where: short stacking energy: -273.776 Base-Backbone interact. energy: 2.485 local terms energy: -378.611069 where: bonds (distance) C4'-P energy: -81.948 bonds (distance) P-C4' energy: -86.244 flat angles C4'-P-C4' energy: -115.017 flat angles P-C4'-P energy: -62.115 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: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -603.381173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.381173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.381173 (E_RNA) where: Base-Base interactions energy: -226.894 where: short stacking energy: -179.576 Base-Backbone interact. energy: -1.173 local terms energy: -375.314029 where: bonds (distance) C4'-P energy: -104.475 bonds (distance) P-C4' energy: -111.374 flat angles C4'-P-C4' energy: -102.735 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: 0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -493.169119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.169119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.169119 (E_RNA) where: Base-Base interactions energy: -178.353 where: short stacking energy: -169.988 Base-Backbone interact. energy: 1.773 local terms energy: -316.588722 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -93.763 flat angles C4'-P-C4' energy: -74.760 flat angles P-C4'-P energy: -47.383 tors. eta vs tors. theta energy: -0.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1876.217404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.217404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.217404 (E_RNA) where: Base-Base interactions energy: -1238.587 where: short stacking energy: -579.691 Base-Backbone interact. energy: 1.338 local terms energy: -638.967527 where: bonds (distance) C4'-P energy: -116.924 bonds (distance) P-C4' energy: -137.029 flat angles C4'-P-C4' energy: -131.795 flat angles P-C4'-P energy: -96.524 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: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1784.810831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.810831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.810831 (E_RNA) where: Base-Base interactions energy: -1160.838 where: short stacking energy: -514.951 Base-Backbone interact. energy: -4.101 local terms energy: -619.871945 where: bonds (distance) C4'-P energy: -127.844 bonds (distance) P-C4' energy: -116.281 flat angles C4'-P-C4' energy: -132.449 flat angles P-C4'-P energy: -89.323 tors. eta vs tors. theta energy: -153.975 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: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1718.555527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.555527 (E_RNA) where: Base-Base interactions energy: -1108.721 where: short stacking energy: -542.642 Base-Backbone interact. energy: -4.510 local terms energy: -605.324349 where: bonds (distance) C4'-P energy: -113.071 bonds (distance) P-C4' energy: -121.984 flat angles C4'-P-C4' energy: -136.837 flat angles P-C4'-P energy: -80.658 tors. eta vs tors. theta energy: -152.774 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: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1619.899603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.899603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.899603 (E_RNA) where: Base-Base interactions energy: -1066.316 where: short stacking energy: -475.136 Base-Backbone interact. energy: -2.807 local terms energy: -550.776214 where: bonds (distance) C4'-P energy: -115.659 bonds (distance) P-C4' energy: -116.658 flat angles C4'-P-C4' energy: -138.324 flat angles P-C4'-P energy: -73.255 tors. eta vs tors. theta energy: -106.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1346.779486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.779486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.779486 (E_RNA) where: Base-Base interactions energy: -835.578 where: short stacking energy: -400.293 Base-Backbone interact. energy: -3.248 local terms energy: -507.952999 where: bonds (distance) C4'-P energy: -112.637 bonds (distance) P-C4' energy: -116.301 flat angles C4'-P-C4' energy: -122.385 flat angles P-C4'-P energy: -74.272 tors. eta vs tors. theta energy: -82.359 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: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1328.762821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.762821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.762821 (E_RNA) where: Base-Base interactions energy: -836.304 where: short stacking energy: -375.570 Base-Backbone interact. energy: 0.732 local terms energy: -493.190733 where: bonds (distance) C4'-P energy: -102.469 bonds (distance) P-C4' energy: -128.077 flat angles C4'-P-C4' energy: -99.938 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -84.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1069.612497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.612497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.612497 (E_RNA) where: Base-Base interactions energy: -633.039 where: short stacking energy: -336.960 Base-Backbone interact. energy: -3.073 local terms energy: -433.500895 where: bonds (distance) C4'-P energy: -99.325 bonds (distance) P-C4' energy: -110.836 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: -44.369 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: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -846.153455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.153455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.153455 (E_RNA) where: Base-Base interactions energy: -453.328 where: short stacking energy: -252.620 Base-Backbone interact. energy: 2.802 local terms energy: -395.627851 where: bonds (distance) C4'-P energy: -107.345 bonds (distance) P-C4' energy: -104.494 flat angles C4'-P-C4' energy: -111.543 flat angles P-C4'-P energy: -52.352 tors. eta vs tors. theta energy: -19.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -618.992780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.992780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.992780 (E_RNA) where: Base-Base interactions energy: -248.844 where: short stacking energy: -173.000 Base-Backbone interact. energy: -0.997 local terms energy: -369.151694 where: bonds (distance) C4'-P energy: -113.063 bonds (distance) P-C4' energy: -117.204 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -75.222 tors. eta vs tors. theta energy: 12.581 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: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -529.931066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.931066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.931066 (E_RNA) where: Base-Base interactions energy: -216.569 where: short stacking energy: -147.123 Base-Backbone interact. energy: 7.591 local terms energy: -320.953282 where: bonds (distance) C4'-P energy: -97.813 bonds (distance) P-C4' energy: -109.281 flat angles C4'-P-C4' energy: -99.952 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: 19.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1869.981865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.981865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.981865 (E_RNA) where: Base-Base interactions energy: -1225.206 where: short stacking energy: -562.199 Base-Backbone interact. energy: -2.848 local terms energy: -641.928183 where: bonds (distance) C4'-P energy: -125.140 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -138.340 flat angles P-C4'-P energy: -90.263 tors. eta vs tors. theta energy: -154.076 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: 40 Temperature: 0.950000 Total energy: -1769.395227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.395227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.395227 (E_RNA) where: Base-Base interactions energy: -1166.246 where: short stacking energy: -535.894 Base-Backbone interact. energy: -1.005 local terms energy: -602.144803 where: bonds (distance) C4'-P energy: -123.752 bonds (distance) P-C4' energy: -119.793 flat angles C4'-P-C4' energy: -137.731 flat angles P-C4'-P energy: -84.665 tors. eta vs tors. theta energy: -136.203 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: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1678.733340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.733340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.733340 (E_RNA) where: Base-Base interactions energy: -1081.348 where: short stacking energy: -531.760 Base-Backbone interact. energy: -3.039 local terms energy: -594.346293 where: bonds (distance) C4'-P energy: -112.647 bonds (distance) P-C4' energy: -121.836 flat angles C4'-P-C4' energy: -120.977 flat angles P-C4'-P energy: -89.173 tors. eta vs tors. theta energy: -149.713 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: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1701.542481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.542481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.542481 (E_RNA) where: Base-Base interactions energy: -1121.236 where: short stacking energy: -488.950 Base-Backbone interact. energy: 2.619 local terms energy: -582.926057 where: bonds (distance) C4'-P energy: -112.585 bonds (distance) P-C4' energy: -132.099 flat angles C4'-P-C4' energy: -128.817 flat angles P-C4'-P energy: -82.991 tors. eta vs tors. theta energy: -126.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1466.495183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.495183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.495183 (E_RNA) where: Base-Base interactions energy: -927.397 where: short stacking energy: -450.458 Base-Backbone interact. energy: -2.338 local terms energy: -536.760018 where: bonds (distance) C4'-P energy: -116.662 bonds (distance) P-C4' energy: -116.132 flat angles C4'-P-C4' energy: -120.559 flat angles P-C4'-P energy: -73.379 tors. eta vs tors. theta energy: -110.028 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: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1288.505471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.505471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.505471 (E_RNA) where: Base-Base interactions energy: -787.185 where: short stacking energy: -393.047 Base-Backbone interact. energy: 3.094 local terms energy: -504.414150 where: bonds (distance) C4'-P energy: -119.934 bonds (distance) P-C4' energy: -116.597 flat angles C4'-P-C4' energy: -129.319 flat angles P-C4'-P energy: -50.730 tors. eta vs tors. theta energy: -87.834 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: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1107.701285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.701285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.701285 (E_RNA) where: Base-Base interactions energy: -655.904 where: short stacking energy: -330.007 Base-Backbone interact. energy: -2.358 local terms energy: -449.438498 where: bonds (distance) C4'-P energy: -112.895 bonds (distance) P-C4' energy: -113.071 flat angles C4'-P-C4' energy: -112.591 flat angles P-C4'-P energy: -63.802 tors. eta vs tors. theta energy: -47.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -831.051705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.051705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.051705 (E_RNA) where: Base-Base interactions energy: -425.215 where: short stacking energy: -253.194 Base-Backbone interact. energy: -2.129 local terms energy: -403.707588 where: bonds (distance) C4'-P energy: -98.339 bonds (distance) P-C4' energy: -120.728 flat angles C4'-P-C4' energy: -103.944 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: -24.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -579.277996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.277996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.277996 (E_RNA) where: Base-Base interactions energy: -253.645 where: short stacking energy: -171.361 Base-Backbone interact. energy: 4.623 local terms energy: -330.256459 where: bonds (distance) C4'-P energy: -100.772 bonds (distance) P-C4' energy: -101.530 flat angles C4'-P-C4' energy: -91.204 flat angles P-C4'-P energy: -56.690 tors. eta vs tors. theta energy: 19.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -497.909324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.909324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.909324 (E_RNA) where: Base-Base interactions energy: -200.873 where: short stacking energy: -159.838 Base-Backbone interact. energy: -0.544 local terms energy: -296.493059 where: bonds (distance) C4'-P energy: -95.545 bonds (distance) P-C4' energy: -113.082 flat angles C4'-P-C4' energy: -60.330 flat angles P-C4'-P energy: -42.522 tors. eta vs tors. theta energy: 14.986 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: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1876.872758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.872758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.872758 (E_RNA) where: Base-Base interactions energy: -1214.782 where: short stacking energy: -552.381 Base-Backbone interact. energy: 0.470 local terms energy: -662.560327 where: bonds (distance) C4'-P energy: -134.523 bonds (distance) P-C4' energy: -141.252 flat angles C4'-P-C4' energy: -137.319 flat angles P-C4'-P energy: -94.886 tors. eta vs tors. theta energy: -154.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1714.102646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.102646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.102646 (E_RNA) where: Base-Base interactions energy: -1111.904 where: short stacking energy: -542.349 Base-Backbone interact. energy: -0.285 local terms energy: -601.914015 where: bonds (distance) C4'-P energy: -119.980 bonds (distance) P-C4' energy: -130.877 flat angles C4'-P-C4' energy: -130.066 flat angles P-C4'-P energy: -80.764 tors. eta vs tors. theta energy: -140.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1737.720218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.720218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.720218 (E_RNA) where: Base-Base interactions energy: -1154.354 where: short stacking energy: -501.553 Base-Backbone interact. energy: -2.913 local terms energy: -580.452861 where: bonds (distance) C4'-P energy: -114.424 bonds (distance) P-C4' energy: -113.128 flat angles C4'-P-C4' energy: -133.906 flat angles P-C4'-P energy: -84.035 tors. eta vs tors. theta energy: -134.960 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: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1693.572110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.572110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.572110 (E_RNA) where: Base-Base interactions energy: -1121.016 where: short stacking energy: -476.251 Base-Backbone interact. energy: 0.487 local terms energy: -573.043674 where: bonds (distance) C4'-P energy: -120.462 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -132.700 flat angles P-C4'-P energy: -80.822 tors. eta vs tors. theta energy: -121.984 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: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1517.375150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.375150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.375150 (E_RNA) where: Base-Base interactions energy: -978.769 where: short stacking energy: -468.350 Base-Backbone interact. energy: -4.098 local terms energy: -534.507444 where: bonds (distance) C4'-P energy: -105.738 bonds (distance) P-C4' energy: -120.690 flat angles C4'-P-C4' energy: -118.759 flat angles P-C4'-P energy: -76.509 tors. eta vs tors. theta energy: -112.811 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: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1228.756911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.756911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.756911 (E_RNA) where: Base-Base interactions energy: -774.842 where: short stacking energy: -362.325 Base-Backbone interact. energy: 2.846 local terms energy: -456.761571 where: bonds (distance) C4'-P energy: -105.856 bonds (distance) P-C4' energy: -107.036 flat angles C4'-P-C4' energy: -96.803 flat angles P-C4'-P energy: -76.590 tors. eta vs tors. theta energy: -70.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1085.660627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.660627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.660627 (E_RNA) where: Base-Base interactions energy: -648.545 where: short stacking energy: -307.174 Base-Backbone interact. energy: 4.894 local terms energy: -442.009396 where: bonds (distance) C4'-P energy: -107.960 bonds (distance) P-C4' energy: -125.251 flat angles C4'-P-C4' energy: -99.525 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -36.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -841.881566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.881566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.881566 (E_RNA) where: Base-Base interactions energy: -434.101 where: short stacking energy: -251.438 Base-Backbone interact. energy: -1.438 local terms energy: -406.342163 where: bonds (distance) C4'-P energy: -105.611 bonds (distance) P-C4' energy: -119.379 flat angles C4'-P-C4' energy: -89.510 flat angles P-C4'-P energy: -58.340 tors. eta vs tors. theta energy: -33.503 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: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -596.280349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.280349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.280349 (E_RNA) where: Base-Base interactions energy: -277.201 where: short stacking energy: -180.361 Base-Backbone interact. energy: -0.675 local terms energy: -318.403874 where: bonds (distance) C4'-P energy: -86.926 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -89.351 flat angles P-C4'-P energy: -43.274 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: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -493.977864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.977864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.977864 (E_RNA) where: Base-Base interactions energy: -178.499 where: short stacking energy: -152.341 Base-Backbone interact. energy: -1.182 local terms energy: -314.296625 where: bonds (distance) C4'-P energy: -73.889 bonds (distance) P-C4' energy: -93.020 flat angles C4'-P-C4' energy: -87.679 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: 0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1841.101780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.101780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.101780 (E_RNA) where: Base-Base interactions energy: -1208.258 where: short stacking energy: -569.343 Base-Backbone interact. energy: 2.081 local terms energy: -634.924990 where: bonds (distance) C4'-P energy: -131.918 bonds (distance) P-C4' energy: -124.502 flat angles C4'-P-C4' energy: -133.865 flat angles P-C4'-P energy: -93.477 tors. eta vs tors. theta energy: -151.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1689.440950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.440950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.440950 (E_RNA) where: Base-Base interactions energy: -1051.468 where: short stacking energy: -542.078 Base-Backbone interact. energy: -3.530 local terms energy: -634.442542 where: bonds (distance) C4'-P energy: -133.193 bonds (distance) P-C4' energy: -126.804 flat angles C4'-P-C4' energy: -143.527 flat angles P-C4'-P energy: -89.579 tors. eta vs tors. theta energy: -141.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1788.878143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.878143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.878143 (E_RNA) where: Base-Base interactions energy: -1165.739 where: short stacking energy: -539.878 Base-Backbone interact. energy: -4.691 local terms energy: -618.448645 where: bonds (distance) C4'-P energy: -116.133 bonds (distance) P-C4' energy: -134.530 flat angles C4'-P-C4' energy: -130.853 flat angles P-C4'-P energy: -92.476 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: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1684.327241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.327241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.327241 (E_RNA) where: Base-Base interactions energy: -1142.268 where: short stacking energy: -487.302 Base-Backbone interact. energy: -2.544 local terms energy: -539.515576 where: bonds (distance) C4'-P energy: -117.435 bonds (distance) P-C4' energy: -97.737 flat angles C4'-P-C4' energy: -117.876 flat angles P-C4'-P energy: -82.531 tors. eta vs tors. theta energy: -123.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1527.936152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.936152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.936152 (E_RNA) where: Base-Base interactions energy: -989.068 where: short stacking energy: -439.191 Base-Backbone interact. energy: -0.274 local terms energy: -538.594932 where: bonds (distance) C4'-P energy: -113.944 bonds (distance) P-C4' energy: -121.587 flat angles C4'-P-C4' energy: -119.093 flat angles P-C4'-P energy: -69.099 tors. eta vs tors. theta energy: -114.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1238.073914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.073914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.073914 (E_RNA) where: Base-Base interactions energy: -764.113 where: short stacking energy: -383.350 Base-Backbone interact. energy: -0.198 local terms energy: -473.763158 where: bonds (distance) C4'-P energy: -99.265 bonds (distance) P-C4' energy: -106.351 flat angles C4'-P-C4' energy: -119.448 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: -84.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1133.754994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.754994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.754994 (E_RNA) where: Base-Base interactions energy: -683.252 where: short stacking energy: -328.970 Base-Backbone interact. energy: -1.753 local terms energy: -448.750078 where: bonds (distance) C4'-P energy: -116.518 bonds (distance) P-C4' energy: -108.095 flat angles C4'-P-C4' energy: -117.163 flat angles P-C4'-P energy: -47.137 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: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -804.120006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.120006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.120006 (E_RNA) where: Base-Base interactions energy: -426.896 where: short stacking energy: -252.500 Base-Backbone interact. energy: 0.346 local terms energy: -377.570244 where: bonds (distance) C4'-P energy: -87.182 bonds (distance) P-C4' energy: -109.868 flat angles C4'-P-C4' energy: -117.581 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: -14.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -618.249847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.249847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.249847 (E_RNA) where: Base-Base interactions energy: -257.984 where: short stacking energy: -167.014 Base-Backbone interact. energy: 0.948 local terms energy: -361.213377 where: bonds (distance) C4'-P energy: -100.206 bonds (distance) P-C4' energy: -112.738 flat angles C4'-P-C4' energy: -110.155 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: 4.885 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: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -547.010801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.010801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.010801 (E_RNA) where: Base-Base interactions energy: -217.912 where: short stacking energy: -158.444 Base-Backbone interact. energy: 5.868 local terms energy: -334.966730 where: bonds (distance) C4'-P energy: -97.949 bonds (distance) P-C4' energy: -96.553 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: 7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1861.816928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.816928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.816928 (E_RNA) where: Base-Base interactions energy: -1203.018 where: short stacking energy: -566.373 Base-Backbone interact. energy: -1.927 local terms energy: -656.872361 where: bonds (distance) C4'-P energy: -129.529 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -142.604 flat angles P-C4'-P energy: -110.636 tors. eta vs tors. theta energy: -145.238 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: 43 Temperature: 0.950000 Total energy: -1849.377038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.377038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.377038 (E_RNA) where: Base-Base interactions energy: -1247.514 where: short stacking energy: -547.695 Base-Backbone interact. energy: -1.242 local terms energy: -600.621374 where: bonds (distance) C4'-P energy: -109.411 bonds (distance) P-C4' energy: -122.172 flat angles C4'-P-C4' energy: -133.654 flat angles P-C4'-P energy: -91.065 tors. eta vs tors. theta energy: -144.319 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: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1678.251490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.251490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.251490 (E_RNA) where: Base-Base interactions energy: -1089.614 where: short stacking energy: -519.443 Base-Backbone interact. energy: -4.017 local terms energy: -584.620679 where: bonds (distance) C4'-P energy: -111.564 bonds (distance) P-C4' energy: -123.019 flat angles C4'-P-C4' energy: -125.351 flat angles P-C4'-P energy: -88.255 tors. eta vs tors. theta energy: -136.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1615.362379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.362379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.362379 (E_RNA) where: Base-Base interactions energy: -1065.938 where: short stacking energy: -484.168 Base-Backbone interact. energy: -4.345 local terms energy: -545.078825 where: bonds (distance) C4'-P energy: -102.215 bonds (distance) P-C4' energy: -117.753 flat angles C4'-P-C4' energy: -122.182 flat angles P-C4'-P energy: -72.156 tors. eta vs tors. theta energy: -130.773 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: 43 Temperature: 1.100000 Total energy: -1513.637224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.637224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.637224 (E_RNA) where: Base-Base interactions energy: -955.711 where: short stacking energy: -447.994 Base-Backbone interact. energy: -0.953 local terms energy: -556.973960 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -109.197 flat angles C4'-P-C4' energy: -129.012 flat angles P-C4'-P energy: -84.697 tors. eta vs tors. theta energy: -122.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1224.645085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.645085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.645085 (E_RNA) where: Base-Base interactions energy: -757.384 where: short stacking energy: -364.594 Base-Backbone interact. energy: -2.000 local terms energy: -465.260915 where: bonds (distance) C4'-P energy: -91.331 bonds (distance) P-C4' energy: -126.775 flat angles C4'-P-C4' energy: -112.283 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -69.996 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: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1136.019075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.019075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.019075 (E_RNA) where: Base-Base interactions energy: -684.113 where: short stacking energy: -330.277 Base-Backbone interact. energy: -0.789 local terms energy: -451.116971 where: bonds (distance) C4'-P energy: -92.392 bonds (distance) P-C4' energy: -113.166 flat angles C4'-P-C4' energy: -123.554 flat angles P-C4'-P energy: -58.243 tors. eta vs tors. theta energy: -63.763 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: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -783.603460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.603460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.603460 (E_RNA) where: Base-Base interactions energy: -409.217 where: short stacking energy: -233.172 Base-Backbone interact. energy: -1.401 local terms energy: -372.986190 where: bonds (distance) C4'-P energy: -108.111 bonds (distance) P-C4' energy: -99.414 flat angles C4'-P-C4' energy: -98.808 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -20.939 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: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -595.694178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.694178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.694178 (E_RNA) where: Base-Base interactions energy: -243.563 where: short stacking energy: -169.330 Base-Backbone interact. energy: -2.271 local terms energy: -349.860156 where: bonds (distance) C4'-P energy: -114.945 bonds (distance) P-C4' energy: -92.350 flat angles C4'-P-C4' energy: -104.220 flat angles P-C4'-P energy: -43.932 tors. eta vs tors. theta energy: 5.586 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: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -556.993502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.993502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.993502 (E_RNA) where: Base-Base interactions energy: -232.221 where: short stacking energy: -173.952 Base-Backbone interact. energy: -3.684 local terms energy: -321.087647 where: bonds (distance) C4'-P energy: -91.840 bonds (distance) P-C4' energy: -108.484 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: 3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1957.558426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.558426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.558426 (E_RNA) where: Base-Base interactions energy: -1338.772 where: short stacking energy: -613.333 Base-Backbone interact. energy: -1.027 local terms energy: -617.759276 where: bonds (distance) C4'-P energy: -111.721 bonds (distance) P-C4' energy: -129.451 flat angles C4'-P-C4' energy: -136.723 flat angles P-C4'-P energy: -90.332 tors. eta vs tors. theta energy: -149.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1812.720631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.720631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.720631 (E_RNA) where: Base-Base interactions energy: -1203.833 where: short stacking energy: -542.952 Base-Backbone interact. energy: -0.380 local terms energy: -608.507464 where: bonds (distance) C4'-P energy: -121.662 bonds (distance) P-C4' energy: -136.208 flat angles C4'-P-C4' energy: -133.916 flat angles P-C4'-P energy: -62.629 tors. eta vs tors. theta energy: -154.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1670.578211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.578211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.578211 (E_RNA) where: Base-Base interactions energy: -1088.918 where: short stacking energy: -529.182 Base-Backbone interact. energy: -1.822 local terms energy: -579.837431 where: bonds (distance) C4'-P energy: -107.911 bonds (distance) P-C4' energy: -121.100 flat angles C4'-P-C4' energy: -122.435 flat angles P-C4'-P energy: -84.498 tors. eta vs tors. theta energy: -143.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1624.282769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.282769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.282769 (E_RNA) where: Base-Base interactions energy: -1018.483 where: short stacking energy: -460.168 Base-Backbone interact. energy: -1.047 local terms energy: -604.752614 where: bonds (distance) C4'-P energy: -126.240 bonds (distance) P-C4' energy: -133.763 flat angles C4'-P-C4' energy: -119.110 flat angles P-C4'-P energy: -90.648 tors. eta vs tors. theta energy: -134.991 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: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1517.510019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.510019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.510019 (E_RNA) where: Base-Base interactions energy: -987.806 where: short stacking energy: -435.695 Base-Backbone interact. energy: 0.864 local terms energy: -530.568172 where: bonds (distance) C4'-P energy: -95.889 bonds (distance) P-C4' energy: -125.963 flat angles C4'-P-C4' energy: -134.577 flat angles P-C4'-P energy: -74.300 tors. eta vs tors. theta energy: -99.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1279.477420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.477420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.477420 (E_RNA) where: Base-Base interactions energy: -802.207 where: short stacking energy: -376.285 Base-Backbone interact. energy: -3.819 local terms energy: -473.451627 where: bonds (distance) C4'-P energy: -111.018 bonds (distance) P-C4' energy: -98.491 flat angles C4'-P-C4' energy: -108.704 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -81.943 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1135.471317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.471317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.471317 (E_RNA) where: Base-Base interactions energy: -687.584 where: short stacking energy: -326.226 Base-Backbone interact. energy: 1.271 local terms energy: -449.157792 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -115.140 flat angles C4'-P-C4' energy: -95.839 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: -73.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -779.297549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.297549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.297549 (E_RNA) where: Base-Base interactions energy: -380.548 where: short stacking energy: -226.884 Base-Backbone interact. energy: 0.609 local terms energy: -399.357874 where: bonds (distance) C4'-P energy: -110.187 bonds (distance) P-C4' energy: -90.292 flat angles C4'-P-C4' energy: -113.631 flat angles P-C4'-P energy: -55.326 tors. eta vs tors. theta energy: -29.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -609.100962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.100962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.100962 (E_RNA) where: Base-Base interactions energy: -276.152 where: short stacking energy: -212.470 Base-Backbone interact. energy: 3.954 local terms energy: -336.903122 where: bonds (distance) C4'-P energy: -95.395 bonds (distance) P-C4' energy: -107.646 flat angles C4'-P-C4' energy: -96.092 flat angles P-C4'-P energy: -62.411 tors. eta vs tors. theta energy: 24.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -593.475582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.475582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.475582 (E_RNA) where: Base-Base interactions energy: -255.268 where: short stacking energy: -182.754 Base-Backbone interact. energy: -1.145 local terms energy: -337.062432 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -96.531 flat angles C4'-P-C4' energy: -79.304 flat angles P-C4'-P energy: -65.785 tors. eta vs tors. theta energy: 15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1982.164023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.164023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.164023 (E_RNA) where: Base-Base interactions energy: -1331.695 where: short stacking energy: -586.266 Base-Backbone interact. energy: -5.899 local terms energy: -644.569436 where: bonds (distance) C4'-P energy: -121.525 bonds (distance) P-C4' energy: -137.421 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -81.566 tors. eta vs tors. theta energy: -163.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1815.103285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.103285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.103285 (E_RNA) where: Base-Base interactions energy: -1192.526 where: short stacking energy: -537.460 Base-Backbone interact. energy: -3.325 local terms energy: -619.251575 where: bonds (distance) C4'-P energy: -125.199 bonds (distance) P-C4' energy: -134.234 flat angles C4'-P-C4' energy: -136.901 flat angles P-C4'-P energy: -72.999 tors. eta vs tors. theta energy: -149.918 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: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1703.418877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.418877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.418877 (E_RNA) where: Base-Base interactions energy: -1077.034 where: short stacking energy: -525.420 Base-Backbone interact. energy: -1.214 local terms energy: -625.170842 where: bonds (distance) C4'-P energy: -118.870 bonds (distance) P-C4' energy: -132.678 flat angles C4'-P-C4' energy: -137.249 flat angles P-C4'-P energy: -85.348 tors. eta vs tors. theta energy: -151.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1647.931618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.931618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.931618 (E_RNA) where: Base-Base interactions energy: -1083.352 where: short stacking energy: -504.163 Base-Backbone interact. energy: -2.534 local terms energy: -562.045043 where: bonds (distance) C4'-P energy: -124.174 bonds (distance) P-C4' energy: -111.960 flat angles C4'-P-C4' energy: -126.341 flat angles P-C4'-P energy: -66.122 tors. eta vs tors. theta energy: -133.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1551.771046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.771046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.771046 (E_RNA) where: Base-Base interactions energy: -1005.349 where: short stacking energy: -437.468 Base-Backbone interact. energy: 3.605 local terms energy: -550.026296 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -119.451 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -83.152 tors. eta vs tors. theta energy: -115.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1295.382364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.382364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.382364 (E_RNA) where: Base-Base interactions energy: -837.770 where: short stacking energy: -380.268 Base-Backbone interact. energy: 4.477 local terms energy: -462.089606 where: bonds (distance) C4'-P energy: -108.344 bonds (distance) P-C4' energy: -97.653 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -75.527 tors. eta vs tors. theta energy: -75.832 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: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1038.939528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.939528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.939528 (E_RNA) where: Base-Base interactions energy: -606.605 where: short stacking energy: -309.664 Base-Backbone interact. energy: -2.322 local terms energy: -430.013078 where: bonds (distance) C4'-P energy: -101.061 bonds (distance) P-C4' energy: -114.487 flat angles C4'-P-C4' energy: -113.608 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -44.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -809.114556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.114556 (E_RNA) where: Base-Base interactions energy: -399.563 where: short stacking energy: -235.308 Base-Backbone interact. energy: 1.472 local terms energy: -411.023681 where: bonds (distance) C4'-P energy: -102.366 bonds (distance) P-C4' energy: -123.223 flat angles C4'-P-C4' energy: -102.752 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -18.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -651.164590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.164590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.164590 (E_RNA) where: Base-Base interactions energy: -277.852 where: short stacking energy: -188.456 Base-Backbone interact. energy: -3.989 local terms energy: -369.323637 where: bonds (distance) C4'-P energy: -103.185 bonds (distance) P-C4' energy: -114.281 flat angles C4'-P-C4' energy: -102.378 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: 13.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -624.176141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.176141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.176141 (E_RNA) where: Base-Base interactions energy: -301.460 where: short stacking energy: -179.658 Base-Backbone interact. energy: -3.583 local terms energy: -319.133313 where: bonds (distance) C4'-P energy: -102.505 bonds (distance) P-C4' energy: -99.141 flat angles C4'-P-C4' energy: -80.845 flat angles P-C4'-P energy: -47.427 tors. eta vs tors. theta energy: 10.785 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: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1986.736494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.736494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.736494 (E_RNA) where: Base-Base interactions energy: -1334.324 where: short stacking energy: -575.801 Base-Backbone interact. energy: -0.039 local terms energy: -652.373753 where: bonds (distance) C4'-P energy: -144.816 bonds (distance) P-C4' energy: -123.730 flat angles C4'-P-C4' energy: -143.109 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -158.748 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: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1795.466566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.466566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.466566 (E_RNA) where: Base-Base interactions energy: -1207.708 where: short stacking energy: -499.728 Base-Backbone interact. energy: -0.374 local terms energy: -587.384766 where: bonds (distance) C4'-P energy: -118.474 bonds (distance) P-C4' energy: -141.438 flat angles C4'-P-C4' energy: -125.105 flat angles P-C4'-P energy: -64.243 tors. eta vs tors. theta energy: -138.124 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: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1728.382649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.382649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.382649 (E_RNA) where: Base-Base interactions energy: -1114.966 where: short stacking energy: -500.242 Base-Backbone interact. energy: -0.050 local terms energy: -613.366141 where: bonds (distance) C4'-P energy: -112.770 bonds (distance) P-C4' energy: -132.322 flat angles C4'-P-C4' energy: -128.764 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -146.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1656.329584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.329584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.329584 (E_RNA) where: Base-Base interactions energy: -1072.395 where: short stacking energy: -487.890 Base-Backbone interact. energy: -2.785 local terms energy: -581.149101 where: bonds (distance) C4'-P energy: -120.950 bonds (distance) P-C4' energy: -120.157 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -130.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1559.408618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.408618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.408618 (E_RNA) where: Base-Base interactions energy: -1027.316 where: short stacking energy: -453.762 Base-Backbone interact. energy: -2.011 local terms energy: -530.081242 where: bonds (distance) C4'-P energy: -123.273 bonds (distance) P-C4' energy: -117.741 flat angles C4'-P-C4' energy: -112.990 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -112.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1345.506801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.506801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.506801 (E_RNA) where: Base-Base interactions energy: -857.438 where: short stacking energy: -389.136 Base-Backbone interact. energy: -0.582 local terms energy: -487.487007 where: bonds (distance) C4'-P energy: -100.573 bonds (distance) P-C4' energy: -110.298 flat angles C4'-P-C4' energy: -111.524 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -85.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -997.853665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.853665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.853665 (E_RNA) where: Base-Base interactions energy: -562.053 where: short stacking energy: -293.994 Base-Backbone interact. energy: -3.430 local terms energy: -432.370927 where: bonds (distance) C4'-P energy: -113.377 bonds (distance) P-C4' energy: -97.552 flat angles C4'-P-C4' energy: -108.125 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -42.709 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: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -792.240771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.240771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.240771 (E_RNA) where: Base-Base interactions energy: -409.104 where: short stacking energy: -238.524 Base-Backbone interact. energy: 0.362 local terms energy: -383.499024 where: bonds (distance) C4'-P energy: -104.087 bonds (distance) P-C4' energy: -123.405 flat angles C4'-P-C4' energy: -95.734 flat angles P-C4'-P energy: -52.341 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -677.846768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.846768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.846768 (E_RNA) where: Base-Base interactions energy: -292.025 where: short stacking energy: -175.141 Base-Backbone interact. energy: 1.428 local terms energy: -387.249806 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -125.791 flat angles C4'-P-C4' energy: -93.919 flat angles P-C4'-P energy: -54.697 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -603.403790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.403790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.403790 (E_RNA) where: Base-Base interactions energy: -277.253 where: short stacking energy: -193.883 Base-Backbone interact. energy: -2.530 local terms energy: -323.620965 where: bonds (distance) C4'-P energy: -91.438 bonds (distance) P-C4' energy: -98.000 flat angles C4'-P-C4' energy: -83.686 flat angles P-C4'-P energy: -61.510 tors. eta vs tors. theta energy: 11.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2015.538532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.538532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.538532 (E_RNA) where: Base-Base interactions energy: -1364.728 where: short stacking energy: -609.110 Base-Backbone interact. energy: -2.688 local terms energy: -648.122594 where: bonds (distance) C4'-P energy: -139.862 bonds (distance) P-C4' energy: -111.866 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -156.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1790.544465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.544465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.544465 (E_RNA) where: Base-Base interactions energy: -1171.372 where: short stacking energy: -525.620 Base-Backbone interact. energy: -3.884 local terms energy: -615.289338 where: bonds (distance) C4'-P energy: -134.011 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -136.934 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: -138.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1733.551626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.551626 (E_RNA) where: Base-Base interactions energy: -1120.764 where: short stacking energy: -555.599 Base-Backbone interact. energy: -2.529 local terms energy: -610.258074 where: bonds (distance) C4'-P energy: -122.003 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -131.681 flat angles P-C4'-P energy: -71.173 tors. eta vs tors. theta energy: -169.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1612.426846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.426846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.426846 (E_RNA) where: Base-Base interactions energy: -1079.143 where: short stacking energy: -462.994 Base-Backbone interact. energy: -2.777 local terms energy: -530.506416 where: bonds (distance) C4'-P energy: -107.223 bonds (distance) P-C4' energy: -120.035 flat angles C4'-P-C4' energy: -122.995 flat angles P-C4'-P energy: -71.005 tors. eta vs tors. theta energy: -109.249 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: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1605.417835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.417835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.417835 (E_RNA) where: Base-Base interactions energy: -1022.830 where: short stacking energy: -468.610 Base-Backbone interact. energy: -2.821 local terms energy: -579.767013 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -127.341 flat angles C4'-P-C4' energy: -125.182 flat angles P-C4'-P energy: -80.678 tors. eta vs tors. theta energy: -120.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1376.375710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.375710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.375710 (E_RNA) where: Base-Base interactions energy: -880.204 where: short stacking energy: -400.554 Base-Backbone interact. energy: -0.836 local terms energy: -495.336116 where: bonds (distance) C4'-P energy: -107.323 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -71.991 tors. eta vs tors. theta energy: -91.856 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: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -950.907098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.907098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.907098 (E_RNA) where: Base-Base interactions energy: -517.970 where: short stacking energy: -294.706 Base-Backbone interact. energy: -0.989 local terms energy: -431.947580 where: bonds (distance) C4'-P energy: -107.607 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -109.912 flat angles P-C4'-P energy: -71.953 tors. eta vs tors. theta energy: -37.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -879.134925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.134925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.134925 (E_RNA) where: Base-Base interactions energy: -470.160 where: short stacking energy: -243.537 Base-Backbone interact. energy: 6.702 local terms energy: -415.676474 where: bonds (distance) C4'-P energy: -97.006 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -111.754 flat angles P-C4'-P energy: -60.857 tors. eta vs tors. theta energy: -24.454 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: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -671.391698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.391698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.391698 (E_RNA) where: Base-Base interactions energy: -284.987 where: short stacking energy: -174.265 Base-Backbone interact. energy: -1.689 local terms energy: -384.715228 where: bonds (distance) C4'-P energy: -125.959 bonds (distance) P-C4' energy: -101.393 flat angles C4'-P-C4' energy: -107.222 flat angles P-C4'-P energy: -58.076 tors. eta vs tors. theta energy: 7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -675.198416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.198416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.198416 (E_RNA) where: Base-Base interactions energy: -358.273 where: short stacking energy: -212.616 Base-Backbone interact. energy: 6.507 local terms energy: -323.432782 where: bonds (distance) C4'-P energy: -102.918 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -80.720 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -10.038 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: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2003.422093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.422093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.422093 (E_RNA) where: Base-Base interactions energy: -1352.089 where: short stacking energy: -583.048 Base-Backbone interact. energy: -2.748 local terms energy: -648.584967 where: bonds (distance) C4'-P energy: -132.046 bonds (distance) P-C4' energy: -123.786 flat angles C4'-P-C4' energy: -136.906 flat angles P-C4'-P energy: -102.191 tors. eta vs tors. theta energy: -153.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1760.873805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.873805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.873805 (E_RNA) where: Base-Base interactions energy: -1153.802 where: short stacking energy: -495.339 Base-Backbone interact. energy: -4.587 local terms energy: -602.484276 where: bonds (distance) C4'-P energy: -128.271 bonds (distance) P-C4' energy: -133.736 flat angles C4'-P-C4' energy: -130.905 flat angles P-C4'-P energy: -80.798 tors. eta vs tors. theta energy: -128.773 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: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1665.848053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.848053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.848053 (E_RNA) where: Base-Base interactions energy: -1068.168 where: short stacking energy: -493.601 Base-Backbone interact. energy: -2.181 local terms energy: -595.498938 where: bonds (distance) C4'-P energy: -114.542 bonds (distance) P-C4' energy: -107.806 flat angles C4'-P-C4' energy: -132.288 flat angles P-C4'-P energy: -95.411 tors. eta vs tors. theta energy: -145.452 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: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1636.981355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.981355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.981355 (E_RNA) where: Base-Base interactions energy: -1073.333 where: short stacking energy: -477.277 Base-Backbone interact. energy: -5.740 local terms energy: -557.908594 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -122.620 flat angles C4'-P-C4' energy: -133.087 flat angles P-C4'-P energy: -88.288 tors. eta vs tors. theta energy: -117.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1535.488675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.488675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.488675 (E_RNA) where: Base-Base interactions energy: -1031.893 where: short stacking energy: -459.100 Base-Backbone interact. energy: 0.680 local terms energy: -504.276280 where: bonds (distance) C4'-P energy: -110.415 bonds (distance) P-C4' energy: -101.193 flat angles C4'-P-C4' energy: -117.996 flat angles P-C4'-P energy: -63.863 tors. eta vs tors. theta energy: -110.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1404.186438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.186438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.186438 (E_RNA) where: Base-Base interactions energy: -911.980 where: short stacking energy: -413.610 Base-Backbone interact. energy: -1.764 local terms energy: -490.442504 where: bonds (distance) C4'-P energy: -99.479 bonds (distance) P-C4' energy: -111.327 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -70.777 tors. eta vs tors. theta energy: -96.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -995.947212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.947212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.947212 (E_RNA) where: Base-Base interactions energy: -548.540 where: short stacking energy: -298.880 Base-Backbone interact. energy: -0.757 local terms energy: -446.649651 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -126.055 flat angles C4'-P-C4' energy: -106.457 flat angles P-C4'-P energy: -61.408 tors. eta vs tors. theta energy: -37.333 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: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -870.013250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.013250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.013250 (E_RNA) where: Base-Base interactions energy: -475.247 where: short stacking energy: -261.421 Base-Backbone interact. energy: 1.269 local terms energy: -396.035703 where: bonds (distance) C4'-P energy: -121.737 bonds (distance) P-C4' energy: -103.766 flat angles C4'-P-C4' energy: -88.579 flat angles P-C4'-P energy: -53.692 tors. eta vs tors. theta energy: -28.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -702.519949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.519949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.519949 (E_RNA) where: Base-Base interactions energy: -340.217 where: short stacking energy: -166.263 Base-Backbone interact. energy: -2.421 local terms energy: -359.882768 where: bonds (distance) C4'-P energy: -109.030 bonds (distance) P-C4' energy: -103.603 flat angles C4'-P-C4' energy: -107.311 flat angles P-C4'-P energy: -61.414 tors. eta vs tors. theta energy: 21.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -637.890324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.890324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.890324 (E_RNA) where: Base-Base interactions energy: -295.289 where: short stacking energy: -174.239 Base-Backbone interact. energy: 1.939 local terms energy: -344.540312 where: bonds (distance) C4'-P energy: -93.829 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -101.109 flat angles P-C4'-P energy: -53.651 tors. eta vs tors. theta energy: 9.375 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: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1970.149196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.149196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.149196 (E_RNA) where: Base-Base interactions energy: -1328.693 where: short stacking energy: -580.662 Base-Backbone interact. energy: -4.240 local terms energy: -637.216086 where: bonds (distance) C4'-P energy: -119.969 bonds (distance) P-C4' energy: -123.630 flat angles C4'-P-C4' energy: -146.268 flat angles P-C4'-P energy: -96.616 tors. eta vs tors. theta energy: -150.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1753.603533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.603533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.603533 (E_RNA) where: Base-Base interactions energy: -1190.069 where: short stacking energy: -521.642 Base-Backbone interact. energy: -0.434 local terms energy: -563.100593 where: bonds (distance) C4'-P energy: -110.454 bonds (distance) P-C4' energy: -129.588 flat angles C4'-P-C4' energy: -125.330 flat angles P-C4'-P energy: -75.873 tors. eta vs tors. theta energy: -121.856 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: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1702.377676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.377676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.377676 (E_RNA) where: Base-Base interactions energy: -1127.267 where: short stacking energy: -521.303 Base-Backbone interact. energy: -2.764 local terms energy: -572.346855 where: bonds (distance) C4'-P energy: -120.407 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -128.433 flat angles P-C4'-P energy: -77.828 tors. eta vs tors. theta energy: -128.956 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: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1620.965267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.965267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.965267 (E_RNA) where: Base-Base interactions energy: -1072.083 where: short stacking energy: -474.323 Base-Backbone interact. energy: -4.243 local terms energy: -544.639547 where: bonds (distance) C4'-P energy: -98.708 bonds (distance) P-C4' energy: -126.415 flat angles C4'-P-C4' energy: -122.072 flat angles P-C4'-P energy: -77.672 tors. eta vs tors. theta energy: -119.773 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: 49 Temperature: 1.100000 Total energy: -1550.498674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.498674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.498674 (E_RNA) where: Base-Base interactions energy: -1008.745 where: short stacking energy: -472.786 Base-Backbone interact. energy: 2.665 local terms energy: -544.418339 where: bonds (distance) C4'-P energy: -101.442 bonds (distance) P-C4' energy: -116.478 flat angles C4'-P-C4' energy: -116.094 flat angles P-C4'-P energy: -78.532 tors. eta vs tors. theta energy: -131.873 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: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1344.473862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.473862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.473862 (E_RNA) where: Base-Base interactions energy: -859.212 where: short stacking energy: -402.351 Base-Backbone interact. energy: 4.904 local terms energy: -490.165892 where: bonds (distance) C4'-P energy: -108.169 bonds (distance) P-C4' energy: -120.438 flat angles C4'-P-C4' energy: -108.990 flat angles P-C4'-P energy: -72.914 tors. eta vs tors. theta energy: -79.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1066.278240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.278240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.278240 (E_RNA) where: Base-Base interactions energy: -594.769 where: short stacking energy: -334.547 Base-Backbone interact. energy: -0.623 local terms energy: -470.885934 where: bonds (distance) C4'-P energy: -100.122 bonds (distance) P-C4' energy: -125.686 flat angles C4'-P-C4' energy: -109.093 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -76.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -875.192737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.192737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.192737 (E_RNA) where: Base-Base interactions energy: -479.524 where: short stacking energy: -261.240 Base-Backbone interact. energy: -2.025 local terms energy: -393.643825 where: bonds (distance) C4'-P energy: -109.874 bonds (distance) P-C4' energy: -87.369 flat angles C4'-P-C4' energy: -88.350 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -33.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -661.297981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.297981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.297981 (E_RNA) where: Base-Base interactions energy: -306.747 where: short stacking energy: -197.323 Base-Backbone interact. energy: 3.717 local terms energy: -358.267993 where: bonds (distance) C4'-P energy: -95.211 bonds (distance) P-C4' energy: -114.480 flat angles C4'-P-C4' energy: -95.950 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: 4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -592.989161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.989161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.989161 (E_RNA) where: Base-Base interactions energy: -268.629 where: short stacking energy: -172.162 Base-Backbone interact. energy: -4.204 local terms energy: -320.156307 where: bonds (distance) C4'-P energy: -107.753 bonds (distance) P-C4' energy: -114.999 flat angles C4'-P-C4' energy: -83.594 flat angles P-C4'-P energy: -33.279 tors. eta vs tors. theta energy: 19.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1984.019518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.019518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.019518 (E_RNA) where: Base-Base interactions energy: -1339.479 where: short stacking energy: -580.713 Base-Backbone interact. energy: 0.874 local terms energy: -645.414233 where: bonds (distance) C4'-P energy: -125.603 bonds (distance) P-C4' energy: -124.599 flat angles C4'-P-C4' energy: -143.649 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -158.135 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: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1758.063271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.063271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.063271 (E_RNA) where: Base-Base interactions energy: -1151.135 where: short stacking energy: -556.693 Base-Backbone interact. energy: -0.838 local terms energy: -606.090547 where: bonds (distance) C4'-P energy: -113.483 bonds (distance) P-C4' energy: -119.845 flat angles C4'-P-C4' energy: -147.338 flat angles P-C4'-P energy: -72.769 tors. eta vs tors. theta energy: -152.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1752.709426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.709426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.709426 (E_RNA) where: Base-Base interactions energy: -1139.503 where: short stacking energy: -536.433 Base-Backbone interact. energy: -3.293 local terms energy: -609.913484 where: bonds (distance) C4'-P energy: -121.089 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -121.288 flat angles P-C4'-P energy: -94.221 tors. eta vs tors. theta energy: -160.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1601.021022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.021022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.021022 (E_RNA) where: Base-Base interactions energy: -1067.946 where: short stacking energy: -485.546 Base-Backbone interact. energy: -0.775 local terms energy: -532.300686 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -101.272 flat angles C4'-P-C4' energy: -125.765 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -122.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1556.446840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.446840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.446840 (E_RNA) where: Base-Base interactions energy: -1015.464 where: short stacking energy: -475.216 Base-Backbone interact. energy: -3.145 local terms energy: -537.837749 where: bonds (distance) C4'-P energy: -99.555 bonds (distance) P-C4' energy: -121.838 flat angles C4'-P-C4' energy: -123.954 flat angles P-C4'-P energy: -73.305 tors. eta vs tors. theta energy: -119.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1380.140786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.140786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.140786 (E_RNA) where: Base-Base interactions energy: -863.478 where: short stacking energy: -414.275 Base-Backbone interact. energy: -3.489 local terms energy: -513.174080 where: bonds (distance) C4'-P energy: -103.933 bonds (distance) P-C4' energy: -107.514 flat angles C4'-P-C4' energy: -126.757 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -98.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1010.293826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.293826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.293826 (E_RNA) where: Base-Base interactions energy: -587.623 where: short stacking energy: -329.710 Base-Backbone interact. energy: 1.062 local terms energy: -423.732943 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -107.196 flat angles C4'-P-C4' energy: -108.932 flat angles P-C4'-P energy: -65.066 tors. eta vs tors. theta energy: -59.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -885.771130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.771130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.771130 (E_RNA) where: Base-Base interactions energy: -469.231 where: short stacking energy: -258.334 Base-Backbone interact. energy: 4.508 local terms energy: -421.048026 where: bonds (distance) C4'-P energy: -113.644 bonds (distance) P-C4' energy: -120.787 flat angles C4'-P-C4' energy: -101.240 flat angles P-C4'-P energy: -59.285 tors. eta vs tors. theta energy: -26.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -699.933538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.933538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.933538 (E_RNA) where: Base-Base interactions energy: -324.561 where: short stacking energy: -171.390 Base-Backbone interact. energy: 1.810 local terms energy: -377.181709 where: bonds (distance) C4'-P energy: -82.612 bonds (distance) P-C4' energy: -109.046 flat angles C4'-P-C4' energy: -113.878 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -11.285 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: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -555.651525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.651525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.651525 (E_RNA) where: Base-Base interactions energy: -220.214 where: short stacking energy: -131.463 Base-Backbone interact. energy: 5.779 local terms energy: -341.216551 where: bonds (distance) C4'-P energy: -103.664 bonds (distance) P-C4' energy: -109.518 flat angles C4'-P-C4' energy: -83.071 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: 23.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1969.091046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.091046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.091046 (E_RNA) where: Base-Base interactions energy: -1329.359 where: short stacking energy: -589.959 Base-Backbone interact. energy: -1.530 local terms energy: -638.202549 where: bonds (distance) C4'-P energy: -119.854 bonds (distance) P-C4' energy: -123.048 flat angles C4'-P-C4' energy: -130.667 flat angles P-C4'-P energy: -97.901 tors. eta vs tors. theta energy: -166.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1835.327483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.327483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.327483 (E_RNA) where: Base-Base interactions energy: -1219.781 where: short stacking energy: -566.398 Base-Backbone interact. energy: 2.175 local terms energy: -617.721254 where: bonds (distance) C4'-P energy: -126.721 bonds (distance) P-C4' energy: -123.916 flat angles C4'-P-C4' energy: -122.466 flat angles P-C4'-P energy: -88.319 tors. eta vs tors. theta energy: -156.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1742.752041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.752041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.752041 (E_RNA) where: Base-Base interactions energy: -1160.382 where: short stacking energy: -516.702 Base-Backbone interact. energy: -4.772 local terms energy: -577.598230 where: bonds (distance) C4'-P energy: -117.523 bonds (distance) P-C4' energy: -109.669 flat angles C4'-P-C4' energy: -148.646 flat angles P-C4'-P energy: -65.583 tors. eta vs tors. theta energy: -136.177 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: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1648.210679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.210679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.210679 (E_RNA) where: Base-Base interactions energy: -1089.263 where: short stacking energy: -524.017 Base-Backbone interact. energy: -2.889 local terms energy: -556.058349 where: bonds (distance) C4'-P energy: -105.744 bonds (distance) P-C4' energy: -126.865 flat angles C4'-P-C4' energy: -122.125 flat angles P-C4'-P energy: -67.430 tors. eta vs tors. theta energy: -133.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1524.033527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.033527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.033527 (E_RNA) where: Base-Base interactions energy: -968.607 where: short stacking energy: -450.384 Base-Backbone interact. energy: -0.525 local terms energy: -554.901748 where: bonds (distance) C4'-P energy: -113.775 bonds (distance) P-C4' energy: -122.699 flat angles C4'-P-C4' energy: -132.890 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: -107.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1391.281528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.281528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.281528 (E_RNA) where: Base-Base interactions energy: -893.006 where: short stacking energy: -393.463 Base-Backbone interact. energy: -0.570 local terms energy: -497.705860 where: bonds (distance) C4'-P energy: -100.106 bonds (distance) P-C4' energy: -118.410 flat angles C4'-P-C4' energy: -115.171 flat angles P-C4'-P energy: -72.345 tors. eta vs tors. theta energy: -91.674 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: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1029.441125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.441125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.441125 (E_RNA) where: Base-Base interactions energy: -596.809 where: short stacking energy: -326.592 Base-Backbone interact. energy: 3.607 local terms energy: -436.238894 where: bonds (distance) C4'-P energy: -97.772 bonds (distance) P-C4' energy: -107.185 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -83.969 tors. eta vs tors. theta energy: -63.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -911.121613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.121613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.121613 (E_RNA) where: Base-Base interactions energy: -519.602 where: short stacking energy: -245.164 Base-Backbone interact. energy: -2.482 local terms energy: -389.036755 where: bonds (distance) C4'-P energy: -103.927 bonds (distance) P-C4' energy: -107.553 flat angles C4'-P-C4' energy: -99.127 flat angles P-C4'-P energy: -59.207 tors. eta vs tors. theta energy: -19.223 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: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -685.116217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.116217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.116217 (E_RNA) where: Base-Base interactions energy: -316.810 where: short stacking energy: -185.386 Base-Backbone interact. energy: -0.990 local terms energy: -367.316552 where: bonds (distance) C4'-P energy: -106.240 bonds (distance) P-C4' energy: -110.668 flat angles C4'-P-C4' energy: -103.629 flat angles P-C4'-P energy: -58.477 tors. eta vs tors. theta energy: 11.696 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: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -563.721927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.721927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.721927 (E_RNA) where: Base-Base interactions energy: -230.485 where: short stacking energy: -159.374 Base-Backbone interact. energy: -0.484 local terms energy: -332.752487 where: bonds (distance) C4'-P energy: -92.652 bonds (distance) P-C4' energy: -101.701 flat angles C4'-P-C4' energy: -86.911 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1960.926837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.926837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.926837 (E_RNA) where: Base-Base interactions energy: -1320.232 where: short stacking energy: -582.214 Base-Backbone interact. energy: -2.437 local terms energy: -638.257469 where: bonds (distance) C4'-P energy: -128.247 bonds (distance) P-C4' energy: -129.944 flat angles C4'-P-C4' energy: -139.820 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -156.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1817.399892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.399892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.399892 (E_RNA) where: Base-Base interactions energy: -1194.252 where: short stacking energy: -571.666 Base-Backbone interact. energy: -0.879 local terms energy: -622.269178 where: bonds (distance) C4'-P energy: -118.272 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -137.806 flat angles P-C4'-P energy: -76.609 tors. eta vs tors. theta energy: -157.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1741.846531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.846531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.846531 (E_RNA) where: Base-Base interactions energy: -1124.867 where: short stacking energy: -542.912 Base-Backbone interact. energy: -5.803 local terms energy: -611.176204 where: bonds (distance) C4'-P energy: -125.766 bonds (distance) P-C4' energy: -132.443 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -84.274 tors. eta vs tors. theta energy: -134.770 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: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1619.406271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.406271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.406271 (E_RNA) where: Base-Base interactions energy: -1044.048 where: short stacking energy: -486.942 Base-Backbone interact. energy: -3.077 local terms energy: -572.281730 where: bonds (distance) C4'-P energy: -111.942 bonds (distance) P-C4' energy: -104.944 flat angles C4'-P-C4' energy: -125.826 flat angles P-C4'-P energy: -94.407 tors. eta vs tors. theta energy: -135.163 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: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1532.294572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.294572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.294572 (E_RNA) where: Base-Base interactions energy: -987.953 where: short stacking energy: -458.171 Base-Backbone interact. energy: 0.358 local terms energy: -544.699976 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -100.047 flat angles C4'-P-C4' energy: -132.721 flat angles P-C4'-P energy: -89.445 tors. eta vs tors. theta energy: -107.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1377.278463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.278463 (E_RNA) where: Base-Base interactions energy: -861.484 where: short stacking energy: -404.483 Base-Backbone interact. energy: 4.237 local terms energy: -520.031918 where: bonds (distance) C4'-P energy: -100.190 bonds (distance) P-C4' energy: -119.132 flat angles C4'-P-C4' energy: -132.270 flat angles P-C4'-P energy: -68.533 tors. eta vs tors. theta energy: -99.906 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: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1070.624507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.624507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.624507 (E_RNA) where: Base-Base interactions energy: -626.545 where: short stacking energy: -333.608 Base-Backbone interact. energy: -0.956 local terms energy: -443.124126 where: bonds (distance) C4'-P energy: -103.961 bonds (distance) P-C4' energy: -103.883 flat angles C4'-P-C4' energy: -103.578 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -60.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -915.534642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.534642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.534642 (E_RNA) where: Base-Base interactions energy: -534.431 where: short stacking energy: -283.166 Base-Backbone interact. energy: -5.696 local terms energy: -375.407904 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -104.707 flat angles C4'-P-C4' energy: -99.985 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -26.510 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: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -732.060087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.060087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.060087 (E_RNA) where: Base-Base interactions energy: -395.008 where: short stacking energy: -217.367 Base-Backbone interact. energy: -1.069 local terms energy: -335.983265 where: bonds (distance) C4'-P energy: -106.153 bonds (distance) P-C4' energy: -102.048 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -43.465 tors. eta vs tors. theta energy: -13.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -540.901417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.901417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.901417 (E_RNA) where: Base-Base interactions energy: -201.386 where: short stacking energy: -144.328 Base-Backbone interact. energy: 1.706 local terms energy: -341.221658 where: bonds (distance) C4'-P energy: -90.570 bonds (distance) P-C4' energy: -111.970 flat angles C4'-P-C4' energy: -113.800 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: 17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1982.376743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.376743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.376743 (E_RNA) where: Base-Base interactions energy: -1315.667 where: short stacking energy: -582.652 Base-Backbone interact. energy: -5.499 local terms energy: -661.210891 where: bonds (distance) C4'-P energy: -112.987 bonds (distance) P-C4' energy: -132.898 flat angles C4'-P-C4' energy: -155.603 flat angles P-C4'-P energy: -95.765 tors. eta vs tors. theta energy: -163.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1795.344560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.344560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.344560 (E_RNA) where: Base-Base interactions energy: -1181.072 where: short stacking energy: -547.176 Base-Backbone interact. energy: -3.085 local terms energy: -611.187643 where: bonds (distance) C4'-P energy: -121.497 bonds (distance) P-C4' energy: -120.515 flat angles C4'-P-C4' energy: -137.234 flat angles P-C4'-P energy: -79.230 tors. eta vs tors. theta energy: -152.712 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: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1796.007557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.007557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.007557 (E_RNA) where: Base-Base interactions energy: -1180.883 where: short stacking energy: -520.200 Base-Backbone interact. energy: -3.054 local terms energy: -612.070894 where: bonds (distance) C4'-P energy: -127.823 bonds (distance) P-C4' energy: -125.033 flat angles C4'-P-C4' energy: -134.919 flat angles P-C4'-P energy: -76.541 tors. eta vs tors. theta energy: -147.756 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: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1638.602301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.602301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.602301 (E_RNA) where: Base-Base interactions energy: -1066.834 where: short stacking energy: -495.881 Base-Backbone interact. energy: -1.642 local terms energy: -570.126385 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -115.043 flat angles C4'-P-C4' energy: -126.206 flat angles P-C4'-P energy: -82.489 tors. eta vs tors. theta energy: -127.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1510.375815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.375815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.375815 (E_RNA) where: Base-Base interactions energy: -967.338 where: short stacking energy: -442.700 Base-Backbone interact. energy: 2.880 local terms energy: -545.917858 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -127.407 flat angles C4'-P-C4' energy: -124.027 flat angles P-C4'-P energy: -73.370 tors. eta vs tors. theta energy: -102.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1349.992111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.992111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.992111 (E_RNA) where: Base-Base interactions energy: -853.612 where: short stacking energy: -408.100 Base-Backbone interact. energy: -2.298 local terms energy: -494.081143 where: bonds (distance) C4'-P energy: -105.709 bonds (distance) P-C4' energy: -105.184 flat angles C4'-P-C4' energy: -118.037 flat angles P-C4'-P energy: -76.375 tors. eta vs tors. theta energy: -88.776 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: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1060.553946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.553946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.553946 (E_RNA) where: Base-Base interactions energy: -616.534 where: short stacking energy: -338.956 Base-Backbone interact. energy: 1.626 local terms energy: -445.646614 where: bonds (distance) C4'-P energy: -101.970 bonds (distance) P-C4' energy: -111.414 flat angles C4'-P-C4' energy: -102.595 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -67.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -947.327960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.327960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.327960 (E_RNA) where: Base-Base interactions energy: -540.612 where: short stacking energy: -262.152 Base-Backbone interact. energy: -3.223 local terms energy: -403.492190 where: bonds (distance) C4'-P energy: -114.900 bonds (distance) P-C4' energy: -117.994 flat angles C4'-P-C4' energy: -93.509 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: -16.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -632.943678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.943678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.943678 (E_RNA) where: Base-Base interactions energy: -273.132 where: short stacking energy: -182.658 Base-Backbone interact. energy: 2.333 local terms energy: -362.144357 where: bonds (distance) C4'-P energy: -96.336 bonds (distance) P-C4' energy: -112.141 flat angles C4'-P-C4' energy: -98.094 flat angles P-C4'-P energy: -64.708 tors. eta vs tors. theta energy: 9.134 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: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -539.048606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.048606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.048606 (E_RNA) where: Base-Base interactions energy: -239.970 where: short stacking energy: -162.386 Base-Backbone interact. energy: -0.714 local terms energy: -298.364602 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -92.398 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -32.016 tors. eta vs tors. theta energy: 20.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1964.355724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.355724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.355724 (E_RNA) where: Base-Base interactions energy: -1313.219 where: short stacking energy: -597.632 Base-Backbone interact. energy: -2.358 local terms energy: -648.778691 where: bonds (distance) C4'-P energy: -122.625 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -101.162 tors. eta vs tors. theta energy: -156.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1828.905764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.905764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.905764 (E_RNA) where: Base-Base interactions energy: -1184.863 where: short stacking energy: -546.008 Base-Backbone interact. energy: -2.495 local terms energy: -641.547954 where: bonds (distance) C4'-P energy: -122.908 bonds (distance) P-C4' energy: -119.596 flat angles C4'-P-C4' energy: -134.800 flat angles P-C4'-P energy: -100.486 tors. eta vs tors. theta energy: -163.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1749.616167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.616167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.616167 (E_RNA) where: Base-Base interactions energy: -1169.901 where: short stacking energy: -528.261 Base-Backbone interact. energy: -3.158 local terms energy: -576.557091 where: bonds (distance) C4'-P energy: -108.738 bonds (distance) P-C4' energy: -118.687 flat angles C4'-P-C4' energy: -131.853 flat angles P-C4'-P energy: -87.496 tors. eta vs tors. theta energy: -129.783 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: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1633.563121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.563121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.563121 (E_RNA) where: Base-Base interactions energy: -1077.389 where: short stacking energy: -471.097 Base-Backbone interact. energy: -4.816 local terms energy: -551.357380 where: bonds (distance) C4'-P energy: -124.764 bonds (distance) P-C4' energy: -109.969 flat angles C4'-P-C4' energy: -123.656 flat angles P-C4'-P energy: -84.047 tors. eta vs tors. theta energy: -108.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1506.359287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.359287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.359287 (E_RNA) where: Base-Base interactions energy: -972.574 where: short stacking energy: -461.943 Base-Backbone interact. energy: -2.182 local terms energy: -531.603515 where: bonds (distance) C4'-P energy: -90.608 bonds (distance) P-C4' energy: -118.218 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -87.017 tors. eta vs tors. theta energy: -109.317 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: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1314.727390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.727390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.727390 (E_RNA) where: Base-Base interactions energy: -827.564 where: short stacking energy: -424.154 Base-Backbone interact. energy: -3.289 local terms energy: -483.874271 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -104.411 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -91.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1061.981894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.981894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.981894 (E_RNA) where: Base-Base interactions energy: -615.395 where: short stacking energy: -323.554 Base-Backbone interact. energy: -1.663 local terms energy: -444.923247 where: bonds (distance) C4'-P energy: -90.491 bonds (distance) P-C4' energy: -118.403 flat angles C4'-P-C4' energy: -113.574 flat angles P-C4'-P energy: -53.109 tors. eta vs tors. theta energy: -69.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -971.258959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.258959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.258959 (E_RNA) where: Base-Base interactions energy: -563.957 where: short stacking energy: -258.780 Base-Backbone interact. energy: 1.135 local terms energy: -408.436466 where: bonds (distance) C4'-P energy: -108.504 bonds (distance) P-C4' energy: -112.212 flat angles C4'-P-C4' energy: -91.440 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -34.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -590.638630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.638630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.638630 (E_RNA) where: Base-Base interactions energy: -263.158 where: short stacking energy: -159.805 Base-Backbone interact. energy: 1.937 local terms energy: -329.417621 where: bonds (distance) C4'-P energy: -121.424 bonds (distance) P-C4' energy: -97.454 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -50.063 tors. eta vs tors. theta energy: 23.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -599.794326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.794326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.794326 (E_RNA) where: Base-Base interactions energy: -273.392 where: short stacking energy: -165.606 Base-Backbone interact. energy: 6.079 local terms energy: -332.481976 where: bonds (distance) C4'-P energy: -107.021 bonds (distance) P-C4' energy: -102.381 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: 10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2009.277954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.277954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.277954 (E_RNA) where: Base-Base interactions energy: -1360.041 where: short stacking energy: -589.934 Base-Backbone interact. energy: -3.211 local terms energy: -646.025586 where: bonds (distance) C4'-P energy: -127.821 bonds (distance) P-C4' energy: -130.355 flat angles C4'-P-C4' energy: -140.549 flat angles P-C4'-P energy: -93.039 tors. eta vs tors. theta energy: -154.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1822.705487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.705487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.705487 (E_RNA) where: Base-Base interactions energy: -1195.750 where: short stacking energy: -546.685 Base-Backbone interact. energy: -2.640 local terms energy: -624.315654 where: bonds (distance) C4'-P energy: -120.964 bonds (distance) P-C4' energy: -118.453 flat angles C4'-P-C4' energy: -133.093 flat angles P-C4'-P energy: -100.412 tors. eta vs tors. theta energy: -151.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1720.437931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.437931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.437931 (E_RNA) where: Base-Base interactions energy: -1155.114 where: short stacking energy: -508.035 Base-Backbone interact. energy: -3.434 local terms energy: -561.890111 where: bonds (distance) C4'-P energy: -130.980 bonds (distance) P-C4' energy: -112.205 flat angles C4'-P-C4' energy: -122.572 flat angles P-C4'-P energy: -64.709 tors. eta vs tors. theta energy: -131.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1631.326417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.326417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.326417 (E_RNA) where: Base-Base interactions energy: -1085.363 where: short stacking energy: -488.535 Base-Backbone interact. energy: 1.448 local terms energy: -547.411922 where: bonds (distance) C4'-P energy: -102.514 bonds (distance) P-C4' energy: -113.775 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -82.043 tors. eta vs tors. theta energy: -127.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1503.587669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.587669 (E_RNA) where: Base-Base interactions energy: -985.899 where: short stacking energy: -448.546 Base-Backbone interact. energy: 1.402 local terms energy: -519.090728 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -124.410 flat angles C4'-P-C4' energy: -117.163 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -101.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1312.561566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.561566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.561566 (E_RNA) where: Base-Base interactions energy: -815.249 where: short stacking energy: -415.340 Base-Backbone interact. energy: -0.322 local terms energy: -496.989945 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -117.831 flat angles C4'-P-C4' energy: -124.800 flat angles P-C4'-P energy: -72.992 tors. eta vs tors. theta energy: -99.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1082.444588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.444588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.444588 (E_RNA) where: Base-Base interactions energy: -647.106 where: short stacking energy: -351.997 Base-Backbone interact. energy: 1.344 local terms energy: -436.683142 where: bonds (distance) C4'-P energy: -95.056 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -83.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -894.731349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.731349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.731349 (E_RNA) where: Base-Base interactions energy: -508.313 where: short stacking energy: -264.128 Base-Backbone interact. energy: -0.095 local terms energy: -386.323576 where: bonds (distance) C4'-P energy: -103.831 bonds (distance) P-C4' energy: -105.703 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -60.279 tors. eta vs tors. theta energy: -22.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -620.041320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.041320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.041320 (E_RNA) where: Base-Base interactions energy: -249.478 where: short stacking energy: -173.836 Base-Backbone interact. energy: 0.693 local terms energy: -371.256568 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -103.852 flat angles C4'-P-C4' energy: -111.519 flat angles P-C4'-P energy: -63.402 tors. eta vs tors. theta energy: 5.126 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: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -641.929091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.929091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.929091 (E_RNA) where: Base-Base interactions energy: -335.179 where: short stacking energy: -194.111 Base-Backbone interact. energy: -0.082 local terms energy: -306.667841 where: bonds (distance) C4'-P energy: -105.513 bonds (distance) P-C4' energy: -100.559 flat angles C4'-P-C4' energy: -82.266 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: 23.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2013.906703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.906703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.906703 (E_RNA) where: Base-Base interactions energy: -1357.058 where: short stacking energy: -598.810 Base-Backbone interact. energy: -0.925 local terms energy: -655.922997 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -133.052 flat angles C4'-P-C4' energy: -136.440 flat angles P-C4'-P energy: -94.195 tors. eta vs tors. theta energy: -161.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1879.698135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.698135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.698135 (E_RNA) where: Base-Base interactions energy: -1239.207 where: short stacking energy: -595.179 Base-Backbone interact. energy: -0.962 local terms energy: -639.529309 where: bonds (distance) C4'-P energy: -123.779 bonds (distance) P-C4' energy: -118.837 flat angles C4'-P-C4' energy: -148.337 flat angles P-C4'-P energy: -87.769 tors. eta vs tors. theta energy: -160.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1754.187095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.187095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.187095 (E_RNA) where: Base-Base interactions energy: -1165.462 where: short stacking energy: -516.290 Base-Backbone interact. energy: -1.212 local terms energy: -587.513309 where: bonds (distance) C4'-P energy: -106.103 bonds (distance) P-C4' energy: -114.210 flat angles C4'-P-C4' energy: -139.552 flat angles P-C4'-P energy: -96.984 tors. eta vs tors. theta energy: -130.664 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: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1662.064332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.064332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.064332 (E_RNA) where: Base-Base interactions energy: -1079.978 where: short stacking energy: -488.205 Base-Backbone interact. energy: -3.270 local terms energy: -578.816263 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -129.705 flat angles C4'-P-C4' energy: -143.764 flat angles P-C4'-P energy: -82.359 tors. eta vs tors. theta energy: -123.911 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: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1525.603303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.603303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.603303 (E_RNA) where: Base-Base interactions energy: -986.072 where: short stacking energy: -428.782 Base-Backbone interact. energy: -3.859 local terms energy: -535.671728 where: bonds (distance) C4'-P energy: -111.921 bonds (distance) P-C4' energy: -116.351 flat angles C4'-P-C4' energy: -121.412 flat angles P-C4'-P energy: -73.818 tors. eta vs tors. theta energy: -112.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1233.688452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.688452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.688452 (E_RNA) where: Base-Base interactions energy: -764.138 where: short stacking energy: -378.678 Base-Backbone interact. energy: 5.995 local terms energy: -475.546104 where: bonds (distance) C4'-P energy: -117.912 bonds (distance) P-C4' energy: -94.625 flat angles C4'-P-C4' energy: -120.052 flat angles P-C4'-P energy: -70.637 tors. eta vs tors. theta energy: -72.320 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: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1096.081497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.081497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.081497 (E_RNA) where: Base-Base interactions energy: -636.238 where: short stacking energy: -340.514 Base-Backbone interact. energy: -3.839 local terms energy: -456.004249 where: bonds (distance) C4'-P energy: -97.054 bonds (distance) P-C4' energy: -121.381 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -69.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -902.281618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.281618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.281618 (E_RNA) where: Base-Base interactions energy: -524.903 where: short stacking energy: -269.002 Base-Backbone interact. energy: 0.644 local terms energy: -378.022738 where: bonds (distance) C4'-P energy: -94.465 bonds (distance) P-C4' energy: -107.224 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -24.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -697.525626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.525626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.525626 (E_RNA) where: Base-Base interactions energy: -358.840 where: short stacking energy: -201.000 Base-Backbone interact. energy: 0.578 local terms energy: -339.263136 where: bonds (distance) C4'-P energy: -85.544 bonds (distance) P-C4' energy: -101.410 flat angles C4'-P-C4' energy: -104.949 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: 10.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -571.023948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.023948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.023948 (E_RNA) where: Base-Base interactions energy: -235.808 where: short stacking energy: -167.426 Base-Backbone interact. energy: 1.071 local terms energy: -336.286245 where: bonds (distance) C4'-P energy: -92.581 bonds (distance) P-C4' energy: -108.638 flat angles C4'-P-C4' energy: -91.028 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: 9.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2038.881141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.881141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.881141 (E_RNA) where: Base-Base interactions energy: -1397.880 where: short stacking energy: -587.116 Base-Backbone interact. energy: -1.402 local terms energy: -639.599439 where: bonds (distance) C4'-P energy: -130.914 bonds (distance) P-C4' energy: -124.484 flat angles C4'-P-C4' energy: -138.405 flat angles P-C4'-P energy: -90.829 tors. eta vs tors. theta energy: -154.967 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: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1843.439549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.439549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.439549 (E_RNA) where: Base-Base interactions energy: -1201.769 where: short stacking energy: -540.010 Base-Backbone interact. energy: -0.097 local terms energy: -641.573304 where: bonds (distance) C4'-P energy: -119.444 bonds (distance) P-C4' energy: -132.777 flat angles C4'-P-C4' energy: -139.953 flat angles P-C4'-P energy: -86.813 tors. eta vs tors. theta energy: -162.586 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: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1772.667986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.667986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.667986 (E_RNA) where: Base-Base interactions energy: -1178.997 where: short stacking energy: -543.277 Base-Backbone interact. energy: -0.089 local terms energy: -593.581964 where: bonds (distance) C4'-P energy: -118.211 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -133.881 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -144.376 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: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1654.799247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.799247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.799247 (E_RNA) where: Base-Base interactions energy: -1089.590 where: short stacking energy: -477.556 Base-Backbone interact. energy: 1.354 local terms energy: -566.563379 where: bonds (distance) C4'-P energy: -109.515 bonds (distance) P-C4' energy: -107.176 flat angles C4'-P-C4' energy: -133.328 flat angles P-C4'-P energy: -84.099 tors. eta vs tors. theta energy: -132.445 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: 5, replica: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1573.349609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.349609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.349609 (E_RNA) where: Base-Base interactions energy: -1050.609 where: short stacking energy: -471.925 Base-Backbone interact. energy: -0.030 local terms energy: -522.710525 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -107.017 flat angles C4'-P-C4' energy: -117.652 flat angles P-C4'-P energy: -68.037 tors. eta vs tors. theta energy: -118.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1237.448914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.448914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.448914 (E_RNA) where: Base-Base interactions energy: -743.960 where: short stacking energy: -365.041 Base-Backbone interact. energy: -0.449 local terms energy: -493.040537 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -115.786 flat angles C4'-P-C4' energy: -108.796 flat angles P-C4'-P energy: -58.795 tors. eta vs tors. theta energy: -92.003 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: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1058.788471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.788471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.788471 (E_RNA) where: Base-Base interactions energy: -610.017 where: short stacking energy: -323.242 Base-Backbone interact. energy: -1.303 local terms energy: -447.468800 where: bonds (distance) C4'-P energy: -108.786 bonds (distance) P-C4' energy: -101.390 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -52.554 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: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -913.945613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.945613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.945613 (E_RNA) where: Base-Base interactions energy: -551.803 where: short stacking energy: -256.901 Base-Backbone interact. energy: 4.566 local terms energy: -366.708803 where: bonds (distance) C4'-P energy: -109.821 bonds (distance) P-C4' energy: -89.058 flat angles C4'-P-C4' energy: -88.214 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -22.927 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -776.773004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.773004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.773004 (E_RNA) where: Base-Base interactions energy: -399.544 where: short stacking energy: -230.839 Base-Backbone interact. energy: 2.344 local terms energy: -379.572767 where: bonds (distance) C4'-P energy: -104.302 bonds (distance) P-C4' energy: -114.709 flat angles C4'-P-C4' energy: -88.923 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -27.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -534.926446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.926446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.926446 (E_RNA) where: Base-Base interactions energy: -203.638 where: short stacking energy: -143.904 Base-Backbone interact. energy: 2.491 local terms energy: -333.780032 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -112.746 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: 2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2073.261942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.261942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.261942 (E_RNA) where: Base-Base interactions energy: -1436.994 where: short stacking energy: -607.602 Base-Backbone interact. energy: -2.207 local terms energy: -634.061632 where: bonds (distance) C4'-P energy: -134.951 bonds (distance) P-C4' energy: -127.492 flat angles C4'-P-C4' energy: -138.244 flat angles P-C4'-P energy: -82.903 tors. eta vs tors. theta energy: -150.471 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: 2, replica: 8 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1859.806339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.806339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.806339 (E_RNA) where: Base-Base interactions energy: -1235.222 where: short stacking energy: -568.001 Base-Backbone interact. energy: 0.489 local terms energy: -625.073868 where: bonds (distance) C4'-P energy: -111.558 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -137.577 flat angles P-C4'-P energy: -94.705 tors. eta vs tors. theta energy: -155.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1745.988757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.988757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.988757 (E_RNA) where: Base-Base interactions energy: -1151.765 where: short stacking energy: -523.521 Base-Backbone interact. energy: -2.334 local terms energy: -591.889879 where: bonds (distance) C4'-P energy: -121.926 bonds (distance) P-C4' energy: -120.276 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -84.410 tors. eta vs tors. theta energy: -140.995 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: 58 Temperature: 1.050000 Total energy: -1657.204434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.204434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.204434 (E_RNA) where: Base-Base interactions energy: -1093.225 where: short stacking energy: -491.134 Base-Backbone interact. energy: -0.727 local terms energy: -563.252886 where: bonds (distance) C4'-P energy: -107.035 bonds (distance) P-C4' energy: -103.941 flat angles C4'-P-C4' energy: -141.335 flat angles P-C4'-P energy: -82.650 tors. eta vs tors. theta energy: -128.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1504.555436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.555436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.555436 (E_RNA) where: Base-Base interactions energy: -993.243 where: short stacking energy: -452.854 Base-Backbone interact. energy: -0.161 local terms energy: -511.150968 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -98.577 flat angles C4'-P-C4' energy: -120.160 flat angles P-C4'-P energy: -64.783 tors. eta vs tors. theta energy: -116.111 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: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1206.331313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.331313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.331313 (E_RNA) where: Base-Base interactions energy: -738.389 where: short stacking energy: -353.074 Base-Backbone interact. energy: -0.783 local terms energy: -467.159876 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -123.776 flat angles C4'-P-C4' energy: -100.447 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -77.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1006.787487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.787487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.787487 (E_RNA) where: Base-Base interactions energy: -577.427 where: short stacking energy: -291.587 Base-Backbone interact. energy: 3.114 local terms energy: -432.474194 where: bonds (distance) C4'-P energy: -106.732 bonds (distance) P-C4' energy: -107.686 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -62.338 tors. eta vs tors. theta energy: -40.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -912.446286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.446286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.446286 (E_RNA) where: Base-Base interactions energy: -519.086 where: short stacking energy: -270.394 Base-Backbone interact. energy: -0.144 local terms energy: -393.215945 where: bonds (distance) C4'-P energy: -92.584 bonds (distance) P-C4' energy: -114.746 flat angles C4'-P-C4' energy: -82.648 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -46.973 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: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -772.829408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.829408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.829408 (E_RNA) where: Base-Base interactions energy: -405.635 where: short stacking energy: -250.109 Base-Backbone interact. energy: 0.199 local terms energy: -367.393172 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -87.549 flat angles C4'-P-C4' energy: -96.934 flat angles P-C4'-P energy: -55.020 tors. eta vs tors. theta energy: -28.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -534.063100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.063100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.063100 (E_RNA) where: Base-Base interactions energy: -208.183 where: short stacking energy: -166.462 Base-Backbone interact. energy: 4.742 local terms energy: -330.621885 where: bonds (distance) C4'-P energy: -95.513 bonds (distance) P-C4' energy: -112.255 flat angles C4'-P-C4' energy: -76.072 flat angles P-C4'-P energy: -46.272 tors. eta vs tors. theta energy: -0.510 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: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2053.920177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.920177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.920177 (E_RNA) where: Base-Base interactions energy: -1428.015 where: short stacking energy: -589.756 Base-Backbone interact. energy: -7.221 local terms energy: -618.683990 where: bonds (distance) C4'-P energy: -121.344 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -135.028 flat angles P-C4'-P energy: -88.360 tors. eta vs tors. theta energy: -157.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1936.088273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.088273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.088273 (E_RNA) where: Base-Base interactions energy: -1270.092 where: short stacking energy: -602.642 Base-Backbone interact. energy: -2.305 local terms energy: -663.691823 where: bonds (distance) C4'-P energy: -126.789 bonds (distance) P-C4' energy: -127.156 flat angles C4'-P-C4' energy: -144.045 flat angles P-C4'-P energy: -95.704 tors. eta vs tors. theta energy: -169.999 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: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1782.375147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.375147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.375147 (E_RNA) where: Base-Base interactions energy: -1174.754 where: short stacking energy: -533.521 Base-Backbone interact. energy: -0.361 local terms energy: -607.259684 where: bonds (distance) C4'-P energy: -117.568 bonds (distance) P-C4' energy: -113.071 flat angles C4'-P-C4' energy: -149.443 flat angles P-C4'-P energy: -77.931 tors. eta vs tors. theta energy: -149.246 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: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1734.546192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.546192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.546192 (E_RNA) where: Base-Base interactions energy: -1147.062 where: short stacking energy: -509.563 Base-Backbone interact. energy: -3.612 local terms energy: -583.871662 where: bonds (distance) C4'-P energy: -97.147 bonds (distance) P-C4' energy: -120.242 flat angles C4'-P-C4' energy: -135.433 flat angles P-C4'-P energy: -95.354 tors. eta vs tors. theta energy: -135.695 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: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1524.410137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.410137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.410137 (E_RNA) where: Base-Base interactions energy: -978.409 where: short stacking energy: -430.366 Base-Backbone interact. energy: -4.437 local terms energy: -541.564448 where: bonds (distance) C4'-P energy: -109.456 bonds (distance) P-C4' energy: -123.551 flat angles C4'-P-C4' energy: -126.292 flat angles P-C4'-P energy: -78.446 tors. eta vs tors. theta energy: -103.819 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: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1233.572504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.572504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.572504 (E_RNA) where: Base-Base interactions energy: -780.516 where: short stacking energy: -366.989 Base-Backbone interact. energy: 4.290 local terms energy: -457.346064 where: bonds (distance) C4'-P energy: -110.224 bonds (distance) P-C4' energy: -110.120 flat angles C4'-P-C4' energy: -109.881 flat angles P-C4'-P energy: -62.232 tors. eta vs tors. theta energy: -64.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1029.168058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.168058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.168058 (E_RNA) where: Base-Base interactions energy: -611.632 where: short stacking energy: -310.291 Base-Backbone interact. energy: -0.925 local terms energy: -416.610663 where: bonds (distance) C4'-P energy: -102.512 bonds (distance) P-C4' energy: -113.443 flat angles C4'-P-C4' energy: -89.784 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -48.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -866.659804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.659804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.659804 (E_RNA) where: Base-Base interactions energy: -460.418 where: short stacking energy: -253.086 Base-Backbone interact. energy: -1.603 local terms energy: -404.638137 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -115.852 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -24.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -687.118662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.118662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.118662 (E_RNA) where: Base-Base interactions energy: -326.229 where: short stacking energy: -199.115 Base-Backbone interact. energy: -1.786 local terms energy: -359.103929 where: bonds (distance) C4'-P energy: -100.749 bonds (distance) P-C4' energy: -108.547 flat angles C4'-P-C4' energy: -99.320 flat angles P-C4'-P energy: -57.403 tors. eta vs tors. theta energy: 6.915 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: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -563.413642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.413642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.413642 (E_RNA) where: Base-Base interactions energy: -214.538 where: short stacking energy: -141.801 Base-Backbone interact. energy: -1.070 local terms energy: -347.805339 where: bonds (distance) C4'-P energy: -97.383 bonds (distance) P-C4' energy: -108.315 flat angles C4'-P-C4' energy: -98.667 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: 18.520 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: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2050.484880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.484880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.484880 (E_RNA) where: Base-Base interactions energy: -1404.605 where: short stacking energy: -583.951 Base-Backbone interact. energy: -3.512 local terms energy: -642.368454 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -117.099 flat angles C4'-P-C4' energy: -144.252 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -163.097 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: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1893.663466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.663466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.663466 (E_RNA) where: Base-Base interactions energy: -1269.891 where: short stacking energy: -579.594 Base-Backbone interact. energy: -1.549 local terms energy: -622.222906 where: bonds (distance) C4'-P energy: -104.396 bonds (distance) P-C4' energy: -104.386 flat angles C4'-P-C4' energy: -145.684 flat angles P-C4'-P energy: -93.851 tors. eta vs tors. theta energy: -173.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1794.707838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.707838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.707838 (E_RNA) where: Base-Base interactions energy: -1210.434 where: short stacking energy: -504.262 Base-Backbone interact. energy: -1.953 local terms energy: -582.320868 where: bonds (distance) C4'-P energy: -124.132 bonds (distance) P-C4' energy: -125.502 flat angles C4'-P-C4' energy: -116.694 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -138.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1693.224673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.224673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.224673 (E_RNA) where: Base-Base interactions energy: -1133.244 where: short stacking energy: -515.176 Base-Backbone interact. energy: -0.252 local terms energy: -559.728681 where: bonds (distance) C4'-P energy: -115.495 bonds (distance) P-C4' energy: -119.585 flat angles C4'-P-C4' energy: -116.667 flat angles P-C4'-P energy: -82.126 tors. eta vs tors. theta energy: -125.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1555.773109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.773109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.773109 (E_RNA) where: Base-Base interactions energy: -997.267 where: short stacking energy: -450.964 Base-Backbone interact. energy: -0.403 local terms energy: -558.103364 where: bonds (distance) C4'-P energy: -116.123 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -142.075 flat angles P-C4'-P energy: -70.145 tors. eta vs tors. theta energy: -119.397 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: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1230.562452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.562452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.562452 (E_RNA) where: Base-Base interactions energy: -772.823 where: short stacking energy: -363.592 Base-Backbone interact. energy: 0.032 local terms energy: -457.771578 where: bonds (distance) C4'-P energy: -106.843 bonds (distance) P-C4' energy: -118.061 flat angles C4'-P-C4' energy: -99.613 flat angles P-C4'-P energy: -67.895 tors. eta vs tors. theta energy: -65.360 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: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1021.656688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.656688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.656688 (E_RNA) where: Base-Base interactions energy: -613.677 where: short stacking energy: -286.338 Base-Backbone interact. energy: -3.378 local terms energy: -404.602126 where: bonds (distance) C4'-P energy: -103.136 bonds (distance) P-C4' energy: -105.639 flat angles C4'-P-C4' energy: -98.457 flat angles P-C4'-P energy: -59.887 tors. eta vs tors. theta energy: -37.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -911.342868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.342868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.342868 (E_RNA) where: Base-Base interactions energy: -500.235 where: short stacking energy: -245.689 Base-Backbone interact. energy: -1.078 local terms energy: -410.029837 where: bonds (distance) C4'-P energy: -109.538 bonds (distance) P-C4' energy: -112.728 flat angles C4'-P-C4' energy: -91.705 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -35.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -645.660701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.660701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.660701 (E_RNA) where: Base-Base interactions energy: -308.101 where: short stacking energy: -185.292 Base-Backbone interact. energy: 0.051 local terms energy: -337.611013 where: bonds (distance) C4'-P energy: -88.292 bonds (distance) P-C4' energy: -106.964 flat angles C4'-P-C4' energy: -89.388 flat angles P-C4'-P energy: -56.613 tors. eta vs tors. theta energy: 3.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -596.703192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.703192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.703192 (E_RNA) where: Base-Base interactions energy: -241.734 where: short stacking energy: -154.040 Base-Backbone interact. energy: 4.896 local terms energy: -359.864379 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -106.318 flat angles C4'-P-C4' energy: -84.782 flat angles P-C4'-P energy: -57.439 tors. eta vs tors. theta energy: 5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2040.282948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.282948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.282948 (E_RNA) where: Base-Base interactions energy: -1408.783 where: short stacking energy: -584.184 Base-Backbone interact. energy: -5.281 local terms energy: -626.218618 where: bonds (distance) C4'-P energy: -131.254 bonds (distance) P-C4' energy: -114.737 flat angles C4'-P-C4' energy: -144.020 flat angles P-C4'-P energy: -87.759 tors. eta vs tors. theta energy: -148.449 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: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1871.082874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.082874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.082874 (E_RNA) where: Base-Base interactions energy: -1234.624 where: short stacking energy: -543.647 Base-Backbone interact. energy: 3.356 local terms energy: -639.814723 where: bonds (distance) C4'-P energy: -129.736 bonds (distance) P-C4' energy: -122.436 flat angles C4'-P-C4' energy: -142.728 flat angles P-C4'-P energy: -94.739 tors. eta vs tors. theta energy: -150.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1830.477809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.477809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.477809 (E_RNA) where: Base-Base interactions energy: -1228.789 where: short stacking energy: -565.593 Base-Backbone interact. energy: -3.709 local terms energy: -597.979925 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -86.164 tors. eta vs tors. theta energy: -142.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1752.825764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.825764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.825764 (E_RNA) where: Base-Base interactions energy: -1182.356 where: short stacking energy: -532.578 Base-Backbone interact. energy: 0.380 local terms energy: -570.849184 where: bonds (distance) C4'-P energy: -103.207 bonds (distance) P-C4' energy: -119.524 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -73.242 tors. eta vs tors. theta energy: -142.422 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: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1575.947932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.947932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.947932 (E_RNA) where: Base-Base interactions energy: -1023.045 where: short stacking energy: -455.531 Base-Backbone interact. energy: -3.536 local terms energy: -549.366799 where: bonds (distance) C4'-P energy: -110.999 bonds (distance) P-C4' energy: -120.751 flat angles C4'-P-C4' energy: -118.170 flat angles P-C4'-P energy: -72.836 tors. eta vs tors. theta energy: -126.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1323.445861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.445861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.445861 (E_RNA) where: Base-Base interactions energy: -840.820 where: short stacking energy: -388.431 Base-Backbone interact. energy: -1.159 local terms energy: -481.466296 where: bonds (distance) C4'-P energy: -105.209 bonds (distance) P-C4' energy: -116.734 flat angles C4'-P-C4' energy: -90.413 flat angles P-C4'-P energy: -69.229 tors. eta vs tors. theta energy: -99.882 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: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -957.455285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.455285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.455285 (E_RNA) where: Base-Base interactions energy: -554.044 where: short stacking energy: -297.862 Base-Backbone interact. energy: 0.074 local terms energy: -403.485494 where: bonds (distance) C4'-P energy: -98.903 bonds (distance) P-C4' energy: -97.514 flat angles C4'-P-C4' energy: -111.070 flat angles P-C4'-P energy: -54.430 tors. eta vs tors. theta energy: -41.568 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: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -878.909352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.909352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.909352 (E_RNA) where: Base-Base interactions energy: -473.171 where: short stacking energy: -258.671 Base-Backbone interact. energy: -3.054 local terms energy: -402.683598 where: bonds (distance) C4'-P energy: -100.468 bonds (distance) P-C4' energy: -116.732 flat angles C4'-P-C4' energy: -93.720 flat angles P-C4'-P energy: -59.871 tors. eta vs tors. theta energy: -31.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -664.048847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.048847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.048847 (E_RNA) where: Base-Base interactions energy: -303.569 where: short stacking energy: -196.524 Base-Backbone interact. energy: -2.336 local terms energy: -358.144205 where: bonds (distance) C4'-P energy: -98.102 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -81.298 flat angles P-C4'-P energy: -59.555 tors. eta vs tors. theta energy: 4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -640.580077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.580077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.580077 (E_RNA) where: Base-Base interactions energy: -309.063 where: short stacking energy: -179.706 Base-Backbone interact. energy: 2.113 local terms energy: -333.630639 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -90.183 flat angles P-C4'-P energy: -42.267 tors. eta vs tors. theta energy: 19.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2042.540903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.540903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.540903 (E_RNA) where: Base-Base interactions energy: -1410.557 where: short stacking energy: -592.793 Base-Backbone interact. energy: -1.229 local terms energy: -630.754528 where: bonds (distance) C4'-P energy: -127.196 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -139.150 flat angles P-C4'-P energy: -102.437 tors. eta vs tors. theta energy: -153.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1955.135587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.135587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.135587 (E_RNA) where: Base-Base interactions energy: -1326.021 where: short stacking energy: -581.021 Base-Backbone interact. energy: -2.692 local terms energy: -626.422108 where: bonds (distance) C4'-P energy: -113.631 bonds (distance) P-C4' energy: -121.074 flat angles C4'-P-C4' energy: -145.268 flat angles P-C4'-P energy: -87.022 tors. eta vs tors. theta energy: -159.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1820.524931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.524931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.524931 (E_RNA) where: Base-Base interactions energy: -1210.958 where: short stacking energy: -538.547 Base-Backbone interact. energy: -0.855 local terms energy: -608.711518 where: bonds (distance) C4'-P energy: -110.455 bonds (distance) P-C4' energy: -127.213 flat angles C4'-P-C4' energy: -144.841 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -143.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1749.674291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.674291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.674291 (E_RNA) where: Base-Base interactions energy: -1174.438 where: short stacking energy: -503.550 Base-Backbone interact. energy: -2.828 local terms energy: -572.407958 where: bonds (distance) C4'-P energy: -119.039 bonds (distance) P-C4' energy: -123.911 flat angles C4'-P-C4' energy: -120.620 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -127.136 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: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1617.189942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.189942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.189942 (E_RNA) where: Base-Base interactions energy: -1078.202 where: short stacking energy: -462.358 Base-Backbone interact. energy: -2.044 local terms energy: -536.943781 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -112.385 flat angles C4'-P-C4' energy: -128.704 flat angles P-C4'-P energy: -78.406 tors. eta vs tors. theta energy: -119.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1291.353588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.353588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.353588 (E_RNA) where: Base-Base interactions energy: -792.142 where: short stacking energy: -381.158 Base-Backbone interact. energy: -1.105 local terms energy: -498.105956 where: bonds (distance) C4'-P energy: -107.059 bonds (distance) P-C4' energy: -122.320 flat angles C4'-P-C4' energy: -114.357 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -77.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1040.994724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.994724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.994724 (E_RNA) where: Base-Base interactions energy: -623.564 where: short stacking energy: -302.776 Base-Backbone interact. energy: -1.853 local terms energy: -415.577336 where: bonds (distance) C4'-P energy: -116.054 bonds (distance) P-C4' energy: -95.145 flat angles C4'-P-C4' energy: -103.487 flat angles P-C4'-P energy: -63.851 tors. eta vs tors. theta energy: -37.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -867.606273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.606273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.606273 (E_RNA) where: Base-Base interactions energy: -504.900 where: short stacking energy: -265.796 Base-Backbone interact. energy: -0.219 local terms energy: -362.487169 where: bonds (distance) C4'-P energy: -93.629 bonds (distance) P-C4' energy: -107.384 flat angles C4'-P-C4' energy: -89.333 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -22.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -586.402731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.402731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.402731 (E_RNA) where: Base-Base interactions energy: -257.550 where: short stacking energy: -165.027 Base-Backbone interact. energy: 3.545 local terms energy: -332.397144 where: bonds (distance) C4'-P energy: -95.438 bonds (distance) P-C4' energy: -101.157 flat angles C4'-P-C4' energy: -103.934 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: 14.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -669.385062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.385062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.385062 (E_RNA) where: Base-Base interactions energy: -341.896 where: short stacking energy: -208.484 Base-Backbone interact. energy: -1.699 local terms energy: -325.789925 where: bonds (distance) C4'-P energy: -83.876 bonds (distance) P-C4' energy: -98.148 flat angles C4'-P-C4' energy: -86.467 flat angles P-C4'-P energy: -53.849 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2040.625473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.625473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.625473 (E_RNA) where: Base-Base interactions energy: -1406.236 where: short stacking energy: -568.558 Base-Backbone interact. energy: -3.746 local terms energy: -630.643416 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -127.760 flat angles C4'-P-C4' energy: -142.134 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -144.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1919.547490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.547490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.547490 (E_RNA) where: Base-Base interactions energy: -1282.198 where: short stacking energy: -553.093 Base-Backbone interact. energy: 3.667 local terms energy: -641.016327 where: bonds (distance) C4'-P energy: -129.922 bonds (distance) P-C4' energy: -125.479 flat angles C4'-P-C4' energy: -139.918 flat angles P-C4'-P energy: -79.690 tors. eta vs tors. theta energy: -166.007 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: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1800.290976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.290976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.290976 (E_RNA) where: Base-Base interactions energy: -1216.602 where: short stacking energy: -517.664 Base-Backbone interact. energy: 6.292 local terms energy: -589.981181 where: bonds (distance) C4'-P energy: -107.296 bonds (distance) P-C4' energy: -122.388 flat angles C4'-P-C4' energy: -129.687 flat angles P-C4'-P energy: -94.505 tors. eta vs tors. theta energy: -136.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1754.390761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.390761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.390761 (E_RNA) where: Base-Base interactions energy: -1163.681 where: short stacking energy: -477.452 Base-Backbone interact. energy: -2.966 local terms energy: -587.744062 where: bonds (distance) C4'-P energy: -114.686 bonds (distance) P-C4' energy: -112.711 flat angles C4'-P-C4' energy: -126.463 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -141.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1606.824283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.824283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.824283 (E_RNA) where: Base-Base interactions energy: -1054.388 where: short stacking energy: -469.310 Base-Backbone interact. energy: 1.654 local terms energy: -554.089980 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -117.412 flat angles C4'-P-C4' energy: -123.490 flat angles P-C4'-P energy: -77.970 tors. eta vs tors. theta energy: -119.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1320.250952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.250952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.250952 (E_RNA) where: Base-Base interactions energy: -835.780 where: short stacking energy: -411.835 Base-Backbone interact. energy: -3.221 local terms energy: -481.250284 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -110.183 flat angles C4'-P-C4' energy: -110.592 flat angles P-C4'-P energy: -59.480 tors. eta vs tors. theta energy: -95.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1082.257515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.257515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.257515 (E_RNA) where: Base-Base interactions energy: -613.478 where: short stacking energy: -328.043 Base-Backbone interact. energy: -1.443 local terms energy: -467.336646 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -116.382 flat angles C4'-P-C4' energy: -111.115 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -64.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -876.950652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.950652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.950652 (E_RNA) where: Base-Base interactions energy: -487.286 where: short stacking energy: -244.010 Base-Backbone interact. energy: 4.156 local terms energy: -393.820566 where: bonds (distance) C4'-P energy: -112.178 bonds (distance) P-C4' energy: -96.752 flat angles C4'-P-C4' energy: -108.828 flat angles P-C4'-P energy: -61.072 tors. eta vs tors. theta energy: -14.990 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: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -598.064520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.064520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.064520 (E_RNA) where: Base-Base interactions energy: -261.391 where: short stacking energy: -197.746 Base-Backbone interact. energy: -0.078 local terms energy: -336.595590 where: bonds (distance) C4'-P energy: -80.739 bonds (distance) P-C4' energy: -118.389 flat angles C4'-P-C4' energy: -91.031 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: 2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -687.054915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.054915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.054915 (E_RNA) where: Base-Base interactions energy: -329.764 where: short stacking energy: -189.316 Base-Backbone interact. energy: 1.321 local terms energy: -358.612586 where: bonds (distance) C4'-P energy: -89.391 bonds (distance) P-C4' energy: -104.053 flat angles C4'-P-C4' energy: -92.736 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2075.906758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.906758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.906758 (E_RNA) where: Base-Base interactions energy: -1437.421 where: short stacking energy: -614.381 Base-Backbone interact. energy: -1.870 local terms energy: -636.615912 where: bonds (distance) C4'-P energy: -124.663 bonds (distance) P-C4' energy: -134.806 flat angles C4'-P-C4' energy: -131.215 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -156.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1929.474866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.474866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.474866 (E_RNA) where: Base-Base interactions energy: -1268.537 where: short stacking energy: -565.028 Base-Backbone interact. energy: -5.474 local terms energy: -655.464637 where: bonds (distance) C4'-P energy: -135.587 bonds (distance) P-C4' energy: -124.039 flat angles C4'-P-C4' energy: -136.452 flat angles P-C4'-P energy: -93.904 tors. eta vs tors. theta energy: -165.483 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: 64 Temperature: 1.000000 Total energy: -1843.761119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.761119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.761119 (E_RNA) where: Base-Base interactions energy: -1229.075 where: short stacking energy: -504.719 Base-Backbone interact. energy: -2.563 local terms energy: -612.123619 where: bonds (distance) C4'-P energy: -126.343 bonds (distance) P-C4' energy: -116.827 flat angles C4'-P-C4' energy: -126.144 flat angles P-C4'-P energy: -99.984 tors. eta vs tors. theta energy: -142.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1754.337239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.337239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.337239 (E_RNA) where: Base-Base interactions energy: -1191.850 where: short stacking energy: -520.618 Base-Backbone interact. energy: -3.551 local terms energy: -558.936601 where: bonds (distance) C4'-P energy: -109.008 bonds (distance) P-C4' energy: -105.852 flat angles C4'-P-C4' energy: -127.531 flat angles P-C4'-P energy: -86.834 tors. eta vs tors. theta energy: -129.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1626.691260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.691260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.691260 (E_RNA) where: Base-Base interactions energy: -1043.687 where: short stacking energy: -457.610 Base-Backbone interact. energy: -3.229 local terms energy: -579.774964 where: bonds (distance) C4'-P energy: -119.427 bonds (distance) P-C4' energy: -122.874 flat angles C4'-P-C4' energy: -123.778 flat angles P-C4'-P energy: -80.278 tors. eta vs tors. theta energy: -133.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1261.235806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.235806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.235806 (E_RNA) where: Base-Base interactions energy: -774.150 where: short stacking energy: -402.266 Base-Backbone interact. energy: -0.655 local terms energy: -486.430407 where: bonds (distance) C4'-P energy: -105.848 bonds (distance) P-C4' energy: -126.779 flat angles C4'-P-C4' energy: -107.499 flat angles P-C4'-P energy: -59.151 tors. eta vs tors. theta energy: -87.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1093.265373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.265373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.265373 (E_RNA) where: Base-Base interactions energy: -655.433 where: short stacking energy: -320.972 Base-Backbone interact. energy: 4.674 local terms energy: -442.506851 where: bonds (distance) C4'-P energy: -107.759 bonds (distance) P-C4' energy: -118.080 flat angles C4'-P-C4' energy: -108.237 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -58.273 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: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -811.560944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.560944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.560944 (E_RNA) where: Base-Base interactions energy: -436.666 where: short stacking energy: -267.842 Base-Backbone interact. energy: 2.973 local terms energy: -377.867854 where: bonds (distance) C4'-P energy: -118.228 bonds (distance) P-C4' energy: -104.939 flat angles C4'-P-C4' energy: -70.206 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: -28.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -676.686650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.686650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.686650 (E_RNA) where: Base-Base interactions energy: -302.742 where: short stacking energy: -168.663 Base-Backbone interact. energy: -0.954 local terms energy: -372.989735 where: bonds (distance) C4'-P energy: -93.269 bonds (distance) P-C4' energy: -111.579 flat angles C4'-P-C4' energy: -116.856 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -585.930313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.930313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.930313 (E_RNA) where: Base-Base interactions energy: -242.568 where: short stacking energy: -154.194 Base-Backbone interact. energy: 2.505 local terms energy: -345.867301 where: bonds (distance) C4'-P energy: -106.427 bonds (distance) P-C4' energy: -108.260 flat angles C4'-P-C4' energy: -86.552 flat angles P-C4'-P energy: -56.191 tors. eta vs tors. theta energy: 11.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2117.158624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.158624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.158624 (E_RNA) where: Base-Base interactions energy: -1455.315 where: short stacking energy: -611.630 Base-Backbone interact. energy: -4.560 local terms energy: -657.282782 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -129.685 flat angles C4'-P-C4' energy: -150.425 flat angles P-C4'-P energy: -89.219 tors. eta vs tors. theta energy: -163.275 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: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1946.880139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.880139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.880139 (E_RNA) where: Base-Base interactions energy: -1298.527 where: short stacking energy: -590.236 Base-Backbone interact. energy: -3.112 local terms energy: -645.240718 where: bonds (distance) C4'-P energy: -122.970 bonds (distance) P-C4' energy: -125.003 flat angles C4'-P-C4' energy: -132.350 flat angles P-C4'-P energy: -88.205 tors. eta vs tors. theta energy: -176.712 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: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1843.560206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.560206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.560206 (E_RNA) where: Base-Base interactions energy: -1238.135 where: short stacking energy: -516.261 Base-Backbone interact. energy: -2.533 local terms energy: -602.892117 where: bonds (distance) C4'-P energy: -108.355 bonds (distance) P-C4' energy: -121.311 flat angles C4'-P-C4' energy: -140.884 flat angles P-C4'-P energy: -82.521 tors. eta vs tors. theta energy: -149.821 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: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1684.859463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.859463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.859463 (E_RNA) where: Base-Base interactions energy: -1096.348 where: short stacking energy: -488.405 Base-Backbone interact. energy: -2.299 local terms energy: -586.212995 where: bonds (distance) C4'-P energy: -126.046 bonds (distance) P-C4' energy: -130.967 flat angles C4'-P-C4' energy: -127.023 flat angles P-C4'-P energy: -76.176 tors. eta vs tors. theta energy: -126.001 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: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1509.293803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.293803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.293803 (E_RNA) where: Base-Base interactions energy: -955.056 where: short stacking energy: -455.995 Base-Backbone interact. energy: -1.549 local terms energy: -552.688663 where: bonds (distance) C4'-P energy: -122.747 bonds (distance) P-C4' energy: -113.010 flat angles C4'-P-C4' energy: -131.115 flat angles P-C4'-P energy: -75.257 tors. eta vs tors. theta energy: -110.560 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: 65 Temperature: 1.150000 Total energy: -1237.943363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.943363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.943363 (E_RNA) where: Base-Base interactions energy: -755.706 where: short stacking energy: -385.030 Base-Backbone interact. energy: 3.521 local terms energy: -485.758373 where: bonds (distance) C4'-P energy: -98.662 bonds (distance) P-C4' energy: -100.663 flat angles C4'-P-C4' energy: -126.380 flat angles P-C4'-P energy: -71.836 tors. eta vs tors. theta energy: -88.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1091.964315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.964315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.964315 (E_RNA) where: Base-Base interactions energy: -634.716 where: short stacking energy: -315.288 Base-Backbone interact. energy: -0.273 local terms energy: -456.975594 where: bonds (distance) C4'-P energy: -101.256 bonds (distance) P-C4' energy: -110.061 flat angles C4'-P-C4' energy: -110.658 flat angles P-C4'-P energy: -80.352 tors. eta vs tors. theta energy: -54.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -812.471993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.471993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.471993 (E_RNA) where: Base-Base interactions energy: -434.798 where: short stacking energy: -229.892 Base-Backbone interact. energy: 1.698 local terms energy: -379.371836 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -102.071 flat angles C4'-P-C4' energy: -87.679 flat angles P-C4'-P energy: -61.820 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -658.869489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.869489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.869489 (E_RNA) where: Base-Base interactions energy: -334.746 where: short stacking energy: -232.170 Base-Backbone interact. energy: 1.063 local terms energy: -325.186146 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -102.131 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: 0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -604.523091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.523091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.523091 (E_RNA) where: Base-Base interactions energy: -288.113 where: short stacking energy: -167.483 Base-Backbone interact. energy: 0.253 local terms energy: -316.663411 where: bonds (distance) C4'-P energy: -74.884 bonds (distance) P-C4' energy: -107.421 flat angles C4'-P-C4' energy: -96.540 flat angles P-C4'-P energy: -41.764 tors. eta vs tors. theta energy: 3.945 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: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2092.062290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.062290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.062290 (E_RNA) where: Base-Base interactions energy: -1439.020 where: short stacking energy: -595.745 Base-Backbone interact. energy: -3.305 local terms energy: -649.737185 where: bonds (distance) C4'-P energy: -133.336 bonds (distance) P-C4' energy: -138.850 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -157.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1913.761454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.761454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.761454 (E_RNA) where: Base-Base interactions energy: -1270.229 where: short stacking energy: -563.223 Base-Backbone interact. energy: -2.031 local terms energy: -641.500615 where: bonds (distance) C4'-P energy: -128.541 bonds (distance) P-C4' energy: -123.837 flat angles C4'-P-C4' energy: -124.813 flat angles P-C4'-P energy: -101.807 tors. eta vs tors. theta energy: -162.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1811.703214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.703214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.703214 (E_RNA) where: Base-Base interactions energy: -1207.351 where: short stacking energy: -502.154 Base-Backbone interact. energy: -1.471 local terms energy: -602.881376 where: bonds (distance) C4'-P energy: -117.510 bonds (distance) P-C4' energy: -134.573 flat angles C4'-P-C4' energy: -124.642 flat angles P-C4'-P energy: -84.440 tors. eta vs tors. theta energy: -141.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1752.485843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.485843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.485843 (E_RNA) where: Base-Base interactions energy: -1199.033 where: short stacking energy: -508.863 Base-Backbone interact. energy: 2.670 local terms energy: -556.122629 where: bonds (distance) C4'-P energy: -108.091 bonds (distance) P-C4' energy: -116.199 flat angles C4'-P-C4' energy: -139.923 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -122.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1539.896403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.896403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.896403 (E_RNA) where: Base-Base interactions energy: -1000.106 where: short stacking energy: -466.458 Base-Backbone interact. energy: 0.210 local terms energy: -539.999978 where: bonds (distance) C4'-P energy: -111.269 bonds (distance) P-C4' energy: -114.650 flat angles C4'-P-C4' energy: -120.955 flat angles P-C4'-P energy: -79.128 tors. eta vs tors. theta energy: -113.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1280.302941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.302941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.302941 (E_RNA) where: Base-Base interactions energy: -778.755 where: short stacking energy: -367.052 Base-Backbone interact. energy: 0.808 local terms energy: -502.356359 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -109.825 flat angles C4'-P-C4' energy: -106.621 flat angles P-C4'-P energy: -89.265 tors. eta vs tors. theta energy: -78.353 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: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1125.567662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.567662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.567662 (E_RNA) where: Base-Base interactions energy: -680.096 where: short stacking energy: -317.844 Base-Backbone interact. energy: -2.405 local terms energy: -443.065927 where: bonds (distance) C4'-P energy: -106.646 bonds (distance) P-C4' energy: -121.000 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -48.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -804.228046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.228046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.228046 (E_RNA) where: Base-Base interactions energy: -400.981 where: short stacking energy: -189.512 Base-Backbone interact. energy: -0.311 local terms energy: -402.935782 where: bonds (distance) C4'-P energy: -119.537 bonds (distance) P-C4' energy: -122.057 flat angles C4'-P-C4' energy: -104.937 flat angles P-C4'-P energy: -54.203 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -677.572274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.572274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.572274 (E_RNA) where: Base-Base interactions energy: -331.411 where: short stacking energy: -188.987 Base-Backbone interact. energy: -1.240 local terms energy: -344.921753 where: bonds (distance) C4'-P energy: -117.741 bonds (distance) P-C4' energy: -99.879 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: 10.600 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: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -628.268858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.268858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.268858 (E_RNA) where: Base-Base interactions energy: -275.018 where: short stacking energy: -153.425 Base-Backbone interact. energy: 2.793 local terms energy: -356.043780 where: bonds (distance) C4'-P energy: -107.956 bonds (distance) P-C4' energy: -108.642 flat angles C4'-P-C4' energy: -96.968 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: 15.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2061.125778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.125778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.125778 (E_RNA) where: Base-Base interactions energy: -1438.819 where: short stacking energy: -594.474 Base-Backbone interact. energy: -0.115 local terms energy: -622.191486 where: bonds (distance) C4'-P energy: -125.303 bonds (distance) P-C4' energy: -111.128 flat angles C4'-P-C4' energy: -135.201 flat angles P-C4'-P energy: -92.436 tors. eta vs tors. theta energy: -158.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1904.944206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.944206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.944206 (E_RNA) where: Base-Base interactions energy: -1267.620 where: short stacking energy: -573.662 Base-Backbone interact. energy: 0.028 local terms energy: -637.351787 where: bonds (distance) C4'-P energy: -127.564 bonds (distance) P-C4' energy: -113.159 flat angles C4'-P-C4' energy: -133.517 flat angles P-C4'-P energy: -92.676 tors. eta vs tors. theta energy: -170.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1870.429390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.429390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.429390 (E_RNA) where: Base-Base interactions energy: -1213.417 where: short stacking energy: -545.461 Base-Backbone interact. energy: -4.762 local terms energy: -652.251079 where: bonds (distance) C4'-P energy: -134.784 bonds (distance) P-C4' energy: -136.008 flat angles C4'-P-C4' energy: -137.065 flat angles P-C4'-P energy: -90.306 tors. eta vs tors. theta energy: -154.089 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: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1759.665576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.665576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.665576 (E_RNA) where: Base-Base interactions energy: -1195.235 where: short stacking energy: -522.235 Base-Backbone interact. energy: 3.156 local terms energy: -567.586753 where: bonds (distance) C4'-P energy: -116.583 bonds (distance) P-C4' energy: -118.437 flat angles C4'-P-C4' energy: -127.693 flat angles P-C4'-P energy: -81.066 tors. eta vs tors. theta energy: -123.807 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: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1520.235905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.235905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.235905 (E_RNA) where: Base-Base interactions energy: -964.004 where: short stacking energy: -461.431 Base-Backbone interact. energy: 0.547 local terms energy: -556.779234 where: bonds (distance) C4'-P energy: -112.050 bonds (distance) P-C4' energy: -118.841 flat angles C4'-P-C4' energy: -115.884 flat angles P-C4'-P energy: -83.529 tors. eta vs tors. theta energy: -126.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1258.201128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.201128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.201128 (E_RNA) where: Base-Base interactions energy: -765.055 where: short stacking energy: -387.568 Base-Backbone interact. energy: 0.231 local terms energy: -493.377553 where: bonds (distance) C4'-P energy: -101.988 bonds (distance) P-C4' energy: -121.240 flat angles C4'-P-C4' energy: -116.224 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -85.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1182.548713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.548713 (E_RNA) where: Base-Base interactions energy: -744.185 where: short stacking energy: -367.164 Base-Backbone interact. energy: -3.170 local terms energy: -435.194086 where: bonds (distance) C4'-P energy: -77.630 bonds (distance) P-C4' energy: -105.530 flat angles C4'-P-C4' energy: -107.247 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -82.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -805.063355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.063355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.063355 (E_RNA) where: Base-Base interactions energy: -410.436 where: short stacking energy: -218.110 Base-Backbone interact. energy: -2.008 local terms energy: -392.620150 where: bonds (distance) C4'-P energy: -111.390 bonds (distance) P-C4' energy: -105.029 flat angles C4'-P-C4' energy: -99.810 flat angles P-C4'-P energy: -64.828 tors. eta vs tors. theta energy: -11.564 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: 67 Temperature: 1.300000 Total energy: -679.003709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.003709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.003709 (E_RNA) where: Base-Base interactions energy: -317.061 where: short stacking energy: -196.285 Base-Backbone interact. energy: -3.142 local terms energy: -358.800571 where: bonds (distance) C4'-P energy: -90.849 bonds (distance) P-C4' energy: -124.106 flat angles C4'-P-C4' energy: -101.240 flat angles P-C4'-P energy: -37.406 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -555.663509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.663509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.663509 (E_RNA) where: Base-Base interactions energy: -224.341 where: short stacking energy: -167.838 Base-Backbone interact. energy: -1.219 local terms energy: -330.104062 where: bonds (distance) C4'-P energy: -105.588 bonds (distance) P-C4' energy: -101.346 flat angles C4'-P-C4' energy: -87.614 flat angles P-C4'-P energy: -57.004 tors. eta vs tors. theta energy: 21.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2090.972866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.972866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.972866 (E_RNA) where: Base-Base interactions energy: -1429.074 where: short stacking energy: -614.005 Base-Backbone interact. energy: -5.322 local terms energy: -656.576734 where: bonds (distance) C4'-P energy: -132.158 bonds (distance) P-C4' energy: -120.922 flat angles C4'-P-C4' energy: -137.861 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -170.505 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: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1913.354312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.354312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.354312 (E_RNA) where: Base-Base interactions energy: -1252.606 where: short stacking energy: -580.816 Base-Backbone interact. energy: -0.802 local terms energy: -659.946731 where: bonds (distance) C4'-P energy: -116.162 bonds (distance) P-C4' energy: -132.508 flat angles C4'-P-C4' energy: -134.884 flat angles P-C4'-P energy: -100.429 tors. eta vs tors. theta energy: -175.964 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: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1817.264840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.264840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.264840 (E_RNA) where: Base-Base interactions energy: -1239.241 where: short stacking energy: -554.391 Base-Backbone interact. energy: -0.496 local terms energy: -577.527774 where: bonds (distance) C4'-P energy: -106.157 bonds (distance) P-C4' energy: -112.865 flat angles C4'-P-C4' energy: -125.356 flat angles P-C4'-P energy: -86.975 tors. eta vs tors. theta energy: -146.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1771.662133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.662133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.662133 (E_RNA) where: Base-Base interactions energy: -1209.986 where: short stacking energy: -526.345 Base-Backbone interact. energy: -0.993 local terms energy: -560.683076 where: bonds (distance) C4'-P energy: -121.627 bonds (distance) P-C4' energy: -94.510 flat angles C4'-P-C4' energy: -117.277 flat angles P-C4'-P energy: -75.837 tors. eta vs tors. theta energy: -151.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1492.215109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.215109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.215109 (E_RNA) where: Base-Base interactions energy: -937.117 where: short stacking energy: -436.087 Base-Backbone interact. energy: -2.439 local terms energy: -552.659360 where: bonds (distance) C4'-P energy: -115.410 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -115.666 flat angles P-C4'-P energy: -82.642 tors. eta vs tors. theta energy: -115.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1293.929271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.929271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.929271 (E_RNA) where: Base-Base interactions energy: -812.184 where: short stacking energy: -403.641 Base-Backbone interact. energy: 0.713 local terms energy: -482.458633 where: bonds (distance) C4'-P energy: -105.653 bonds (distance) P-C4' energy: -99.404 flat angles C4'-P-C4' energy: -120.416 flat angles P-C4'-P energy: -67.351 tors. eta vs tors. theta energy: -89.635 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: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1154.832591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.832591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.832591 (E_RNA) where: Base-Base interactions energy: -738.828 where: short stacking energy: -386.041 Base-Backbone interact. energy: -1.389 local terms energy: -414.616111 where: bonds (distance) C4'-P energy: -87.738 bonds (distance) P-C4' energy: -104.691 flat angles C4'-P-C4' energy: -90.203 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -75.419 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: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -796.935043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.935043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.935043 (E_RNA) where: Base-Base interactions energy: -421.796 where: short stacking energy: -228.335 Base-Backbone interact. energy: 0.567 local terms energy: -375.705935 where: bonds (distance) C4'-P energy: -98.956 bonds (distance) P-C4' energy: -101.390 flat angles C4'-P-C4' energy: -90.718 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: -18.258 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: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -594.124246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.124246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.124246 (E_RNA) where: Base-Base interactions energy: -252.729 where: short stacking energy: -182.246 Base-Backbone interact. energy: 4.072 local terms energy: -345.467596 where: bonds (distance) C4'-P energy: -119.259 bonds (distance) P-C4' energy: -102.593 flat angles C4'-P-C4' energy: -90.424 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: 7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -623.341444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.341444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.341444 (E_RNA) where: Base-Base interactions energy: -294.553 where: short stacking energy: -174.499 Base-Backbone interact. energy: 4.354 local terms energy: -333.143171 where: bonds (distance) C4'-P energy: -106.202 bonds (distance) P-C4' energy: -103.705 flat angles C4'-P-C4' energy: -85.099 flat angles P-C4'-P energy: -54.918 tors. eta vs tors. theta energy: 16.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2077.830138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.830138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.830138 (E_RNA) where: Base-Base interactions energy: -1406.261 where: short stacking energy: -581.776 Base-Backbone interact. energy: -4.805 local terms energy: -666.763521 where: bonds (distance) C4'-P energy: -141.110 bonds (distance) P-C4' energy: -124.016 flat angles C4'-P-C4' energy: -139.453 flat angles P-C4'-P energy: -98.970 tors. eta vs tors. theta energy: -163.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1911.155482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.155482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.155482 (E_RNA) where: Base-Base interactions energy: -1268.864 where: short stacking energy: -578.009 Base-Backbone interact. energy: -3.345 local terms energy: -638.946342 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -110.680 flat angles C4'-P-C4' energy: -140.210 flat angles P-C4'-P energy: -83.374 tors. eta vs tors. theta energy: -170.019 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: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1845.757315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.757315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.757315 (E_RNA) where: Base-Base interactions energy: -1225.559 where: short stacking energy: -515.712 Base-Backbone interact. energy: -3.968 local terms energy: -616.230131 where: bonds (distance) C4'-P energy: -114.699 bonds (distance) P-C4' energy: -122.003 flat angles C4'-P-C4' energy: -131.011 flat angles P-C4'-P energy: -93.901 tors. eta vs tors. theta energy: -154.617 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: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1802.630793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.630793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.630793 (E_RNA) where: Base-Base interactions energy: -1196.081 where: short stacking energy: -487.681 Base-Backbone interact. energy: -5.661 local terms energy: -600.888941 where: bonds (distance) C4'-P energy: -120.449 bonds (distance) P-C4' energy: -113.570 flat angles C4'-P-C4' energy: -129.674 flat angles P-C4'-P energy: -89.990 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: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1540.048296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.048296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.048296 (E_RNA) where: Base-Base interactions energy: -985.507 where: short stacking energy: -452.142 Base-Backbone interact. energy: -3.863 local terms energy: -550.678577 where: bonds (distance) C4'-P energy: -120.285 bonds (distance) P-C4' energy: -120.137 flat angles C4'-P-C4' energy: -120.045 flat angles P-C4'-P energy: -74.765 tors. eta vs tors. theta energy: -115.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1335.548030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.548030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.548030 (E_RNA) where: Base-Base interactions energy: -814.100 where: short stacking energy: -377.713 Base-Backbone interact. energy: -2.195 local terms energy: -519.252237 where: bonds (distance) C4'-P energy: -109.251 bonds (distance) P-C4' energy: -128.545 flat angles C4'-P-C4' energy: -134.398 flat angles P-C4'-P energy: -65.657 tors. eta vs tors. theta energy: -81.401 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1107.513675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.513675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.513675 (E_RNA) where: Base-Base interactions energy: -694.195 where: short stacking energy: -347.153 Base-Backbone interact. energy: -2.306 local terms energy: -411.013646 where: bonds (distance) C4'-P energy: -94.107 bonds (distance) P-C4' energy: -98.200 flat angles C4'-P-C4' energy: -105.829 flat angles P-C4'-P energy: -57.334 tors. eta vs tors. theta energy: -55.543 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: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -765.310220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.310220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.310220 (E_RNA) where: Base-Base interactions energy: -394.335 where: short stacking energy: -240.694 Base-Backbone interact. energy: 0.219 local terms energy: -371.194400 where: bonds (distance) C4'-P energy: -96.303 bonds (distance) P-C4' energy: -111.146 flat angles C4'-P-C4' energy: -87.959 flat angles P-C4'-P energy: -54.084 tors. eta vs tors. theta energy: -21.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -615.156852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.156852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.156852 (E_RNA) where: Base-Base interactions energy: -267.567 where: short stacking energy: -181.970 Base-Backbone interact. energy: 2.216 local terms energy: -349.805661 where: bonds (distance) C4'-P energy: -94.563 bonds (distance) P-C4' energy: -100.166 flat angles C4'-P-C4' energy: -90.089 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: 2.104 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: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -634.690554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.690554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.690554 (E_RNA) where: Base-Base interactions energy: -307.820 where: short stacking energy: -203.522 Base-Backbone interact. energy: 0.794 local terms energy: -327.664407 where: bonds (distance) C4'-P energy: -80.288 bonds (distance) P-C4' energy: -107.937 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: 9.559 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: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2104.101900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.101900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.101900 (E_RNA) where: Base-Base interactions energy: -1441.569 where: short stacking energy: -591.187 Base-Backbone interact. energy: -3.442 local terms energy: -659.090503 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -124.772 flat angles C4'-P-C4' energy: -135.108 flat angles P-C4'-P energy: -107.704 tors. eta vs tors. theta energy: -158.453 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: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1909.719372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.719372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.719372 (E_RNA) where: Base-Base interactions energy: -1281.100 where: short stacking energy: -561.392 Base-Backbone interact. energy: 0.929 local terms energy: -629.549278 where: bonds (distance) C4'-P energy: -118.429 bonds (distance) P-C4' energy: -123.925 flat angles C4'-P-C4' energy: -128.731 flat angles P-C4'-P energy: -84.911 tors. eta vs tors. theta energy: -173.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1896.953363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.953363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.953363 (E_RNA) where: Base-Base interactions energy: -1289.664 where: short stacking energy: -540.829 Base-Backbone interact. energy: -2.961 local terms energy: -604.328418 where: bonds (distance) C4'-P energy: -117.385 bonds (distance) P-C4' energy: -128.879 flat angles C4'-P-C4' energy: -119.305 flat angles P-C4'-P energy: -84.979 tors. eta vs tors. theta energy: -153.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1803.772148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.772148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.772148 (E_RNA) where: Base-Base interactions energy: -1212.428 where: short stacking energy: -509.117 Base-Backbone interact. energy: -4.068 local terms energy: -587.275797 where: bonds (distance) C4'-P energy: -108.246 bonds (distance) P-C4' energy: -124.937 flat angles C4'-P-C4' energy: -132.269 flat angles P-C4'-P energy: -86.935 tors. eta vs tors. theta energy: -134.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1537.223591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.223591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.223591 (E_RNA) where: Base-Base interactions energy: -999.808 where: short stacking energy: -441.915 Base-Backbone interact. energy: 1.467 local terms energy: -538.883369 where: bonds (distance) C4'-P energy: -115.634 bonds (distance) P-C4' energy: -125.929 flat angles C4'-P-C4' energy: -125.554 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -106.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1319.553925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.553925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.553925 (E_RNA) where: Base-Base interactions energy: -828.585 where: short stacking energy: -407.676 Base-Backbone interact. energy: 4.192 local terms energy: -495.160998 where: bonds (distance) C4'-P energy: -116.187 bonds (distance) P-C4' energy: -107.405 flat angles C4'-P-C4' energy: -106.605 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: -86.935 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1058.568358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.568358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.568358 (E_RNA) where: Base-Base interactions energy: -594.755 where: short stacking energy: -290.381 Base-Backbone interact. energy: 0.337 local terms energy: -464.151309 where: bonds (distance) C4'-P energy: -120.105 bonds (distance) P-C4' energy: -125.935 flat angles C4'-P-C4' energy: -118.243 flat angles P-C4'-P energy: -55.530 tors. eta vs tors. theta energy: -44.337 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: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -757.585191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.585191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.585191 (E_RNA) where: Base-Base interactions energy: -355.865 where: short stacking energy: -218.515 Base-Backbone interact. energy: -2.464 local terms energy: -399.256452 where: bonds (distance) C4'-P energy: -101.248 bonds (distance) P-C4' energy: -125.214 flat angles C4'-P-C4' energy: -98.614 flat angles P-C4'-P energy: -63.157 tors. eta vs tors. theta energy: -11.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -606.678511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.678511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.678511 (E_RNA) where: Base-Base interactions energy: -275.278 where: short stacking energy: -187.143 Base-Backbone interact. energy: 0.885 local terms energy: -332.284751 where: bonds (distance) C4'-P energy: -79.020 bonds (distance) P-C4' energy: -110.024 flat angles C4'-P-C4' energy: -91.280 flat angles P-C4'-P energy: -56.946 tors. eta vs tors. theta energy: 4.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -653.892930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.892930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.892930 (E_RNA) where: Base-Base interactions energy: -315.481 where: short stacking energy: -187.371 Base-Backbone interact. energy: 0.523 local terms energy: -338.934368 where: bonds (distance) C4'-P energy: -96.501 bonds (distance) P-C4' energy: -97.062 flat angles C4'-P-C4' energy: -95.271 flat angles P-C4'-P energy: -52.785 tors. eta vs tors. theta energy: 2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2126.046643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.046643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.046643 (E_RNA) where: Base-Base interactions energy: -1483.998 where: short stacking energy: -604.408 Base-Backbone interact. energy: -1.597 local terms energy: -640.450967 where: bonds (distance) C4'-P energy: -124.373 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -85.689 tors. eta vs tors. theta energy: -171.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1928.475692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.475692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.475692 (E_RNA) where: Base-Base interactions energy: -1286.869 where: short stacking energy: -569.153 Base-Backbone interact. energy: -3.082 local terms energy: -638.525156 where: bonds (distance) C4'-P energy: -124.027 bonds (distance) P-C4' energy: -123.245 flat angles C4'-P-C4' energy: -137.506 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -161.122 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: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1824.506527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.506527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.506527 (E_RNA) where: Base-Base interactions energy: -1200.649 where: short stacking energy: -559.154 Base-Backbone interact. energy: -2.655 local terms energy: -621.202535 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -115.965 flat angles C4'-P-C4' energy: -132.054 flat angles P-C4'-P energy: -82.010 tors. eta vs tors. theta energy: -166.174 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: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1804.680843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.680843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.680843 (E_RNA) where: Base-Base interactions energy: -1230.464 where: short stacking energy: -533.269 Base-Backbone interact. energy: -0.027 local terms energy: -574.189700 where: bonds (distance) C4'-P energy: -100.740 bonds (distance) P-C4' energy: -108.019 flat angles C4'-P-C4' energy: -127.940 flat angles P-C4'-P energy: -87.581 tors. eta vs tors. theta energy: -149.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1547.442403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.442403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.442403 (E_RNA) where: Base-Base interactions energy: -986.203 where: short stacking energy: -448.185 Base-Backbone interact. energy: 5.101 local terms energy: -566.340513 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -121.390 flat angles C4'-P-C4' energy: -124.500 flat angles P-C4'-P energy: -90.560 tors. eta vs tors. theta energy: -107.637 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: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1333.074860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.074860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.074860 (E_RNA) where: Base-Base interactions energy: -835.275 where: short stacking energy: -394.369 Base-Backbone interact. energy: 0.006 local terms energy: -497.805620 where: bonds (distance) C4'-P energy: -101.347 bonds (distance) P-C4' energy: -110.746 flat angles C4'-P-C4' energy: -114.617 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -83.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1154.179317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.179317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.179317 (E_RNA) where: Base-Base interactions energy: -671.287 where: short stacking energy: -333.452 Base-Backbone interact. energy: 1.058 local terms energy: -483.950283 where: bonds (distance) C4'-P energy: -97.466 bonds (distance) P-C4' energy: -124.543 flat angles C4'-P-C4' energy: -123.327 flat angles P-C4'-P energy: -68.392 tors. eta vs tors. theta energy: -70.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -754.295022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.295022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.295022 (E_RNA) where: Base-Base interactions energy: -369.665 where: short stacking energy: -224.003 Base-Backbone interact. energy: 5.360 local terms energy: -389.989275 where: bonds (distance) C4'-P energy: -98.535 bonds (distance) P-C4' energy: -120.820 flat angles C4'-P-C4' energy: -101.970 flat angles P-C4'-P energy: -65.330 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -617.683369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.683369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.683369 (E_RNA) where: Base-Base interactions energy: -270.442 where: short stacking energy: -169.722 Base-Backbone interact. energy: 4.264 local terms energy: -351.504550 where: bonds (distance) C4'-P energy: -96.310 bonds (distance) P-C4' energy: -120.193 flat angles C4'-P-C4' energy: -90.638 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: 9.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -660.039649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.039649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.039649 (E_RNA) where: Base-Base interactions energy: -328.523 where: short stacking energy: -183.347 Base-Backbone interact. energy: -0.912 local terms energy: -330.604493 where: bonds (distance) C4'-P energy: -97.080 bonds (distance) P-C4' energy: -91.364 flat angles C4'-P-C4' energy: -89.504 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -0.247 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: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2111.733668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.733668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.733668 (E_RNA) where: Base-Base interactions energy: -1471.386 where: short stacking energy: -620.271 Base-Backbone interact. energy: 0.398 local terms energy: -640.745013 where: bonds (distance) C4'-P energy: -122.748 bonds (distance) P-C4' energy: -129.548 flat angles C4'-P-C4' energy: -133.536 flat angles P-C4'-P energy: -90.698 tors. eta vs tors. theta energy: -164.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1934.955007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.955007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.955007 (E_RNA) where: Base-Base interactions energy: -1311.276 where: short stacking energy: -585.818 Base-Backbone interact. energy: -3.771 local terms energy: -619.908852 where: bonds (distance) C4'-P energy: -107.543 bonds (distance) P-C4' energy: -128.486 flat angles C4'-P-C4' energy: -143.935 flat angles P-C4'-P energy: -89.014 tors. eta vs tors. theta energy: -150.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1821.046434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.046434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.046434 (E_RNA) where: Base-Base interactions energy: -1221.693 where: short stacking energy: -552.566 Base-Backbone interact. energy: -1.841 local terms energy: -597.512449 where: bonds (distance) C4'-P energy: -123.323 bonds (distance) P-C4' energy: -114.047 flat angles C4'-P-C4' energy: -128.488 flat angles P-C4'-P energy: -77.346 tors. eta vs tors. theta energy: -154.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1826.224800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.224800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.224800 (E_RNA) where: Base-Base interactions energy: -1253.724 where: short stacking energy: -493.745 Base-Backbone interact. energy: 2.034 local terms energy: -574.534556 where: bonds (distance) C4'-P energy: -108.981 bonds (distance) P-C4' energy: -114.397 flat angles C4'-P-C4' energy: -119.378 flat angles P-C4'-P energy: -98.700 tors. eta vs tors. theta energy: -133.079 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: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1545.173441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.173441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.173441 (E_RNA) where: Base-Base interactions energy: -1009.336 where: short stacking energy: -451.112 Base-Backbone interact. energy: -0.589 local terms energy: -535.248987 where: bonds (distance) C4'-P energy: -105.774 bonds (distance) P-C4' energy: -107.428 flat angles C4'-P-C4' energy: -142.340 flat angles P-C4'-P energy: -80.283 tors. eta vs tors. theta energy: -99.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1367.546439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.546439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.546439 (E_RNA) where: Base-Base interactions energy: -890.165 where: short stacking energy: -402.440 Base-Backbone interact. energy: -1.287 local terms energy: -476.095039 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -88.120 flat angles C4'-P-C4' energy: -112.153 flat angles P-C4'-P energy: -81.119 tors. eta vs tors. theta energy: -83.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1087.523519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.523519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.523519 (E_RNA) where: Base-Base interactions energy: -650.692 where: short stacking energy: -308.940 Base-Backbone interact. energy: -3.131 local terms energy: -433.700866 where: bonds (distance) C4'-P energy: -107.877 bonds (distance) P-C4' energy: -108.822 flat angles C4'-P-C4' energy: -102.591 flat angles P-C4'-P energy: -69.389 tors. eta vs tors. theta energy: -45.022 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: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -821.217299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.217299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.217299 (E_RNA) where: Base-Base interactions energy: -423.640 where: short stacking energy: -241.531 Base-Backbone interact. energy: 0.639 local terms energy: -398.215845 where: bonds (distance) C4'-P energy: -109.811 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -108.354 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -14.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -713.830251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.830251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.830251 (E_RNA) where: Base-Base interactions energy: -330.293 where: short stacking energy: -201.858 Base-Backbone interact. energy: 1.233 local terms energy: -384.770407 where: bonds (distance) C4'-P energy: -109.647 bonds (distance) P-C4' energy: -106.848 flat angles C4'-P-C4' energy: -92.861 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: -27.842 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: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -614.280106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.280106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.280106 (E_RNA) where: Base-Base interactions energy: -294.400 where: short stacking energy: -184.829 Base-Backbone interact. energy: 2.583 local terms energy: -322.463231 where: bonds (distance) C4'-P energy: -98.674 bonds (distance) P-C4' energy: -102.763 flat angles C4'-P-C4' energy: -84.265 flat angles P-C4'-P energy: -55.275 tors. eta vs tors. theta energy: 18.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2133.389212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.389212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.389212 (E_RNA) where: Base-Base interactions energy: -1456.861 where: short stacking energy: -626.974 Base-Backbone interact. energy: 0.275 local terms energy: -676.802630 where: bonds (distance) C4'-P energy: -134.854 bonds (distance) P-C4' energy: -130.132 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -99.490 tors. eta vs tors. theta energy: -177.847 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: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1918.327372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.327372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.327372 (E_RNA) where: Base-Base interactions energy: -1298.446 where: short stacking energy: -579.745 Base-Backbone interact. energy: -2.256 local terms energy: -617.625205 where: bonds (distance) C4'-P energy: -131.099 bonds (distance) P-C4' energy: -124.321 flat angles C4'-P-C4' energy: -120.446 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -153.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1777.746777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.746777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.746777 (E_RNA) where: Base-Base interactions energy: -1163.585 where: short stacking energy: -546.449 Base-Backbone interact. energy: -2.257 local terms energy: -611.904860 where: bonds (distance) C4'-P energy: -119.594 bonds (distance) P-C4' energy: -126.900 flat angles C4'-P-C4' energy: -132.568 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -158.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1786.788949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.788949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.788949 (E_RNA) where: Base-Base interactions energy: -1211.415 where: short stacking energy: -498.421 Base-Backbone interact. energy: -8.124 local terms energy: -567.250413 where: bonds (distance) C4'-P energy: -103.131 bonds (distance) P-C4' energy: -108.828 flat angles C4'-P-C4' energy: -129.634 flat angles P-C4'-P energy: -88.621 tors. eta vs tors. theta energy: -137.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1593.327384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.327384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.327384 (E_RNA) where: Base-Base interactions energy: -1027.014 where: short stacking energy: -455.623 Base-Backbone interact. energy: 0.694 local terms energy: -567.007455 where: bonds (distance) C4'-P energy: -130.496 bonds (distance) P-C4' energy: -114.504 flat angles C4'-P-C4' energy: -121.742 flat angles P-C4'-P energy: -83.669 tors. eta vs tors. theta energy: -116.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1391.725752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.725752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.725752 (E_RNA) where: Base-Base interactions energy: -891.256 where: short stacking energy: -414.973 Base-Backbone interact. energy: 0.023 local terms energy: -500.492636 where: bonds (distance) C4'-P energy: -102.277 bonds (distance) P-C4' energy: -125.379 flat angles C4'-P-C4' energy: -97.821 flat angles P-C4'-P energy: -74.880 tors. eta vs tors. theta energy: -100.136 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: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1125.583032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.583032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.583032 (E_RNA) where: Base-Base interactions energy: -656.198 where: short stacking energy: -328.696 Base-Backbone interact. energy: -0.898 local terms energy: -468.487346 where: bonds (distance) C4'-P energy: -104.866 bonds (distance) P-C4' energy: -116.243 flat angles C4'-P-C4' energy: -108.139 flat angles P-C4'-P energy: -77.265 tors. eta vs tors. theta energy: -61.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -783.573182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.573182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.573182 (E_RNA) where: Base-Base interactions energy: -406.111 where: short stacking energy: -248.438 Base-Backbone interact. energy: -0.927 local terms energy: -376.534984 where: bonds (distance) C4'-P energy: -111.029 bonds (distance) P-C4' energy: -111.600 flat angles C4'-P-C4' energy: -101.670 flat angles P-C4'-P energy: -41.149 tors. eta vs tors. theta energy: -11.088 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: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -719.189838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.189838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.189838 (E_RNA) where: Base-Base interactions energy: -338.283 where: short stacking energy: -200.894 Base-Backbone interact. energy: -0.632 local terms energy: -380.274655 where: bonds (distance) C4'-P energy: -102.895 bonds (distance) P-C4' energy: -106.049 flat angles C4'-P-C4' energy: -102.215 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -17.119 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: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -597.446867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.446867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.446867 (E_RNA) where: Base-Base interactions energy: -242.590 where: short stacking energy: -180.174 Base-Backbone interact. energy: -0.056 local terms energy: -354.801595 where: bonds (distance) C4'-P energy: -102.095 bonds (distance) P-C4' energy: -112.409 flat angles C4'-P-C4' energy: -89.462 flat angles P-C4'-P energy: -57.832 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: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2121.292572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.292572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.292572 (E_RNA) where: Base-Base interactions energy: -1457.559 where: short stacking energy: -574.853 Base-Backbone interact. energy: -4.358 local terms energy: -659.375423 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -140.663 flat angles P-C4'-P energy: -97.960 tors. eta vs tors. theta energy: -167.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1874.008149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.008149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.008149 (E_RNA) where: Base-Base interactions energy: -1260.979 where: short stacking energy: -573.684 Base-Backbone interact. energy: -0.750 local terms energy: -612.278978 where: bonds (distance) C4'-P energy: -122.706 bonds (distance) P-C4' energy: -120.243 flat angles C4'-P-C4' energy: -125.241 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -163.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1808.968393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.968393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.968393 (E_RNA) where: Base-Base interactions energy: -1177.281 where: short stacking energy: -562.567 Base-Backbone interact. energy: 3.038 local terms energy: -634.725825 where: bonds (distance) C4'-P energy: -120.136 bonds (distance) P-C4' energy: -118.510 flat angles C4'-P-C4' energy: -152.479 flat angles P-C4'-P energy: -88.527 tors. eta vs tors. theta energy: -155.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1864.598339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.598339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.598339 (E_RNA) where: Base-Base interactions energy: -1278.808 where: short stacking energy: -520.124 Base-Backbone interact. energy: -3.850 local terms energy: -581.939510 where: bonds (distance) C4'-P energy: -110.956 bonds (distance) P-C4' energy: -112.540 flat angles C4'-P-C4' energy: -122.776 flat angles P-C4'-P energy: -77.515 tors. eta vs tors. theta energy: -158.152 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: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1592.133301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.133301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.133301 (E_RNA) where: Base-Base interactions energy: -1041.109 where: short stacking energy: -476.867 Base-Backbone interact. energy: -2.801 local terms energy: -548.223433 where: bonds (distance) C4'-P energy: -129.671 bonds (distance) P-C4' energy: -95.614 flat angles C4'-P-C4' energy: -116.221 flat angles P-C4'-P energy: -78.372 tors. eta vs tors. theta energy: -128.345 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: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1413.974415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.974415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.974415 (E_RNA) where: Base-Base interactions energy: -894.654 where: short stacking energy: -427.031 Base-Backbone interact. energy: -0.347 local terms energy: -518.972885 where: bonds (distance) C4'-P energy: -108.983 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -116.335 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -106.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1119.795362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.795362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.795362 (E_RNA) where: Base-Base interactions energy: -661.726 where: short stacking energy: -348.891 Base-Backbone interact. energy: 3.553 local terms energy: -461.621658 where: bonds (distance) C4'-P energy: -104.182 bonds (distance) P-C4' energy: -104.923 flat angles C4'-P-C4' energy: -118.206 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -72.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -756.987695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.987695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.987695 (E_RNA) where: Base-Base interactions energy: -385.281 where: short stacking energy: -232.471 Base-Backbone interact. energy: -2.528 local terms energy: -369.178229 where: bonds (distance) C4'-P energy: -106.995 bonds (distance) P-C4' energy: -107.399 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -741.345238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.345238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.345238 (E_RNA) where: Base-Base interactions energy: -383.285 where: short stacking energy: -229.406 Base-Backbone interact. energy: 1.774 local terms energy: -359.835076 where: bonds (distance) C4'-P energy: -97.091 bonds (distance) P-C4' energy: -103.317 flat angles C4'-P-C4' energy: -90.518 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: -16.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -573.352220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.352220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.352220 (E_RNA) where: Base-Base interactions energy: -238.597 where: short stacking energy: -131.064 Base-Backbone interact. energy: 1.136 local terms energy: -335.891504 where: bonds (distance) C4'-P energy: -88.958 bonds (distance) P-C4' energy: -106.897 flat angles C4'-P-C4' energy: -103.067 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: 18.789 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: 75 Temperature: 0.900000 Total energy: -2116.794982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.794982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.794982 (E_RNA) where: Base-Base interactions energy: -1479.795 where: short stacking energy: -632.775 Base-Backbone interact. energy: -2.612 local terms energy: -634.387675 where: bonds (distance) C4'-P energy: -105.416 bonds (distance) P-C4' energy: -121.348 flat angles C4'-P-C4' energy: -135.638 flat angles P-C4'-P energy: -91.266 tors. eta vs tors. theta energy: -180.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1920.789626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.789626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.789626 (E_RNA) where: Base-Base interactions energy: -1289.602 where: short stacking energy: -546.815 Base-Backbone interact. energy: -0.525 local terms energy: -630.662623 where: bonds (distance) C4'-P energy: -123.608 bonds (distance) P-C4' energy: -120.521 flat angles C4'-P-C4' energy: -138.206 flat angles P-C4'-P energy: -91.699 tors. eta vs tors. theta energy: -156.629 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: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1781.265204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.265204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.265204 (E_RNA) where: Base-Base interactions energy: -1181.015 where: short stacking energy: -561.594 Base-Backbone interact. energy: -0.911 local terms energy: -599.338322 where: bonds (distance) C4'-P energy: -115.621 bonds (distance) P-C4' energy: -135.044 flat angles C4'-P-C4' energy: -127.921 flat angles P-C4'-P energy: -68.208 tors. eta vs tors. theta energy: -152.545 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: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1877.609708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.609708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.609708 (E_RNA) where: Base-Base interactions energy: -1254.032 where: short stacking energy: -538.188 Base-Backbone interact. energy: -3.009 local terms energy: -620.568581 where: bonds (distance) C4'-P energy: -121.027 bonds (distance) P-C4' energy: -111.006 flat angles C4'-P-C4' energy: -140.201 flat angles P-C4'-P energy: -90.285 tors. eta vs tors. theta energy: -158.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1609.130340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.130340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.130340 (E_RNA) where: Base-Base interactions energy: -1083.342 where: short stacking energy: -450.519 Base-Backbone interact. energy: -5.685 local terms energy: -520.102933 where: bonds (distance) C4'-P energy: -109.557 bonds (distance) P-C4' energy: -109.955 flat angles C4'-P-C4' energy: -130.817 flat angles P-C4'-P energy: -63.565 tors. eta vs tors. theta energy: -106.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1378.375554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.375554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.375554 (E_RNA) where: Base-Base interactions energy: -879.836 where: short stacking energy: -414.489 Base-Backbone interact. energy: -3.016 local terms energy: -495.523962 where: bonds (distance) C4'-P energy: -101.927 bonds (distance) P-C4' energy: -106.768 flat angles C4'-P-C4' energy: -108.829 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: -97.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1108.571676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.571676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.571676 (E_RNA) where: Base-Base interactions energy: -657.374 where: short stacking energy: -337.755 Base-Backbone interact. energy: -1.789 local terms energy: -449.408056 where: bonds (distance) C4'-P energy: -95.540 bonds (distance) P-C4' energy: -123.338 flat angles C4'-P-C4' energy: -95.500 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: -59.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -768.453567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.453567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.453567 (E_RNA) where: Base-Base interactions energy: -386.209 where: short stacking energy: -249.747 Base-Backbone interact. energy: 1.455 local terms energy: -383.700291 where: bonds (distance) C4'-P energy: -109.870 bonds (distance) P-C4' energy: -118.341 flat angles C4'-P-C4' energy: -85.677 flat angles P-C4'-P energy: -53.245 tors. eta vs tors. theta energy: -16.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -667.826815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.826815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.826815 (E_RNA) where: Base-Base interactions energy: -307.788 where: short stacking energy: -181.471 Base-Backbone interact. energy: 1.188 local terms energy: -361.227124 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -111.208 flat angles C4'-P-C4' energy: -91.340 flat angles P-C4'-P energy: -55.684 tors. eta vs tors. theta energy: -10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -504.459152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.459152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.459152 (E_RNA) where: Base-Base interactions energy: -214.526 where: short stacking energy: -143.704 Base-Backbone interact. energy: 1.015 local terms energy: -290.947843 where: bonds (distance) C4'-P energy: -105.282 bonds (distance) P-C4' energy: -93.257 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -37.154 tors. eta vs tors. theta energy: 15.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2108.165562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.165562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.165562 (E_RNA) where: Base-Base interactions energy: -1456.879 where: short stacking energy: -621.459 Base-Backbone interact. energy: -1.272 local terms energy: -650.014241 where: bonds (distance) C4'-P energy: -132.834 bonds (distance) P-C4' energy: -131.755 flat angles C4'-P-C4' energy: -131.669 flat angles P-C4'-P energy: -91.590 tors. eta vs tors. theta energy: -162.166 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: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1922.781623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.781623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.781623 (E_RNA) where: Base-Base interactions energy: -1286.066 where: short stacking energy: -588.187 Base-Backbone interact. energy: -2.473 local terms energy: -634.243063 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -127.469 flat angles C4'-P-C4' energy: -144.356 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -175.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1902.043738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.043738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.043738 (E_RNA) where: Base-Base interactions energy: -1281.808 where: short stacking energy: -561.859 Base-Backbone interact. energy: -5.847 local terms energy: -614.389138 where: bonds (distance) C4'-P energy: -112.240 bonds (distance) P-C4' energy: -114.902 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -162.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1722.469288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.469288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.469288 (E_RNA) where: Base-Base interactions energy: -1157.216 where: short stacking energy: -531.936 Base-Backbone interact. energy: 0.245 local terms energy: -565.498151 where: bonds (distance) C4'-P energy: -95.977 bonds (distance) P-C4' energy: -122.012 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -69.909 tors. eta vs tors. theta energy: -142.979 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: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1640.367008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.367008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.367008 (E_RNA) where: Base-Base interactions energy: -1066.673 where: short stacking energy: -445.149 Base-Backbone interact. energy: -0.479 local terms energy: -573.214784 where: bonds (distance) C4'-P energy: -118.590 bonds (distance) P-C4' energy: -115.640 flat angles C4'-P-C4' energy: -135.822 flat angles P-C4'-P energy: -84.101 tors. eta vs tors. theta energy: -119.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1401.683162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.683162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.683162 (E_RNA) where: Base-Base interactions energy: -909.575 where: short stacking energy: -436.357 Base-Backbone interact. energy: -1.330 local terms energy: -490.778545 where: bonds (distance) C4'-P energy: -103.645 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -131.001 flat angles P-C4'-P energy: -65.723 tors. eta vs tors. theta energy: -101.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1149.601266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.601266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.601266 (E_RNA) where: Base-Base interactions energy: -704.796 where: short stacking energy: -362.557 Base-Backbone interact. energy: -1.214 local terms energy: -443.590702 where: bonds (distance) C4'-P energy: -107.236 bonds (distance) P-C4' energy: -104.531 flat angles C4'-P-C4' energy: -102.506 flat angles P-C4'-P energy: -65.435 tors. eta vs tors. theta energy: -63.883 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: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -763.715058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.715058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.715058 (E_RNA) where: Base-Base interactions energy: -375.311 where: short stacking energy: -211.845 Base-Backbone interact. energy: -1.823 local terms energy: -386.580941 where: bonds (distance) C4'-P energy: -94.721 bonds (distance) P-C4' energy: -110.805 flat angles C4'-P-C4' energy: -110.857 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -563.401207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.401207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.401207 (E_RNA) where: Base-Base interactions energy: -205.205 where: short stacking energy: -156.864 Base-Backbone interact. energy: -0.072 local terms energy: -358.124177 where: bonds (distance) C4'-P energy: -111.009 bonds (distance) P-C4' energy: -98.912 flat angles C4'-P-C4' energy: -86.763 flat angles P-C4'-P energy: -63.349 tors. eta vs tors. theta energy: 1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -553.492574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.492574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.492574 (E_RNA) where: Base-Base interactions energy: -248.922 where: short stacking energy: -149.721 Base-Backbone interact. energy: -3.639 local terms energy: -300.931527 where: bonds (distance) C4'-P energy: -90.796 bonds (distance) P-C4' energy: -107.711 flat angles C4'-P-C4' energy: -72.717 flat angles P-C4'-P energy: -40.167 tors. eta vs tors. theta energy: 10.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2101.904404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.904404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.904404 (E_RNA) where: Base-Base interactions energy: -1455.476 where: short stacking energy: -613.900 Base-Backbone interact. energy: -3.521 local terms energy: -642.907755 where: bonds (distance) C4'-P energy: -132.750 bonds (distance) P-C4' energy: -129.369 flat angles C4'-P-C4' energy: -129.728 flat angles P-C4'-P energy: -91.029 tors. eta vs tors. theta energy: -160.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1966.348117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.348117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.348117 (E_RNA) where: Base-Base interactions energy: -1333.517 where: short stacking energy: -577.910 Base-Backbone interact. energy: -3.202 local terms energy: -629.629040 where: bonds (distance) C4'-P energy: -111.648 bonds (distance) P-C4' energy: -117.584 flat angles C4'-P-C4' energy: -131.513 flat angles P-C4'-P energy: -106.971 tors. eta vs tors. theta energy: -161.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1818.356381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.356381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.356381 (E_RNA) where: Base-Base interactions energy: -1249.167 where: short stacking energy: -529.890 Base-Backbone interact. energy: -2.537 local terms energy: -566.652280 where: bonds (distance) C4'-P energy: -120.921 bonds (distance) P-C4' energy: -121.546 flat angles C4'-P-C4' energy: -120.433 flat angles P-C4'-P energy: -68.020 tors. eta vs tors. theta energy: -135.733 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: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1702.005773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.005773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.005773 (E_RNA) where: Base-Base interactions energy: -1152.407 where: short stacking energy: -514.939 Base-Backbone interact. energy: -2.954 local terms energy: -546.644334 where: bonds (distance) C4'-P energy: -110.943 bonds (distance) P-C4' energy: -100.132 flat angles C4'-P-C4' energy: -130.840 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -131.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1661.380898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.380898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.380898 (E_RNA) where: Base-Base interactions energy: -1101.978 where: short stacking energy: -487.302 Base-Backbone interact. energy: -1.384 local terms energy: -558.018555 where: bonds (distance) C4'-P energy: -109.445 bonds (distance) P-C4' energy: -111.135 flat angles C4'-P-C4' energy: -121.182 flat angles P-C4'-P energy: -81.112 tors. eta vs tors. theta energy: -135.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1454.151922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.151922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.151922 (E_RNA) where: Base-Base interactions energy: -919.753 where: short stacking energy: -418.042 Base-Backbone interact. energy: -0.268 local terms energy: -534.130250 where: bonds (distance) C4'-P energy: -113.105 bonds (distance) P-C4' energy: -132.583 flat angles C4'-P-C4' energy: -107.156 flat angles P-C4'-P energy: -75.127 tors. eta vs tors. theta energy: -106.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1103.042828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.042828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.042828 (E_RNA) where: Base-Base interactions energy: -657.731 where: short stacking energy: -338.674 Base-Backbone interact. energy: -3.144 local terms energy: -442.167681 where: bonds (distance) C4'-P energy: -113.098 bonds (distance) P-C4' energy: -102.228 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -69.282 tors. eta vs tors. theta energy: -63.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -804.059432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.059432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.059432 (E_RNA) where: Base-Base interactions energy: -417.229 where: short stacking energy: -234.896 Base-Backbone interact. energy: -0.232 local terms energy: -386.597954 where: bonds (distance) C4'-P energy: -100.860 bonds (distance) P-C4' energy: -106.832 flat angles C4'-P-C4' energy: -95.519 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -22.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -565.606424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.606424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.606424 (E_RNA) where: Base-Base interactions energy: -207.541 where: short stacking energy: -142.651 Base-Backbone interact. energy: 1.991 local terms energy: -360.056715 where: bonds (distance) C4'-P energy: -96.776 bonds (distance) P-C4' energy: -125.997 flat angles C4'-P-C4' energy: -93.957 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: 23.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -576.370575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.370575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.370575 (E_RNA) where: Base-Base interactions energy: -237.023 where: short stacking energy: -162.469 Base-Backbone interact. energy: 0.169 local terms energy: -339.515914 where: bonds (distance) C4'-P energy: -120.580 bonds (distance) P-C4' energy: -102.555 flat angles C4'-P-C4' energy: -77.147 flat angles P-C4'-P energy: -53.179 tors. eta vs tors. theta energy: 13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2092.162644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.162644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.162644 (E_RNA) where: Base-Base interactions energy: -1432.847 where: short stacking energy: -625.255 Base-Backbone interact. energy: 0.135 local terms energy: -659.449923 where: bonds (distance) C4'-P energy: -134.928 bonds (distance) P-C4' energy: -122.813 flat angles C4'-P-C4' energy: -146.140 flat angles P-C4'-P energy: -83.635 tors. eta vs tors. theta energy: -171.934 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: 78 Temperature: 0.950000 Total energy: -1992.110562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.110562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.110562 (E_RNA) where: Base-Base interactions energy: -1339.903 where: short stacking energy: -579.144 Base-Backbone interact. energy: -0.392 local terms energy: -651.815853 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -127.254 flat angles C4'-P-C4' energy: -137.750 flat angles P-C4'-P energy: -93.574 tors. eta vs tors. theta energy: -167.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1821.060355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.060355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.060355 (E_RNA) where: Base-Base interactions energy: -1238.764 where: short stacking energy: -556.909 Base-Backbone interact. energy: -2.751 local terms energy: -579.544870 where: bonds (distance) C4'-P energy: -98.079 bonds (distance) P-C4' energy: -106.852 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -94.966 tors. eta vs tors. theta energy: -144.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1682.970151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.970151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.970151 (E_RNA) where: Base-Base interactions energy: -1101.820 where: short stacking energy: -486.186 Base-Backbone interact. energy: -2.187 local terms energy: -578.963406 where: bonds (distance) C4'-P energy: -124.634 bonds (distance) P-C4' energy: -123.323 flat angles C4'-P-C4' energy: -124.988 flat angles P-C4'-P energy: -72.125 tors. eta vs tors. theta energy: -133.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1606.135502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.135502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.135502 (E_RNA) where: Base-Base interactions energy: -1073.366 where: short stacking energy: -483.520 Base-Backbone interact. energy: 3.760 local terms energy: -536.529244 where: bonds (distance) C4'-P energy: -102.427 bonds (distance) P-C4' energy: -116.808 flat angles C4'-P-C4' energy: -122.085 flat angles P-C4'-P energy: -83.233 tors. eta vs tors. theta energy: -111.977 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: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1483.541013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.541013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.541013 (E_RNA) where: Base-Base interactions energy: -928.147 where: short stacking energy: -447.579 Base-Backbone interact. energy: -4.541 local terms energy: -550.852367 where: bonds (distance) C4'-P energy: -118.793 bonds (distance) P-C4' energy: -107.568 flat angles C4'-P-C4' energy: -128.402 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -117.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1126.642040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.642040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.642040 (E_RNA) where: Base-Base interactions energy: -678.146 where: short stacking energy: -344.715 Base-Backbone interact. energy: -2.407 local terms energy: -446.089200 where: bonds (distance) C4'-P energy: -107.620 bonds (distance) P-C4' energy: -94.231 flat angles C4'-P-C4' energy: -103.106 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: -68.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -781.822092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.822092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.822092 (E_RNA) where: Base-Base interactions energy: -393.480 where: short stacking energy: -229.026 Base-Backbone interact. energy: -1.183 local terms energy: -387.159172 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -94.545 flat angles P-C4'-P energy: -49.862 tors. eta vs tors. theta energy: -22.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -569.981552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.981552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.981552 (E_RNA) where: Base-Base interactions energy: -204.733 where: short stacking energy: -166.267 Base-Backbone interact. energy: -1.214 local terms energy: -364.035003 where: bonds (distance) C4'-P energy: -105.073 bonds (distance) P-C4' energy: -102.746 flat angles C4'-P-C4' energy: -89.487 flat angles P-C4'-P energy: -71.687 tors. eta vs tors. theta energy: 4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -551.164096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.164096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.164096 (E_RNA) where: Base-Base interactions energy: -248.317 where: short stacking energy: -186.524 Base-Backbone interact. energy: -1.083 local terms energy: -301.764441 where: bonds (distance) C4'-P energy: -101.036 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -72.590 flat angles P-C4'-P energy: -43.133 tors. eta vs tors. theta energy: 3.794 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2136.836611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.836611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.836611 (E_RNA) where: Base-Base interactions energy: -1476.823 where: short stacking energy: -620.637 Base-Backbone interact. energy: -3.611 local terms energy: -656.401965 where: bonds (distance) C4'-P energy: -129.373 bonds (distance) P-C4' energy: -120.916 flat angles C4'-P-C4' energy: -130.184 flat angles P-C4'-P energy: -98.244 tors. eta vs tors. theta energy: -177.685 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1975.790075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.790075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.790075 (E_RNA) where: Base-Base interactions energy: -1338.284 where: short stacking energy: -583.959 Base-Backbone interact. energy: -2.142 local terms energy: -635.363457 where: bonds (distance) C4'-P energy: -118.517 bonds (distance) P-C4' energy: -128.358 flat angles C4'-P-C4' energy: -133.946 flat angles P-C4'-P energy: -85.193 tors. eta vs tors. theta energy: -169.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1826.522665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.522665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.522665 (E_RNA) where: Base-Base interactions energy: -1228.055 where: short stacking energy: -546.527 Base-Backbone interact. energy: -3.026 local terms energy: -595.441209 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -126.988 flat angles C4'-P-C4' energy: -132.270 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: -141.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1651.677861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.677861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.677861 (E_RNA) where: Base-Base interactions energy: -1102.212 where: short stacking energy: -486.792 Base-Backbone interact. energy: -4.050 local terms energy: -545.415715 where: bonds (distance) C4'-P energy: -109.248 bonds (distance) P-C4' energy: -114.860 flat angles C4'-P-C4' energy: -124.230 flat angles P-C4'-P energy: -80.838 tors. eta vs tors. theta energy: -116.240 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: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1575.602937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.602937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.602937 (E_RNA) where: Base-Base interactions energy: -990.913 where: short stacking energy: -430.605 Base-Backbone interact. energy: -2.335 local terms energy: -582.354983 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -124.299 flat angles C4'-P-C4' energy: -123.727 flat angles P-C4'-P energy: -94.807 tors. eta vs tors. theta energy: -123.397 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: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1492.167911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.167911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.167911 (E_RNA) where: Base-Base interactions energy: -956.354 where: short stacking energy: -459.329 Base-Backbone interact. energy: -0.748 local terms energy: -535.065999 where: bonds (distance) C4'-P energy: -110.190 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -111.435 flat angles P-C4'-P energy: -83.720 tors. eta vs tors. theta energy: -118.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1082.414153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.414153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.414153 (E_RNA) where: Base-Base interactions energy: -627.900 where: short stacking energy: -327.947 Base-Backbone interact. energy: -2.021 local terms energy: -452.492585 where: bonds (distance) C4'-P energy: -86.540 bonds (distance) P-C4' energy: -125.340 flat angles C4'-P-C4' energy: -113.458 flat angles P-C4'-P energy: -66.583 tors. eta vs tors. theta energy: -60.572 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: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -785.099251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.099251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.099251 (E_RNA) where: Base-Base interactions energy: -412.380 where: short stacking energy: -248.369 Base-Backbone interact. energy: 3.203 local terms energy: -375.922530 where: bonds (distance) C4'-P energy: -98.883 bonds (distance) P-C4' energy: -95.277 flat angles C4'-P-C4' energy: -106.362 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -26.954 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: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -553.243767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.243767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.243767 (E_RNA) where: Base-Base interactions energy: -207.699 where: short stacking energy: -175.044 Base-Backbone interact. energy: -1.252 local terms energy: -344.292170 where: bonds (distance) C4'-P energy: -104.758 bonds (distance) P-C4' energy: -110.146 flat angles C4'-P-C4' energy: -81.609 flat angles P-C4'-P energy: -50.874 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: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -603.411139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.411139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.411139 (E_RNA) where: Base-Base interactions energy: -265.622 where: short stacking energy: -158.844 Base-Backbone interact. energy: -0.113 local terms energy: -337.676849 where: bonds (distance) C4'-P energy: -93.353 bonds (distance) P-C4' energy: -111.329 flat angles C4'-P-C4' energy: -79.014 flat angles P-C4'-P energy: -52.462 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2111.410216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.410216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.410216 (E_RNA) where: Base-Base interactions energy: -1471.105 where: short stacking energy: -643.885 Base-Backbone interact. energy: -1.085 local terms energy: -639.220463 where: bonds (distance) C4'-P energy: -129.000 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -140.120 flat angles P-C4'-P energy: -85.680 tors. eta vs tors. theta energy: -167.345 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: 80 Temperature: 0.950000 Total energy: -1985.043539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.043539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.043539 (E_RNA) where: Base-Base interactions energy: -1333.805 where: short stacking energy: -588.041 Base-Backbone interact. energy: -7.892 local terms energy: -643.346255 where: bonds (distance) C4'-P energy: -118.745 bonds (distance) P-C4' energy: -128.804 flat angles C4'-P-C4' energy: -144.307 flat angles P-C4'-P energy: -93.193 tors. eta vs tors. theta energy: -158.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1813.417535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.417535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.417535 (E_RNA) where: Base-Base interactions energy: -1210.364 where: short stacking energy: -524.577 Base-Backbone interact. energy: -2.544 local terms energy: -600.509431 where: bonds (distance) C4'-P energy: -126.031 bonds (distance) P-C4' energy: -119.697 flat angles C4'-P-C4' energy: -134.636 flat angles P-C4'-P energy: -88.699 tors. eta vs tors. theta energy: -131.447 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: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1648.086699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.086699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.086699 (E_RNA) where: Base-Base interactions energy: -1098.538 where: short stacking energy: -517.214 Base-Backbone interact. energy: -3.359 local terms energy: -546.190302 where: bonds (distance) C4'-P energy: -113.682 bonds (distance) P-C4' energy: -111.727 flat angles C4'-P-C4' energy: -128.505 flat angles P-C4'-P energy: -59.376 tors. eta vs tors. theta energy: -132.900 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: 5, replica: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1594.191343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.191343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.191343 (E_RNA) where: Base-Base interactions energy: -1037.956 where: short stacking energy: -442.415 Base-Backbone interact. energy: 1.646 local terms energy: -557.881614 where: bonds (distance) C4'-P energy: -114.534 bonds (distance) P-C4' energy: -112.271 flat angles C4'-P-C4' energy: -139.107 flat angles P-C4'-P energy: -86.291 tors. eta vs tors. theta energy: -105.679 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: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1486.947607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.947607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.947607 (E_RNA) where: Base-Base interactions energy: -963.485 where: short stacking energy: -429.667 Base-Backbone interact. energy: -3.024 local terms energy: -520.437961 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -117.050 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -55.633 tors. eta vs tors. theta energy: -110.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1108.027716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.027716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.027716 (E_RNA) where: Base-Base interactions energy: -656.156 where: short stacking energy: -334.274 Base-Backbone interact. energy: 0.080 local terms energy: -451.951816 where: bonds (distance) C4'-P energy: -104.418 bonds (distance) P-C4' energy: -111.449 flat angles C4'-P-C4' energy: -122.309 flat angles P-C4'-P energy: -60.327 tors. eta vs tors. theta energy: -53.449 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: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -787.042828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.042828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.042828 (E_RNA) where: Base-Base interactions energy: -412.268 where: short stacking energy: -242.938 Base-Backbone interact. energy: -0.776 local terms energy: -373.998144 where: bonds (distance) C4'-P energy: -112.037 bonds (distance) P-C4' energy: -107.913 flat angles C4'-P-C4' energy: -95.694 flat angles P-C4'-P energy: -35.408 tors. eta vs tors. theta energy: -22.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -546.469566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.469566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.469566 (E_RNA) where: Base-Base interactions energy: -216.722 where: short stacking energy: -183.980 Base-Backbone interact. energy: 0.178 local terms energy: -329.925674 where: bonds (distance) C4'-P energy: -92.069 bonds (distance) P-C4' energy: -110.190 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -60.578 tors. eta vs tors. theta energy: 21.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -565.288368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.288368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.288368 (E_RNA) where: Base-Base interactions energy: -257.598 where: short stacking energy: -166.609 Base-Backbone interact. energy: -2.233 local terms energy: -305.456501 where: bonds (distance) C4'-P energy: -84.747 bonds (distance) P-C4' energy: -95.042 flat angles C4'-P-C4' energy: -91.512 flat angles P-C4'-P energy: -51.834 tors. eta vs tors. theta energy: 17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2093.057982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.057982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.057982 (E_RNA) where: Base-Base interactions energy: -1406.879 where: short stacking energy: -611.991 Base-Backbone interact. energy: 0.292 local terms energy: -686.470810 where: bonds (distance) C4'-P energy: -119.668 bonds (distance) P-C4' energy: -145.355 flat angles C4'-P-C4' energy: -146.187 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -166.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1998.395594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.395594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.395594 (E_RNA) where: Base-Base interactions energy: -1386.076 where: short stacking energy: -588.907 Base-Backbone interact. energy: -4.718 local terms energy: -607.601671 where: bonds (distance) C4'-P energy: -121.380 bonds (distance) P-C4' energy: -113.547 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -72.783 tors. eta vs tors. theta energy: -155.740 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: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1840.601433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.601433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.601433 (E_RNA) where: Base-Base interactions energy: -1249.151 where: short stacking energy: -538.317 Base-Backbone interact. energy: -2.526 local terms energy: -588.924455 where: bonds (distance) C4'-P energy: -122.172 bonds (distance) P-C4' energy: -111.460 flat angles C4'-P-C4' energy: -125.472 flat angles P-C4'-P energy: -97.373 tors. eta vs tors. theta energy: -132.447 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: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1650.177976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.177976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.177976 (E_RNA) where: Base-Base interactions energy: -1051.828 where: short stacking energy: -475.447 Base-Backbone interact. energy: -3.477 local terms energy: -594.873251 where: bonds (distance) C4'-P energy: -120.896 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -134.161 flat angles P-C4'-P energy: -76.561 tors. eta vs tors. theta energy: -132.552 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: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1626.170347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.170347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.170347 (E_RNA) where: Base-Base interactions energy: -1119.322 where: short stacking energy: -475.069 Base-Backbone interact. energy: 0.654 local terms energy: -507.502546 where: bonds (distance) C4'-P energy: -99.633 bonds (distance) P-C4' energy: -113.916 flat angles C4'-P-C4' energy: -110.963 flat angles P-C4'-P energy: -78.274 tors. eta vs tors. theta energy: -104.717 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: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1489.078161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.078161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.078161 (E_RNA) where: Base-Base interactions energy: -953.476 where: short stacking energy: -435.227 Base-Backbone interact. energy: 2.030 local terms energy: -537.632272 where: bonds (distance) C4'-P energy: -100.421 bonds (distance) P-C4' energy: -119.241 flat angles C4'-P-C4' energy: -132.262 flat angles P-C4'-P energy: -73.720 tors. eta vs tors. theta energy: -111.989 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: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1095.612749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.612749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.612749 (E_RNA) where: Base-Base interactions energy: -647.357 where: short stacking energy: -323.779 Base-Backbone interact. energy: -3.007 local terms energy: -445.248430 where: bonds (distance) C4'-P energy: -106.291 bonds (distance) P-C4' energy: -106.785 flat angles C4'-P-C4' energy: -120.479 flat angles P-C4'-P energy: -62.016 tors. eta vs tors. theta energy: -49.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -784.529688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.529688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.529688 (E_RNA) where: Base-Base interactions energy: -418.694 where: short stacking energy: -244.289 Base-Backbone interact. energy: 3.228 local terms energy: -369.063908 where: bonds (distance) C4'-P energy: -96.322 bonds (distance) P-C4' energy: -94.391 flat angles C4'-P-C4' energy: -101.254 flat angles P-C4'-P energy: -57.100 tors. eta vs tors. theta energy: -19.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -595.505348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.505348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.505348 (E_RNA) where: Base-Base interactions energy: -241.041 where: short stacking energy: -161.018 Base-Backbone interact. energy: 1.955 local terms energy: -356.418937 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -118.357 flat angles C4'-P-C4' energy: -85.849 flat angles P-C4'-P energy: -51.933 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -560.017123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.017123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.017123 (E_RNA) where: Base-Base interactions energy: -242.205 where: short stacking energy: -163.376 Base-Backbone interact. energy: 0.758 local terms energy: -318.569764 where: bonds (distance) C4'-P energy: -92.901 bonds (distance) P-C4' energy: -102.417 flat angles C4'-P-C4' energy: -99.753 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: 27.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2134.849507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.849507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.849507 (E_RNA) where: Base-Base interactions energy: -1463.877 where: short stacking energy: -627.286 Base-Backbone interact. energy: -4.289 local terms energy: -666.684006 where: bonds (distance) C4'-P energy: -126.726 bonds (distance) P-C4' energy: -122.998 flat angles C4'-P-C4' energy: -147.919 flat angles P-C4'-P energy: -98.438 tors. eta vs tors. theta energy: -170.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2010.863298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.863298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.863298 (E_RNA) where: Base-Base interactions energy: -1366.658 where: short stacking energy: -581.009 Base-Backbone interact. energy: -0.536 local terms energy: -643.669890 where: bonds (distance) C4'-P energy: -128.234 bonds (distance) P-C4' energy: -118.275 flat angles C4'-P-C4' energy: -129.559 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -169.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1849.566610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.566610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.566610 (E_RNA) where: Base-Base interactions energy: -1224.088 where: short stacking energy: -570.176 Base-Backbone interact. energy: -2.030 local terms energy: -623.448477 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -135.561 flat angles P-C4'-P energy: -93.076 tors. eta vs tors. theta energy: -152.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1667.215416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.215416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.215416 (E_RNA) where: Base-Base interactions energy: -1078.003 where: short stacking energy: -489.141 Base-Backbone interact. energy: -5.025 local terms energy: -584.187828 where: bonds (distance) C4'-P energy: -110.820 bonds (distance) P-C4' energy: -119.154 flat angles C4'-P-C4' energy: -129.910 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -139.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1677.637838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.637838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.637838 (E_RNA) where: Base-Base interactions energy: -1132.716 where: short stacking energy: -476.170 Base-Backbone interact. energy: -0.027 local terms energy: -544.895085 where: bonds (distance) C4'-P energy: -107.485 bonds (distance) P-C4' energy: -120.726 flat angles C4'-P-C4' energy: -125.177 flat angles P-C4'-P energy: -77.208 tors. eta vs tors. theta energy: -114.298 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: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1476.183571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.183571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.183571 (E_RNA) where: Base-Base interactions energy: -952.202 where: short stacking energy: -415.289 Base-Backbone interact. energy: 1.487 local terms energy: -525.468576 where: bonds (distance) C4'-P energy: -93.503 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -110.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1065.197225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.197225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.197225 (E_RNA) where: Base-Base interactions energy: -611.403 where: short stacking energy: -320.542 Base-Backbone interact. energy: 3.843 local terms energy: -457.637492 where: bonds (distance) C4'-P energy: -116.412 bonds (distance) P-C4' energy: -105.320 flat angles C4'-P-C4' energy: -110.767 flat angles P-C4'-P energy: -64.898 tors. eta vs tors. theta energy: -60.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -767.977758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.977758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.977758 (E_RNA) where: Base-Base interactions energy: -380.646 where: short stacking energy: -225.032 Base-Backbone interact. energy: 0.274 local terms energy: -387.605771 where: bonds (distance) C4'-P energy: -110.893 bonds (distance) P-C4' energy: -99.740 flat angles C4'-P-C4' energy: -87.592 flat angles P-C4'-P energy: -66.522 tors. eta vs tors. theta energy: -22.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -612.608861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.608861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.608861 (E_RNA) where: Base-Base interactions energy: -275.494 where: short stacking energy: -170.502 Base-Backbone interact. energy: 2.063 local terms energy: -339.177782 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -111.436 flat angles C4'-P-C4' energy: -69.586 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: 15.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -502.962979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.962979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.962979 (E_RNA) where: Base-Base interactions energy: -154.137 where: short stacking energy: -126.002 Base-Backbone interact. energy: -0.488 local terms energy: -348.337429 where: bonds (distance) C4'-P energy: -125.198 bonds (distance) P-C4' energy: -107.202 flat angles C4'-P-C4' energy: -93.581 flat angles P-C4'-P energy: -45.502 tors. eta vs tors. theta energy: 23.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2087.126064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.126064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.126064 (E_RNA) where: Base-Base interactions energy: -1427.894 where: short stacking energy: -610.388 Base-Backbone interact. energy: -4.107 local terms energy: -655.124988 where: bonds (distance) C4'-P energy: -126.784 bonds (distance) P-C4' energy: -124.358 flat angles C4'-P-C4' energy: -145.149 flat angles P-C4'-P energy: -91.019 tors. eta vs tors. theta energy: -167.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1998.508242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.508242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.508242 (E_RNA) where: Base-Base interactions energy: -1364.832 where: short stacking energy: -568.254 Base-Backbone interact. energy: -6.771 local terms energy: -626.904914 where: bonds (distance) C4'-P energy: -117.478 bonds (distance) P-C4' energy: -104.170 flat angles C4'-P-C4' energy: -148.874 flat angles P-C4'-P energy: -84.389 tors. eta vs tors. theta energy: -171.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1835.289443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.289443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.289443 (E_RNA) where: Base-Base interactions energy: -1251.072 where: short stacking energy: -542.944 Base-Backbone interact. energy: 0.102 local terms energy: -584.319229 where: bonds (distance) C4'-P energy: -108.256 bonds (distance) P-C4' energy: -128.194 flat angles C4'-P-C4' energy: -122.206 flat angles P-C4'-P energy: -85.956 tors. eta vs tors. theta energy: -139.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1761.761950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.761950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.761950 (E_RNA) where: Base-Base interactions energy: -1157.368 where: short stacking energy: -502.928 Base-Backbone interact. energy: -2.552 local terms energy: -601.842803 where: bonds (distance) C4'-P energy: -127.658 bonds (distance) P-C4' energy: -123.866 flat angles C4'-P-C4' energy: -125.879 flat angles P-C4'-P energy: -92.384 tors. eta vs tors. theta energy: -132.055 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: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1616.077941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.077941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.077941 (E_RNA) where: Base-Base interactions energy: -1060.833 where: short stacking energy: -493.312 Base-Backbone interact. energy: 4.560 local terms energy: -559.804818 where: bonds (distance) C4'-P energy: -112.097 bonds (distance) P-C4' energy: -105.301 flat angles C4'-P-C4' energy: -123.325 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: -131.381 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: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1476.687646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.687646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.687646 (E_RNA) where: Base-Base interactions energy: -972.020 where: short stacking energy: -430.987 Base-Backbone interact. energy: -0.004 local terms energy: -504.663145 where: bonds (distance) C4'-P energy: -111.032 bonds (distance) P-C4' energy: -107.568 flat angles C4'-P-C4' energy: -107.567 flat angles P-C4'-P energy: -75.022 tors. eta vs tors. theta energy: -103.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1146.122465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.122465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.122465 (E_RNA) where: Base-Base interactions energy: -674.989 where: short stacking energy: -334.203 Base-Backbone interact. energy: -0.146 local terms energy: -470.987908 where: bonds (distance) C4'-P energy: -100.266 bonds (distance) P-C4' energy: -111.546 flat angles C4'-P-C4' energy: -120.078 flat angles P-C4'-P energy: -76.477 tors. eta vs tors. theta energy: -62.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -775.575272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.575272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.575272 (E_RNA) where: Base-Base interactions energy: -377.828 where: short stacking energy: -216.748 Base-Backbone interact. energy: -1.411 local terms energy: -396.336308 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -107.279 flat angles C4'-P-C4' energy: -95.308 flat angles P-C4'-P energy: -57.122 tors. eta vs tors. theta energy: -34.927 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: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -619.754941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.754941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.754941 (E_RNA) where: Base-Base interactions energy: -278.543 where: short stacking energy: -186.311 Base-Backbone interact. energy: -3.994 local terms energy: -337.217373 where: bonds (distance) C4'-P energy: -95.904 bonds (distance) P-C4' energy: -102.778 flat angles C4'-P-C4' energy: -74.968 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: 9.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -500.981179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.981179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.981179 (E_RNA) where: Base-Base interactions energy: -211.371 where: short stacking energy: -143.371 Base-Backbone interact. energy: 3.050 local terms energy: -292.660459 where: bonds (distance) C4'-P energy: -97.030 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -87.383 flat angles P-C4'-P energy: -26.425 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: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2116.814222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.814222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.814222 (E_RNA) where: Base-Base interactions energy: -1466.005 where: short stacking energy: -603.842 Base-Backbone interact. energy: -6.733 local terms energy: -644.076115 where: bonds (distance) C4'-P energy: -109.923 bonds (distance) P-C4' energy: -133.021 flat angles C4'-P-C4' energy: -139.310 flat angles P-C4'-P energy: -88.362 tors. eta vs tors. theta energy: -173.461 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: 84 Temperature: 0.950000 Total energy: -2033.313291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.313291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.313291 (E_RNA) where: Base-Base interactions energy: -1390.453 where: short stacking energy: -589.767 Base-Backbone interact. energy: -1.685 local terms energy: -641.174588 where: bonds (distance) C4'-P energy: -115.642 bonds (distance) P-C4' energy: -121.618 flat angles C4'-P-C4' energy: -138.452 flat angles P-C4'-P energy: -96.488 tors. eta vs tors. theta energy: -168.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1838.886907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.886907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.886907 (E_RNA) where: Base-Base interactions energy: -1221.603 where: short stacking energy: -567.865 Base-Backbone interact. energy: -4.231 local terms energy: -613.052684 where: bonds (distance) C4'-P energy: -113.530 bonds (distance) P-C4' energy: -115.041 flat angles C4'-P-C4' energy: -139.378 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -155.373 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: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1745.923292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.923292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.923292 (E_RNA) where: Base-Base interactions energy: -1177.817 where: short stacking energy: -500.509 Base-Backbone interact. energy: 0.097 local terms energy: -568.203268 where: bonds (distance) C4'-P energy: -122.312 bonds (distance) P-C4' energy: -107.836 flat angles C4'-P-C4' energy: -127.113 flat angles P-C4'-P energy: -80.444 tors. eta vs tors. theta energy: -130.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1596.968895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.968895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.968895 (E_RNA) where: Base-Base interactions energy: -1067.168 where: short stacking energy: -469.344 Base-Backbone interact. energy: -2.681 local terms energy: -527.119804 where: bonds (distance) C4'-P energy: -93.688 bonds (distance) P-C4' energy: -115.788 flat angles C4'-P-C4' energy: -119.513 flat angles P-C4'-P energy: -68.881 tors. eta vs tors. theta energy: -129.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1400.525344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.525344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.525344 (E_RNA) where: Base-Base interactions energy: -907.042 where: short stacking energy: -432.958 Base-Backbone interact. energy: 0.029 local terms energy: -493.512363 where: bonds (distance) C4'-P energy: -98.605 bonds (distance) P-C4' energy: -110.670 flat angles C4'-P-C4' energy: -134.647 flat angles P-C4'-P energy: -46.880 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: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1147.004746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.004746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.004746 (E_RNA) where: Base-Base interactions energy: -697.093 where: short stacking energy: -321.677 Base-Backbone interact. energy: -2.447 local terms energy: -447.465367 where: bonds (distance) C4'-P energy: -109.565 bonds (distance) P-C4' energy: -114.854 flat angles C4'-P-C4' energy: -104.196 flat angles P-C4'-P energy: -62.244 tors. eta vs tors. theta energy: -56.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -803.025810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.025810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.025810 (E_RNA) where: Base-Base interactions energy: -450.368 where: short stacking energy: -262.771 Base-Backbone interact. energy: 1.141 local terms energy: -353.798930 where: bonds (distance) C4'-P energy: -96.917 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -96.262 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -10.993 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: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -652.043250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.043250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.043250 (E_RNA) where: Base-Base interactions energy: -292.147 where: short stacking energy: -169.291 Base-Backbone interact. energy: 0.531 local terms energy: -360.427198 where: bonds (distance) C4'-P energy: -105.940 bonds (distance) P-C4' energy: -96.781 flat angles C4'-P-C4' energy: -106.991 flat angles P-C4'-P energy: -56.232 tors. eta vs tors. theta energy: 5.516 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: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -542.678734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.678734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.678734 (E_RNA) where: Base-Base interactions energy: -223.843 where: short stacking energy: -149.637 Base-Backbone interact. energy: -2.972 local terms energy: -315.863684 where: bonds (distance) C4'-P energy: -62.947 bonds (distance) P-C4' energy: -123.811 flat angles C4'-P-C4' energy: -98.664 flat angles P-C4'-P energy: -51.500 tors. eta vs tors. theta energy: 21.058 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: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2103.653213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.653213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.653213 (E_RNA) where: Base-Base interactions energy: -1455.420 where: short stacking energy: -617.438 Base-Backbone interact. energy: -4.777 local terms energy: -643.455978 where: bonds (distance) C4'-P energy: -122.368 bonds (distance) P-C4' energy: -125.716 flat angles C4'-P-C4' energy: -135.754 flat angles P-C4'-P energy: -89.107 tors. eta vs tors. theta energy: -170.511 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: 85 Temperature: 0.950000 Total energy: -2035.056248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.056248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.056248 (E_RNA) where: Base-Base interactions energy: -1370.501 where: short stacking energy: -588.269 Base-Backbone interact. energy: -6.165 local terms energy: -658.389542 where: bonds (distance) C4'-P energy: -121.140 bonds (distance) P-C4' energy: -125.654 flat angles C4'-P-C4' energy: -147.985 flat angles P-C4'-P energy: -90.555 tors. eta vs tors. theta energy: -173.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1864.941960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.941960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.941960 (E_RNA) where: Base-Base interactions energy: -1263.902 where: short stacking energy: -569.783 Base-Backbone interact. energy: -2.969 local terms energy: -598.070911 where: bonds (distance) C4'-P energy: -123.849 bonds (distance) P-C4' energy: -125.418 flat angles C4'-P-C4' energy: -120.839 flat angles P-C4'-P energy: -71.532 tors. eta vs tors. theta energy: -156.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1771.853290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.853290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.853290 (E_RNA) where: Base-Base interactions energy: -1208.453 where: short stacking energy: -514.379 Base-Backbone interact. energy: 8.473 local terms energy: -571.872680 where: bonds (distance) C4'-P energy: -119.662 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -131.794 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -123.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1562.219193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.219193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.219193 (E_RNA) where: Base-Base interactions energy: -1016.276 where: short stacking energy: -446.878 Base-Backbone interact. energy: 1.866 local terms energy: -547.808789 where: bonds (distance) C4'-P energy: -123.765 bonds (distance) P-C4' energy: -113.210 flat angles C4'-P-C4' energy: -120.686 flat angles P-C4'-P energy: -83.948 tors. eta vs tors. theta energy: -106.200 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: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1486.760865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.760865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.760865 (E_RNA) where: Base-Base interactions energy: -949.988 where: short stacking energy: -442.464 Base-Backbone interact. energy: -2.238 local terms energy: -534.534789 where: bonds (distance) C4'-P energy: -101.409 bonds (distance) P-C4' energy: -111.030 flat angles C4'-P-C4' energy: -119.388 flat angles P-C4'-P energy: -88.880 tors. eta vs tors. theta energy: -113.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1110.058496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.058496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.058496 (E_RNA) where: Base-Base interactions energy: -677.234 where: short stacking energy: -314.924 Base-Backbone interact. energy: -3.936 local terms energy: -428.888728 where: bonds (distance) C4'-P energy: -110.847 bonds (distance) P-C4' energy: -99.571 flat angles C4'-P-C4' energy: -114.785 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -52.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -767.959772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.959772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.959772 (E_RNA) where: Base-Base interactions energy: -402.027 where: short stacking energy: -205.993 Base-Backbone interact. energy: -0.668 local terms energy: -365.264639 where: bonds (distance) C4'-P energy: -98.928 bonds (distance) P-C4' energy: -116.199 flat angles C4'-P-C4' energy: -96.654 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: 2.298 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: 85 Temperature: 1.300000 Total energy: -652.668116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.668116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.668116 (E_RNA) where: Base-Base interactions energy: -302.330 where: short stacking energy: -174.563 Base-Backbone interact. energy: 5.348 local terms energy: -355.686278 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -123.596 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -58.920 tors. eta vs tors. theta energy: 27.091 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: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -499.021227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.021227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.021227 (E_RNA) where: Base-Base interactions energy: -185.162 where: short stacking energy: -140.171 Base-Backbone interact. energy: -2.674 local terms energy: -311.185404 where: bonds (distance) C4'-P energy: -94.432 bonds (distance) P-C4' energy: -109.964 flat angles C4'-P-C4' energy: -84.867 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: 31.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2120.143968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.143968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.143968 (E_RNA) where: Base-Base interactions energy: -1474.563 where: short stacking energy: -621.240 Base-Backbone interact. energy: 0.141 local terms energy: -645.722764 where: bonds (distance) C4'-P energy: -123.617 bonds (distance) P-C4' energy: -117.242 flat angles C4'-P-C4' energy: -140.104 flat angles P-C4'-P energy: -97.201 tors. eta vs tors. theta energy: -167.558 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: 86 Temperature: 0.950000 Total energy: -2011.764340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.764340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.764340 (E_RNA) where: Base-Base interactions energy: -1361.320 where: short stacking energy: -591.171 Base-Backbone interact. energy: -3.521 local terms energy: -646.922767 where: bonds (distance) C4'-P energy: -134.393 bonds (distance) P-C4' energy: -117.696 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -93.732 tors. eta vs tors. theta energy: -168.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1863.355828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.355828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.355828 (E_RNA) where: Base-Base interactions energy: -1275.128 where: short stacking energy: -549.394 Base-Backbone interact. energy: 0.373 local terms energy: -588.600444 where: bonds (distance) C4'-P energy: -109.265 bonds (distance) P-C4' energy: -117.817 flat angles C4'-P-C4' energy: -138.111 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -148.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1753.716794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.716794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.716794 (E_RNA) where: Base-Base interactions energy: -1204.363 where: short stacking energy: -479.789 Base-Backbone interact. energy: -1.807 local terms energy: -547.547200 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -111.160 flat angles C4'-P-C4' energy: -124.962 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -135.383 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: 5, replica: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1558.683492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.683492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.683492 (E_RNA) where: Base-Base interactions energy: -997.046 where: short stacking energy: -475.315 Base-Backbone interact. energy: -1.544 local terms energy: -560.093403 where: bonds (distance) C4'-P energy: -102.842 bonds (distance) P-C4' energy: -126.055 flat angles C4'-P-C4' energy: -116.735 flat angles P-C4'-P energy: -83.013 tors. eta vs tors. theta energy: -131.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1491.027765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.027765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.027765 (E_RNA) where: Base-Base interactions energy: -983.127 where: short stacking energy: -458.470 Base-Backbone interact. energy: -2.509 local terms energy: -505.391931 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -114.179 flat angles C4'-P-C4' energy: -116.952 flat angles P-C4'-P energy: -83.537 tors. eta vs tors. theta energy: -99.360 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: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1089.310779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.310779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.310779 (E_RNA) where: Base-Base interactions energy: -661.396 where: short stacking energy: -305.032 Base-Backbone interact. energy: 1.409 local terms energy: -429.323935 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -109.628 flat angles C4'-P-C4' energy: -114.284 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -42.416 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: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -841.710449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.710449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.710449 (E_RNA) where: Base-Base interactions energy: -439.189 where: short stacking energy: -243.569 Base-Backbone interact. energy: -4.465 local terms energy: -398.056841 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -109.547 flat angles C4'-P-C4' energy: -110.985 flat angles P-C4'-P energy: -50.370 tors. eta vs tors. theta energy: -23.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -676.207103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.207103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.207103 (E_RNA) where: Base-Base interactions energy: -314.453 where: short stacking energy: -203.486 Base-Backbone interact. energy: -2.927 local terms energy: -358.827124 where: bonds (distance) C4'-P energy: -99.903 bonds (distance) P-C4' energy: -95.973 flat angles C4'-P-C4' energy: -104.298 flat angles P-C4'-P energy: -61.303 tors. eta vs tors. theta energy: 2.650 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: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -519.169835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.169835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.169835 (E_RNA) where: Base-Base interactions energy: -195.503 where: short stacking energy: -148.428 Base-Backbone interact. energy: 1.118 local terms energy: -324.785440 where: bonds (distance) C4'-P energy: -101.030 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -101.214 flat angles P-C4'-P energy: -56.686 tors. eta vs tors. theta energy: 40.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2192.230446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.230446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.230446 (E_RNA) where: Base-Base interactions energy: -1524.583 where: short stacking energy: -631.037 Base-Backbone interact. energy: -0.251 local terms energy: -667.396193 where: bonds (distance) C4'-P energy: -116.816 bonds (distance) P-C4' energy: -127.970 flat angles C4'-P-C4' energy: -144.808 flat angles P-C4'-P energy: -99.239 tors. eta vs tors. theta energy: -178.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2043.656527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.656527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.656527 (E_RNA) where: Base-Base interactions energy: -1394.780 where: short stacking energy: -588.539 Base-Backbone interact. energy: -4.864 local terms energy: -644.011960 where: bonds (distance) C4'-P energy: -111.799 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -143.986 flat angles P-C4'-P energy: -92.356 tors. eta vs tors. theta energy: -172.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1883.130389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.130389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.130389 (E_RNA) where: Base-Base interactions energy: -1259.910 where: short stacking energy: -553.016 Base-Backbone interact. energy: 0.062 local terms energy: -623.281715 where: bonds (distance) C4'-P energy: -122.098 bonds (distance) P-C4' energy: -113.931 flat angles C4'-P-C4' energy: -132.996 flat angles P-C4'-P energy: -90.788 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: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1738.131667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.131667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.131667 (E_RNA) where: Base-Base interactions energy: -1174.462 where: short stacking energy: -489.727 Base-Backbone interact. energy: 1.389 local terms energy: -565.058253 where: bonds (distance) C4'-P energy: -118.762 bonds (distance) P-C4' energy: -111.857 flat angles C4'-P-C4' energy: -118.554 flat angles P-C4'-P energy: -82.909 tors. eta vs tors. theta energy: -132.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1621.488417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.488417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.488417 (E_RNA) where: Base-Base interactions energy: -1090.986 where: short stacking energy: -462.359 Base-Backbone interact. energy: 7.886 local terms energy: -538.388476 where: bonds (distance) C4'-P energy: -105.096 bonds (distance) P-C4' energy: -117.773 flat angles C4'-P-C4' energy: -117.380 flat angles P-C4'-P energy: -77.502 tors. eta vs tors. theta energy: -120.638 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: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1527.187368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.187368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.187368 (E_RNA) where: Base-Base interactions energy: -995.621 where: short stacking energy: -463.969 Base-Backbone interact. energy: 0.534 local terms energy: -532.099836 where: bonds (distance) C4'-P energy: -121.638 bonds (distance) P-C4' energy: -98.527 flat angles C4'-P-C4' energy: -120.192 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -126.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1049.804083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.804083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.804083 (E_RNA) where: Base-Base interactions energy: -614.042 where: short stacking energy: -307.535 Base-Backbone interact. energy: 0.098 local terms energy: -435.860053 where: bonds (distance) C4'-P energy: -107.177 bonds (distance) P-C4' energy: -97.898 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: -55.906 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: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -736.501397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.501397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.501397 (E_RNA) where: Base-Base interactions energy: -346.118 where: short stacking energy: -212.931 Base-Backbone interact. energy: -2.268 local terms energy: -388.114810 where: bonds (distance) C4'-P energy: -85.863 bonds (distance) P-C4' energy: -110.830 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -64.072 tors. eta vs tors. theta energy: -18.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -701.170004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.170004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.170004 (E_RNA) where: Base-Base interactions energy: -340.221 where: short stacking energy: -187.470 Base-Backbone interact. energy: 3.385 local terms energy: -364.333995 where: bonds (distance) C4'-P energy: -99.573 bonds (distance) P-C4' energy: -111.456 flat angles C4'-P-C4' energy: -99.890 flat angles P-C4'-P energy: -51.530 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -584.686399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.686399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.686399 (E_RNA) where: Base-Base interactions energy: -260.849 where: short stacking energy: -166.459 Base-Backbone interact. energy: 1.477 local terms energy: -325.315120 where: bonds (distance) C4'-P energy: -79.213 bonds (distance) P-C4' energy: -118.172 flat angles C4'-P-C4' energy: -105.375 flat angles P-C4'-P energy: -55.071 tors. eta vs tors. theta energy: 32.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2098.116063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.116063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.116063 (E_RNA) where: Base-Base interactions energy: -1417.082 where: short stacking energy: -623.977 Base-Backbone interact. energy: -6.153 local terms energy: -674.880568 where: bonds (distance) C4'-P energy: -126.247 bonds (distance) P-C4' energy: -145.411 flat angles C4'-P-C4' energy: -137.396 flat angles P-C4'-P energy: -92.868 tors. eta vs tors. theta energy: -172.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2059.395448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.395448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.395448 (E_RNA) where: Base-Base interactions energy: -1393.520 where: short stacking energy: -600.326 Base-Backbone interact. energy: -2.920 local terms energy: -662.956017 where: bonds (distance) C4'-P energy: -132.669 bonds (distance) P-C4' energy: -126.317 flat angles C4'-P-C4' energy: -139.697 flat angles P-C4'-P energy: -94.822 tors. eta vs tors. theta energy: -169.450 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: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1829.179761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.179761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.179761 (E_RNA) where: Base-Base interactions energy: -1219.208 where: short stacking energy: -551.904 Base-Backbone interact. energy: 3.235 local terms energy: -613.206234 where: bonds (distance) C4'-P energy: -117.460 bonds (distance) P-C4' energy: -118.565 flat angles C4'-P-C4' energy: -138.675 flat angles P-C4'-P energy: -85.710 tors. eta vs tors. theta energy: -152.795 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: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1745.726937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.726937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.726937 (E_RNA) where: Base-Base interactions energy: -1172.839 where: short stacking energy: -538.581 Base-Backbone interact. energy: -1.342 local terms energy: -571.545592 where: bonds (distance) C4'-P energy: -117.165 bonds (distance) P-C4' energy: -117.473 flat angles C4'-P-C4' energy: -138.957 flat angles P-C4'-P energy: -57.438 tors. eta vs tors. theta energy: -140.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1640.260401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.260401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.260401 (E_RNA) where: Base-Base interactions energy: -1096.156 where: short stacking energy: -501.136 Base-Backbone interact. energy: -3.354 local terms energy: -540.750681 where: bonds (distance) C4'-P energy: -104.668 bonds (distance) P-C4' energy: -124.660 flat angles C4'-P-C4' energy: -114.699 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -130.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1513.804002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.804002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.804002 (E_RNA) where: Base-Base interactions energy: -978.711 where: short stacking energy: -465.126 Base-Backbone interact. energy: -3.030 local terms energy: -532.062176 where: bonds (distance) C4'-P energy: -98.559 bonds (distance) P-C4' energy: -124.082 flat angles C4'-P-C4' energy: -110.157 flat angles P-C4'-P energy: -84.298 tors. eta vs tors. theta energy: -114.966 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: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1128.321452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.321452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.321452 (E_RNA) where: Base-Base interactions energy: -666.008 where: short stacking energy: -317.671 Base-Backbone interact. energy: -1.342 local terms energy: -460.971779 where: bonds (distance) C4'-P energy: -111.437 bonds (distance) P-C4' energy: -120.820 flat angles C4'-P-C4' energy: -114.188 flat angles P-C4'-P energy: -58.335 tors. eta vs tors. theta energy: -56.191 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: 88 Temperature: 1.250000 Total energy: -653.251709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.251709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.251709 (E_RNA) where: Base-Base interactions energy: -280.055 where: short stacking energy: -200.129 Base-Backbone interact. energy: -1.752 local terms energy: -371.444772 where: bonds (distance) C4'-P energy: -110.116 bonds (distance) P-C4' energy: -105.186 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: 6.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -678.795919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.795919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.795919 (E_RNA) where: Base-Base interactions energy: -322.964 where: short stacking energy: -166.174 Base-Backbone interact. energy: -2.710 local terms energy: -353.121972 where: bonds (distance) C4'-P energy: -102.873 bonds (distance) P-C4' energy: -102.267 flat angles C4'-P-C4' energy: -85.819 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: 1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -518.462290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.462290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.462290 (E_RNA) where: Base-Base interactions energy: -192.896 where: short stacking energy: -154.323 Base-Backbone interact. energy: 0.064 local terms energy: -325.630467 where: bonds (distance) C4'-P energy: -97.049 bonds (distance) P-C4' energy: -106.922 flat angles C4'-P-C4' energy: -88.445 flat angles P-C4'-P energy: -51.512 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: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2080.162077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.162077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.162077 (E_RNA) where: Base-Base interactions energy: -1432.855 where: short stacking energy: -589.073 Base-Backbone interact. energy: -5.161 local terms energy: -642.146034 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -126.221 flat angles P-C4'-P energy: -93.464 tors. eta vs tors. theta energy: -162.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2059.755239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.755239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.755239 (E_RNA) where: Base-Base interactions energy: -1425.164 where: short stacking energy: -596.091 Base-Backbone interact. energy: -3.752 local terms energy: -630.839540 where: bonds (distance) C4'-P energy: -131.407 bonds (distance) P-C4' energy: -128.491 flat angles C4'-P-C4' energy: -129.940 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: -166.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1822.642164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.642164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.642164 (E_RNA) where: Base-Base interactions energy: -1259.989 where: short stacking energy: -565.018 Base-Backbone interact. energy: -2.639 local terms energy: -560.014971 where: bonds (distance) C4'-P energy: -102.534 bonds (distance) P-C4' energy: -116.989 flat angles C4'-P-C4' energy: -125.140 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -140.369 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: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1690.979957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.979957 (E_RNA) where: Base-Base interactions energy: -1126.864 where: short stacking energy: -496.478 Base-Backbone interact. energy: -5.382 local terms energy: -558.733893 where: bonds (distance) C4'-P energy: -104.142 bonds (distance) P-C4' energy: -109.560 flat angles C4'-P-C4' energy: -116.502 flat angles P-C4'-P energy: -95.480 tors. eta vs tors. theta energy: -133.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1637.150482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.150482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.150482 (E_RNA) where: Base-Base interactions energy: -1067.481 where: short stacking energy: -492.667 Base-Backbone interact. energy: -2.370 local terms energy: -567.299602 where: bonds (distance) C4'-P energy: -119.494 bonds (distance) P-C4' energy: -101.953 flat angles C4'-P-C4' energy: -128.987 flat angles P-C4'-P energy: -78.201 tors. eta vs tors. theta energy: -138.664 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: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1576.328456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.328456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.328456 (E_RNA) where: Base-Base interactions energy: -1041.350 where: short stacking energy: -466.471 Base-Backbone interact. energy: -0.628 local terms energy: -534.350609 where: bonds (distance) C4'-P energy: -111.740 bonds (distance) P-C4' energy: -101.615 flat angles C4'-P-C4' energy: -112.772 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -134.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1093.275804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.275804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.275804 (E_RNA) where: Base-Base interactions energy: -657.880 where: short stacking energy: -323.149 Base-Backbone interact. energy: -2.718 local terms energy: -432.677574 where: bonds (distance) C4'-P energy: -108.732 bonds (distance) P-C4' energy: -99.702 flat angles C4'-P-C4' energy: -103.256 flat angles P-C4'-P energy: -60.786 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: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -745.793159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.793159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.793159 (E_RNA) where: Base-Base interactions energy: -368.361 where: short stacking energy: -201.170 Base-Backbone interact. energy: 0.201 local terms energy: -377.633131 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -110.189 flat angles C4'-P-C4' energy: -96.134 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: 1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -629.802169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.802169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.802169 (E_RNA) where: Base-Base interactions energy: -285.599 where: short stacking energy: -182.126 Base-Backbone interact. energy: -1.893 local terms energy: -342.310404 where: bonds (distance) C4'-P energy: -81.263 bonds (distance) P-C4' energy: -115.208 flat angles C4'-P-C4' energy: -100.713 flat angles P-C4'-P energy: -53.715 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: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -508.012498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.012498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.012498 (E_RNA) where: Base-Base interactions energy: -177.349 where: short stacking energy: -139.828 Base-Backbone interact. energy: -2.102 local terms energy: -328.560873 where: bonds (distance) C4'-P energy: -104.808 bonds (distance) P-C4' energy: -116.423 flat angles C4'-P-C4' energy: -91.283 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: 23.411 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: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2115.244115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.244115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.244115 (E_RNA) where: Base-Base interactions energy: -1464.847 where: short stacking energy: -619.182 Base-Backbone interact. energy: -0.768 local terms energy: -649.629074 where: bonds (distance) C4'-P energy: -115.706 bonds (distance) P-C4' energy: -132.773 flat angles C4'-P-C4' energy: -132.235 flat angles P-C4'-P energy: -90.724 tors. eta vs tors. theta energy: -178.190 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: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2022.742051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.742051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.742051 (E_RNA) where: Base-Base interactions energy: -1378.653 where: short stacking energy: -572.260 Base-Backbone interact. energy: -7.007 local terms energy: -637.082305 where: bonds (distance) C4'-P energy: -118.324 bonds (distance) P-C4' energy: -130.304 flat angles C4'-P-C4' energy: -127.294 flat angles P-C4'-P energy: -98.397 tors. eta vs tors. theta energy: -162.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1787.640393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.640393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.640393 (E_RNA) where: Base-Base interactions energy: -1172.942 where: short stacking energy: -506.206 Base-Backbone interact. energy: -3.187 local terms energy: -611.511475 where: bonds (distance) C4'-P energy: -113.912 bonds (distance) P-C4' energy: -130.688 flat angles C4'-P-C4' energy: -138.098 flat angles P-C4'-P energy: -86.586 tors. eta vs tors. theta energy: -142.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1778.110201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.110201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.110201 (E_RNA) where: Base-Base interactions energy: -1239.010 where: short stacking energy: -534.633 Base-Backbone interact. energy: 3.702 local terms energy: -542.802102 where: bonds (distance) C4'-P energy: -98.133 bonds (distance) P-C4' energy: -115.913 flat angles C4'-P-C4' energy: -127.109 flat angles P-C4'-P energy: -79.595 tors. eta vs tors. theta energy: -122.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1620.058354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.058354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.058354 (E_RNA) where: Base-Base interactions energy: -1101.704 where: short stacking energy: -477.272 Base-Backbone interact. energy: 0.971 local terms energy: -519.325048 where: bonds (distance) C4'-P energy: -98.280 bonds (distance) P-C4' energy: -115.172 flat angles C4'-P-C4' energy: -115.944 flat angles P-C4'-P energy: -82.192 tors. eta vs tors. theta energy: -107.737 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: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1562.466133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.466133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.466133 (E_RNA) where: Base-Base interactions energy: -1009.994 where: short stacking energy: -452.876 Base-Backbone interact. energy: -1.294 local terms energy: -551.177882 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -106.493 flat angles C4'-P-C4' energy: -123.380 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -145.409 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: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1142.146855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.146855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.146855 (E_RNA) where: Base-Base interactions energy: -700.023 where: short stacking energy: -358.268 Base-Backbone interact. energy: 0.637 local terms energy: -442.760813 where: bonds (distance) C4'-P energy: -110.563 bonds (distance) P-C4' energy: -106.328 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -74.638 tors. eta vs tors. theta energy: -65.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -768.143045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.143045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.143045 (E_RNA) where: Base-Base interactions energy: -383.474 where: short stacking energy: -237.111 Base-Backbone interact. energy: -1.944 local terms energy: -382.725746 where: bonds (distance) C4'-P energy: -119.079 bonds (distance) P-C4' energy: -93.700 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -24.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -614.588956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.588956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.588956 (E_RNA) where: Base-Base interactions energy: -284.862 where: short stacking energy: -181.757 Base-Backbone interact. energy: -0.326 local terms energy: -329.400732 where: bonds (distance) C4'-P energy: -87.899 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -89.620 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: 0.437 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: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -555.549205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.549205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.549205 (E_RNA) where: Base-Base interactions energy: -261.992 where: short stacking energy: -166.439 Base-Backbone interact. energy: -1.843 local terms energy: -291.714111 where: bonds (distance) C4'-P energy: -98.426 bonds (distance) P-C4' energy: -107.214 flat angles C4'-P-C4' energy: -89.233 flat angles P-C4'-P energy: -31.580 tors. eta vs tors. theta energy: 34.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2103.263862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.263862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.263862 (E_RNA) where: Base-Base interactions energy: -1469.615 where: short stacking energy: -622.867 Base-Backbone interact. energy: -7.849 local terms energy: -625.799372 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -130.420 flat angles C4'-P-C4' energy: -136.740 flat angles P-C4'-P energy: -83.992 tors. eta vs tors. theta energy: -158.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2031.366481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.366481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.366481 (E_RNA) where: Base-Base interactions energy: -1383.832 where: short stacking energy: -603.269 Base-Backbone interact. energy: -5.248 local terms energy: -642.285647 where: bonds (distance) C4'-P energy: -125.661 bonds (distance) P-C4' energy: -123.474 flat angles C4'-P-C4' energy: -143.187 flat angles P-C4'-P energy: -82.828 tors. eta vs tors. theta energy: -167.135 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: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1811.984198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.984198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.984198 (E_RNA) where: Base-Base interactions energy: -1206.187 where: short stacking energy: -557.231 Base-Backbone interact. energy: -4.927 local terms energy: -600.870475 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -130.874 flat angles C4'-P-C4' energy: -115.575 flat angles P-C4'-P energy: -86.231 tors. eta vs tors. theta energy: -152.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1765.646849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.646849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.646849 (E_RNA) where: Base-Base interactions energy: -1197.035 where: short stacking energy: -495.811 Base-Backbone interact. energy: -3.921 local terms energy: -564.690536 where: bonds (distance) C4'-P energy: -108.530 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -123.258 flat angles P-C4'-P energy: -95.034 tors. eta vs tors. theta energy: -120.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1631.234641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.234641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.234641 (E_RNA) where: Base-Base interactions energy: -1100.301 where: short stacking energy: -475.506 Base-Backbone interact. energy: -5.163 local terms energy: -525.770705 where: bonds (distance) C4'-P energy: -118.044 bonds (distance) P-C4' energy: -121.869 flat angles C4'-P-C4' energy: -120.050 flat angles P-C4'-P energy: -66.781 tors. eta vs tors. theta energy: -99.026 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: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1598.502629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.502629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.502629 (E_RNA) where: Base-Base interactions energy: -1059.079 where: short stacking energy: -463.405 Base-Backbone interact. energy: -5.866 local terms energy: -533.557925 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -120.039 flat angles C4'-P-C4' energy: -125.850 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -121.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1176.169982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.169982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.169982 (E_RNA) where: Base-Base interactions energy: -699.159 where: short stacking energy: -370.937 Base-Backbone interact. energy: -2.082 local terms energy: -474.928397 where: bonds (distance) C4'-P energy: -105.129 bonds (distance) P-C4' energy: -92.467 flat angles C4'-P-C4' energy: -118.817 flat angles P-C4'-P energy: -78.147 tors. eta vs tors. theta energy: -80.367 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: 91 Temperature: 1.250000 Total energy: -757.398786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.398786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.398786 (E_RNA) where: Base-Base interactions energy: -391.329 where: short stacking energy: -236.214 Base-Backbone interact. energy: -1.607 local terms energy: -364.463407 where: bonds (distance) C4'-P energy: -98.403 bonds (distance) P-C4' energy: -94.640 flat angles C4'-P-C4' energy: -96.422 flat angles P-C4'-P energy: -53.222 tors. eta vs tors. theta energy: -21.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -627.761219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.761219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.761219 (E_RNA) where: Base-Base interactions energy: -279.318 where: short stacking energy: -180.795 Base-Backbone interact. energy: 0.396 local terms energy: -348.839064 where: bonds (distance) C4'-P energy: -100.276 bonds (distance) P-C4' energy: -119.720 flat angles C4'-P-C4' energy: -86.922 flat angles P-C4'-P energy: -61.564 tors. eta vs tors. theta energy: 19.642 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: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -569.895971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.895971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.895971 (E_RNA) where: Base-Base interactions energy: -262.603 where: short stacking energy: -156.775 Base-Backbone interact. energy: -0.997 local terms energy: -306.295076 where: bonds (distance) C4'-P energy: -83.765 bonds (distance) P-C4' energy: -100.266 flat angles C4'-P-C4' energy: -90.465 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: 23.017 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: 92 Temperature: 0.900000 Total energy: -2111.002330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.002330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.002330 (E_RNA) where: Base-Base interactions energy: -1438.765 where: short stacking energy: -629.685 Base-Backbone interact. energy: -3.197 local terms energy: -669.041141 where: bonds (distance) C4'-P energy: -127.435 bonds (distance) P-C4' energy: -128.129 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -90.228 tors. eta vs tors. theta energy: -179.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2073.944774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.944774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.944774 (E_RNA) where: Base-Base interactions energy: -1417.918 where: short stacking energy: -589.684 Base-Backbone interact. energy: -5.221 local terms energy: -650.805787 where: bonds (distance) C4'-P energy: -135.152 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -145.621 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -170.958 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: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1730.758418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.758418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.758418 (E_RNA) where: Base-Base interactions energy: -1143.468 where: short stacking energy: -501.747 Base-Backbone interact. energy: 1.854 local terms energy: -589.144993 where: bonds (distance) C4'-P energy: -118.590 bonds (distance) P-C4' energy: -112.280 flat angles C4'-P-C4' energy: -138.548 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: -140.795 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: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1684.150619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.150619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.150619 (E_RNA) where: Base-Base interactions energy: -1128.338 where: short stacking energy: -489.197 Base-Backbone interact. energy: -1.453 local terms energy: -554.360189 where: bonds (distance) C4'-P energy: -117.310 bonds (distance) P-C4' energy: -111.404 flat angles C4'-P-C4' energy: -119.201 flat angles P-C4'-P energy: -80.851 tors. eta vs tors. theta energy: -125.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1670.428418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.428418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.428418 (E_RNA) where: Base-Base interactions energy: -1112.563 where: short stacking energy: -496.535 Base-Backbone interact. energy: 1.131 local terms energy: -558.995943 where: bonds (distance) C4'-P energy: -102.096 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -120.037 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -136.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1560.493927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.493927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.493927 (E_RNA) where: Base-Base interactions energy: -1048.792 where: short stacking energy: -468.035 Base-Backbone interact. energy: -2.522 local terms energy: -509.179807 where: bonds (distance) C4'-P energy: -93.521 bonds (distance) P-C4' energy: -110.678 flat angles C4'-P-C4' energy: -113.182 flat angles P-C4'-P energy: -73.550 tors. eta vs tors. theta energy: -118.249 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: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1185.751290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.751290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.751290 (E_RNA) where: Base-Base interactions energy: -708.642 where: short stacking energy: -357.017 Base-Backbone interact. energy: 2.085 local terms energy: -479.194247 where: bonds (distance) C4'-P energy: -107.268 bonds (distance) P-C4' energy: -111.103 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -79.013 tors. eta vs tors. theta energy: -66.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -754.661607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.661607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.661607 (E_RNA) where: Base-Base interactions energy: -371.735 where: short stacking energy: -218.302 Base-Backbone interact. energy: -1.302 local terms energy: -381.625537 where: bonds (distance) C4'-P energy: -112.816 bonds (distance) P-C4' energy: -111.379 flat angles C4'-P-C4' energy: -86.664 flat angles P-C4'-P energy: -57.660 tors. eta vs tors. theta energy: -13.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -597.429700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.429700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.429700 (E_RNA) where: Base-Base interactions energy: -268.634 where: short stacking energy: -194.934 Base-Backbone interact. energy: -1.758 local terms energy: -327.037770 where: bonds (distance) C4'-P energy: -101.729 bonds (distance) P-C4' energy: -111.335 flat angles C4'-P-C4' energy: -77.136 flat angles P-C4'-P energy: -34.535 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -618.997472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.997472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.997472 (E_RNA) where: Base-Base interactions energy: -288.441 where: short stacking energy: -181.944 Base-Backbone interact. energy: 2.222 local terms energy: -332.778138 where: bonds (distance) C4'-P energy: -91.794 bonds (distance) P-C4' energy: -108.363 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -52.892 tors. eta vs tors. theta energy: -15.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2102.098630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.098630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.098630 (E_RNA) where: Base-Base interactions energy: -1417.599 where: short stacking energy: -626.476 Base-Backbone interact. energy: 1.261 local terms energy: -685.760408 where: bonds (distance) C4'-P energy: -126.399 bonds (distance) P-C4' energy: -124.791 flat angles C4'-P-C4' energy: -150.462 flat angles P-C4'-P energy: -101.642 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: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2087.137039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.137039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.137039 (E_RNA) where: Base-Base interactions energy: -1445.892 where: short stacking energy: -611.868 Base-Backbone interact. energy: -2.350 local terms energy: -638.895063 where: bonds (distance) C4'-P energy: -106.908 bonds (distance) P-C4' energy: -136.416 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -82.146 tors. eta vs tors. theta energy: -167.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1819.159264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.159264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.159264 (E_RNA) where: Base-Base interactions energy: -1223.621 where: short stacking energy: -545.443 Base-Backbone interact. energy: 1.471 local terms energy: -597.009199 where: bonds (distance) C4'-P energy: -108.587 bonds (distance) P-C4' energy: -120.584 flat angles C4'-P-C4' energy: -129.477 flat angles P-C4'-P energy: -92.587 tors. eta vs tors. theta energy: -145.775 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: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1721.581549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.581549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.581549 (E_RNA) where: Base-Base interactions energy: -1134.304 where: short stacking energy: -491.197 Base-Backbone interact. energy: -1.832 local terms energy: -585.445067 where: bonds (distance) C4'-P energy: -114.412 bonds (distance) P-C4' energy: -129.807 flat angles C4'-P-C4' energy: -125.988 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -124.657 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: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1646.513920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.513920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.513920 (E_RNA) where: Base-Base interactions energy: -1084.791 where: short stacking energy: -471.666 Base-Backbone interact. energy: -1.489 local terms energy: -560.233560 where: bonds (distance) C4'-P energy: -117.827 bonds (distance) P-C4' energy: -125.004 flat angles C4'-P-C4' energy: -122.034 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: -123.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1518.309583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.309583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.309583 (E_RNA) where: Base-Base interactions energy: -1026.073 where: short stacking energy: -476.242 Base-Backbone interact. energy: 1.643 local terms energy: -493.879558 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -101.344 flat angles C4'-P-C4' energy: -101.988 flat angles P-C4'-P energy: -73.863 tors. eta vs tors. theta energy: -116.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1199.818085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.818085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.818085 (E_RNA) where: Base-Base interactions energy: -735.665 where: short stacking energy: -363.101 Base-Backbone interact. energy: 0.183 local terms energy: -464.335718 where: bonds (distance) C4'-P energy: -98.810 bonds (distance) P-C4' energy: -111.038 flat angles C4'-P-C4' energy: -113.836 flat angles P-C4'-P energy: -65.339 tors. eta vs tors. theta energy: -75.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -756.481445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.481445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.481445 (E_RNA) where: Base-Base interactions energy: -376.135 where: short stacking energy: -224.848 Base-Backbone interact. energy: -0.214 local terms energy: -380.132483 where: bonds (distance) C4'-P energy: -75.311 bonds (distance) P-C4' energy: -136.259 flat angles C4'-P-C4' energy: -107.707 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -9.183 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: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -583.873632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.873632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.873632 (E_RNA) where: Base-Base interactions energy: -225.640 where: short stacking energy: -168.549 Base-Backbone interact. energy: -1.900 local terms energy: -356.333525 where: bonds (distance) C4'-P energy: -93.577 bonds (distance) P-C4' energy: -117.761 flat angles C4'-P-C4' energy: -95.153 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: 4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -674.596705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.596705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.596705 (E_RNA) where: Base-Base interactions energy: -304.776 where: short stacking energy: -191.886 Base-Backbone interact. energy: -5.646 local terms energy: -364.174975 where: bonds (distance) C4'-P energy: -104.765 bonds (distance) P-C4' energy: -109.846 flat angles C4'-P-C4' energy: -98.173 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: 9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2138.144462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.144462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.144462 (E_RNA) where: Base-Base interactions energy: -1478.260 where: short stacking energy: -624.532 Base-Backbone interact. energy: -3.344 local terms energy: -656.540502 where: bonds (distance) C4'-P energy: -125.550 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -138.162 flat angles P-C4'-P energy: -88.437 tors. eta vs tors. theta energy: -172.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2000.398563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.398563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.398563 (E_RNA) where: Base-Base interactions energy: -1376.521 where: short stacking energy: -575.573 Base-Backbone interact. energy: -3.066 local terms energy: -620.811495 where: bonds (distance) C4'-P energy: -100.642 bonds (distance) P-C4' energy: -124.787 flat angles C4'-P-C4' energy: -142.623 flat angles P-C4'-P energy: -80.524 tors. eta vs tors. theta energy: -172.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1771.490419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.490419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.490419 (E_RNA) where: Base-Base interactions energy: -1188.163 where: short stacking energy: -502.234 Base-Backbone interact. energy: -3.862 local terms energy: -579.465605 where: bonds (distance) C4'-P energy: -116.106 bonds (distance) P-C4' energy: -127.489 flat angles C4'-P-C4' energy: -125.046 flat angles P-C4'-P energy: -67.371 tors. eta vs tors. theta energy: -143.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1750.575665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.575665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.575665 (E_RNA) where: Base-Base interactions energy: -1151.007 where: short stacking energy: -499.805 Base-Backbone interact. energy: -0.265 local terms energy: -599.303358 where: bonds (distance) C4'-P energy: -124.325 bonds (distance) P-C4' energy: -123.348 flat angles C4'-P-C4' energy: -141.276 flat angles P-C4'-P energy: -72.124 tors. eta vs tors. theta energy: -138.230 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: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1593.413891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.413891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.413891 (E_RNA) where: Base-Base interactions energy: -1082.834 where: short stacking energy: -465.853 Base-Backbone interact. energy: -1.630 local terms energy: -508.949790 where: bonds (distance) C4'-P energy: -107.531 bonds (distance) P-C4' energy: -88.680 flat angles C4'-P-C4' energy: -133.138 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -110.387 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: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1550.824999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.824999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.824999 (E_RNA) where: Base-Base interactions energy: -1008.356 where: short stacking energy: -474.102 Base-Backbone interact. energy: 0.086 local terms energy: -542.554551 where: bonds (distance) C4'-P energy: -105.673 bonds (distance) P-C4' energy: -113.238 flat angles C4'-P-C4' energy: -123.966 flat angles P-C4'-P energy: -67.866 tors. eta vs tors. theta energy: -131.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1221.637118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.637118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.637118 (E_RNA) where: Base-Base interactions energy: -747.865 where: short stacking energy: -361.981 Base-Backbone interact. energy: -0.308 local terms energy: -473.464209 where: bonds (distance) C4'-P energy: -102.122 bonds (distance) P-C4' energy: -115.277 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -66.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -738.940317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.940317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.940317 (E_RNA) where: Base-Base interactions energy: -361.201 where: short stacking energy: -246.871 Base-Backbone interact. energy: 1.554 local terms energy: -379.293029 where: bonds (distance) C4'-P energy: -96.011 bonds (distance) P-C4' energy: -111.440 flat angles C4'-P-C4' energy: -102.485 flat angles P-C4'-P energy: -41.285 tors. eta vs tors. theta energy: -28.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -667.629390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.629390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.629390 (E_RNA) where: Base-Base interactions energy: -339.530 where: short stacking energy: -207.367 Base-Backbone interact. energy: 0.026 local terms energy: -328.125753 where: bonds (distance) C4'-P energy: -90.242 bonds (distance) P-C4' energy: -88.429 flat angles C4'-P-C4' energy: -96.490 flat angles P-C4'-P energy: -56.390 tors. eta vs tors. theta energy: 3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -565.220968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.220968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.220968 (E_RNA) where: Base-Base interactions energy: -245.819 where: short stacking energy: -158.610 Base-Backbone interact. energy: -2.453 local terms energy: -316.948754 where: bonds (distance) C4'-P energy: -81.744 bonds (distance) P-C4' energy: -113.799 flat angles C4'-P-C4' energy: -88.523 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: 29.987 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: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2116.615870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.615870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.615870 (E_RNA) where: Base-Base interactions energy: -1459.583 where: short stacking energy: -629.030 Base-Backbone interact. energy: -5.440 local terms energy: -651.592410 where: bonds (distance) C4'-P energy: -123.811 bonds (distance) P-C4' energy: -120.479 flat angles C4'-P-C4' energy: -139.181 flat angles P-C4'-P energy: -91.619 tors. eta vs tors. theta energy: -176.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2037.185242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.185242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.185242 (E_RNA) where: Base-Base interactions energy: -1385.491 where: short stacking energy: -583.566 Base-Backbone interact. energy: -4.630 local terms energy: -647.064064 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -120.576 flat angles C4'-P-C4' energy: -136.747 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -166.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1850.033753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.033753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.033753 (E_RNA) where: Base-Base interactions energy: -1241.197 where: short stacking energy: -576.430 Base-Backbone interact. energy: -4.501 local terms energy: -604.335531 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -127.826 flat angles C4'-P-C4' energy: -136.441 flat angles P-C4'-P energy: -75.213 tors. eta vs tors. theta energy: -157.537 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: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1742.582720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.582720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.582720 (E_RNA) where: Base-Base interactions energy: -1146.284 where: short stacking energy: -516.876 Base-Backbone interact. energy: -4.480 local terms energy: -591.818837 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -132.269 flat angles C4'-P-C4' energy: -123.077 flat angles P-C4'-P energy: -98.803 tors. eta vs tors. theta energy: -135.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1635.855010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.855010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.855010 (E_RNA) where: Base-Base interactions energy: -1079.791 where: short stacking energy: -481.703 Base-Backbone interact. energy: 0.696 local terms energy: -556.760093 where: bonds (distance) C4'-P energy: -101.896 bonds (distance) P-C4' energy: -118.834 flat angles C4'-P-C4' energy: -128.019 flat angles P-C4'-P energy: -77.533 tors. eta vs tors. theta energy: -130.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1494.415221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.415221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.415221 (E_RNA) where: Base-Base interactions energy: -982.330 where: short stacking energy: -458.746 Base-Backbone interact. energy: -1.994 local terms energy: -510.091410 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -113.961 flat angles C4'-P-C4' energy: -116.841 flat angles P-C4'-P energy: -79.543 tors. eta vs tors. theta energy: -109.365 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: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1226.012561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.012561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.012561 (E_RNA) where: Base-Base interactions energy: -761.544 where: short stacking energy: -377.301 Base-Backbone interact. energy: 0.289 local terms energy: -464.757967 where: bonds (distance) C4'-P energy: -118.317 bonds (distance) P-C4' energy: -118.021 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -75.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -772.494855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.494855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.494855 (E_RNA) where: Base-Base interactions energy: -381.766 where: short stacking energy: -238.319 Base-Backbone interact. energy: 2.641 local terms energy: -393.370095 where: bonds (distance) C4'-P energy: -108.186 bonds (distance) P-C4' energy: -117.759 flat angles C4'-P-C4' energy: -97.402 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -9.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -691.683217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.683217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.683217 (E_RNA) where: Base-Base interactions energy: -329.833 where: short stacking energy: -189.503 Base-Backbone interact. energy: 4.685 local terms energy: -366.535498 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -96.278 flat angles C4'-P-C4' energy: -94.845 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -1.153 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: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -523.190567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.190567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.190567 (E_RNA) where: Base-Base interactions energy: -225.844 where: short stacking energy: -155.652 Base-Backbone interact. energy: -1.065 local terms energy: -296.281848 where: bonds (distance) C4'-P energy: -97.743 bonds (distance) P-C4' energy: -114.359 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -42.133 tors. eta vs tors. theta energy: 31.828 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: 96 Temperature: 0.900000 Total energy: -2129.074338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.074338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.074338 (E_RNA) where: Base-Base interactions energy: -1501.331 where: short stacking energy: -611.700 Base-Backbone interact. energy: -2.840 local terms energy: -624.903146 where: bonds (distance) C4'-P energy: -121.064 bonds (distance) P-C4' energy: -124.926 flat angles C4'-P-C4' energy: -128.460 flat angles P-C4'-P energy: -83.680 tors. eta vs tors. theta energy: -166.774 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: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2046.506769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.506769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.506769 (E_RNA) where: Base-Base interactions energy: -1405.138 where: short stacking energy: -613.213 Base-Backbone interact. energy: -4.438 local terms energy: -636.931185 where: bonds (distance) C4'-P energy: -121.308 bonds (distance) P-C4' energy: -126.125 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -84.002 tors. eta vs tors. theta energy: -176.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1865.247727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.247727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.247727 (E_RNA) where: Base-Base interactions energy: -1271.109 where: short stacking energy: -545.665 Base-Backbone interact. energy: -4.688 local terms energy: -589.450627 where: bonds (distance) C4'-P energy: -103.584 bonds (distance) P-C4' energy: -117.482 flat angles C4'-P-C4' energy: -137.901 flat angles P-C4'-P energy: -74.158 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: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1697.338755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.338755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.338755 (E_RNA) where: Base-Base interactions energy: -1114.216 where: short stacking energy: -489.498 Base-Backbone interact. energy: -0.935 local terms energy: -582.188245 where: bonds (distance) C4'-P energy: -116.612 bonds (distance) P-C4' energy: -122.770 flat angles C4'-P-C4' energy: -129.036 flat angles P-C4'-P energy: -81.543 tors. eta vs tors. theta energy: -132.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1623.484897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.484897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.484897 (E_RNA) where: Base-Base interactions energy: -1080.589 where: short stacking energy: -480.978 Base-Backbone interact. energy: -1.467 local terms energy: -541.428862 where: bonds (distance) C4'-P energy: -103.300 bonds (distance) P-C4' energy: -109.217 flat angles C4'-P-C4' energy: -127.436 flat angles P-C4'-P energy: -71.616 tors. eta vs tors. theta energy: -129.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1533.887625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.887625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.887625 (E_RNA) where: Base-Base interactions energy: -1017.957 where: short stacking energy: -450.654 Base-Backbone interact. energy: -1.574 local terms energy: -514.357130 where: bonds (distance) C4'-P energy: -93.878 bonds (distance) P-C4' energy: -105.402 flat angles C4'-P-C4' energy: -125.942 flat angles P-C4'-P energy: -72.082 tors. eta vs tors. theta energy: -117.053 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: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1221.987419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.987419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.987419 (E_RNA) where: Base-Base interactions energy: -760.939 where: short stacking energy: -358.463 Base-Backbone interact. energy: -0.257 local terms energy: -460.791046 where: bonds (distance) C4'-P energy: -98.825 bonds (distance) P-C4' energy: -104.419 flat angles C4'-P-C4' energy: -111.731 flat angles P-C4'-P energy: -65.313 tors. eta vs tors. theta energy: -80.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -738.864455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.864455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.864455 (E_RNA) where: Base-Base interactions energy: -369.533 where: short stacking energy: -229.749 Base-Backbone interact. energy: 0.609 local terms energy: -369.940162 where: bonds (distance) C4'-P energy: -101.688 bonds (distance) P-C4' energy: -103.752 flat angles C4'-P-C4' energy: -97.126 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -21.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -698.865848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.865848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.865848 (E_RNA) where: Base-Base interactions energy: -336.636 where: short stacking energy: -207.231 Base-Backbone interact. energy: 1.328 local terms energy: -363.558531 where: bonds (distance) C4'-P energy: -96.532 bonds (distance) P-C4' energy: -102.741 flat angles C4'-P-C4' energy: -103.531 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -540.599495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.599495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.599495 (E_RNA) where: Base-Base interactions energy: -196.434 where: short stacking energy: -144.223 Base-Backbone interact. energy: 0.364 local terms energy: -344.529136 where: bonds (distance) C4'-P energy: -99.088 bonds (distance) P-C4' energy: -118.044 flat angles C4'-P-C4' energy: -98.370 flat angles P-C4'-P energy: -50.051 tors. eta vs tors. theta energy: 21.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2130.197863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.197863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.197863 (E_RNA) where: Base-Base interactions energy: -1499.635 where: short stacking energy: -632.863 Base-Backbone interact. energy: 0.989 local terms energy: -631.551466 where: bonds (distance) C4'-P energy: -104.203 bonds (distance) P-C4' energy: -129.509 flat angles C4'-P-C4' energy: -150.945 flat angles P-C4'-P energy: -83.801 tors. eta vs tors. theta energy: -163.093 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: 97 Temperature: 0.950000 Total energy: -2034.291511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.291511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.291511 (E_RNA) where: Base-Base interactions energy: -1386.954 where: short stacking energy: -575.782 Base-Backbone interact. energy: -3.302 local terms energy: -644.035513 where: bonds (distance) C4'-P energy: -127.206 bonds (distance) P-C4' energy: -134.329 flat angles C4'-P-C4' energy: -126.692 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -166.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1860.067498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.067498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.067498 (E_RNA) where: Base-Base interactions energy: -1245.232 where: short stacking energy: -527.582 Base-Backbone interact. energy: -3.641 local terms energy: -611.194678 where: bonds (distance) C4'-P energy: -115.193 bonds (distance) P-C4' energy: -126.268 flat angles C4'-P-C4' energy: -131.687 flat angles P-C4'-P energy: -82.634 tors. eta vs tors. theta energy: -155.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1689.201955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.201955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.201955 (E_RNA) where: Base-Base interactions energy: -1116.992 where: short stacking energy: -513.582 Base-Backbone interact. energy: -1.224 local terms energy: -570.985495 where: bonds (distance) C4'-P energy: -110.198 bonds (distance) P-C4' energy: -109.395 flat angles C4'-P-C4' energy: -141.971 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -129.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1639.158776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.158776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.158776 (E_RNA) where: Base-Base interactions energy: -1078.584 where: short stacking energy: -494.280 Base-Backbone interact. energy: -2.346 local terms energy: -558.228641 where: bonds (distance) C4'-P energy: -110.040 bonds (distance) P-C4' energy: -120.523 flat angles C4'-P-C4' energy: -134.758 flat angles P-C4'-P energy: -67.368 tors. eta vs tors. theta energy: -125.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1530.838803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.838803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.838803 (E_RNA) where: Base-Base interactions energy: -1005.919 where: short stacking energy: -467.178 Base-Backbone interact. energy: 5.868 local terms energy: -530.787936 where: bonds (distance) C4'-P energy: -119.322 bonds (distance) P-C4' energy: -113.700 flat angles C4'-P-C4' energy: -106.005 flat angles P-C4'-P energy: -72.828 tors. eta vs tors. theta energy: -118.934 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: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1186.096965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.096965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.096965 (E_RNA) where: Base-Base interactions energy: -739.801 where: short stacking energy: -345.754 Base-Backbone interact. energy: -2.297 local terms energy: -443.999469 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -108.977 flat angles C4'-P-C4' energy: -106.455 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -57.810 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: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -741.799902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.799902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.799902 (E_RNA) where: Base-Base interactions energy: -365.177 where: short stacking energy: -177.361 Base-Backbone interact. energy: -1.866 local terms energy: -374.756903 where: bonds (distance) C4'-P energy: -95.935 bonds (distance) P-C4' energy: -100.046 flat angles C4'-P-C4' energy: -106.480 flat angles P-C4'-P energy: -61.491 tors. eta vs tors. theta energy: -10.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -723.380678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.380678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.380678 (E_RNA) where: Base-Base interactions energy: -369.155 where: short stacking energy: -212.579 Base-Backbone interact. energy: 0.263 local terms energy: -354.488397 where: bonds (distance) C4'-P energy: -119.751 bonds (distance) P-C4' energy: -114.436 flat angles C4'-P-C4' energy: -85.669 flat angles P-C4'-P energy: -37.611 tors. eta vs tors. theta energy: 2.979 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: 10, replica: 2 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -518.939158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.939158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.939158 (E_RNA) where: Base-Base interactions energy: -207.279 where: short stacking energy: -137.565 Base-Backbone interact. energy: -2.771 local terms energy: -308.888743 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -102.250 flat angles C4'-P-C4' energy: -87.688 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: 30.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2144.147489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.147489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.147489 (E_RNA) where: Base-Base interactions energy: -1484.684 where: short stacking energy: -622.238 Base-Backbone interact. energy: -5.725 local terms energy: -653.738004 where: bonds (distance) C4'-P energy: -124.023 bonds (distance) P-C4' energy: -114.269 flat angles C4'-P-C4' energy: -141.490 flat angles P-C4'-P energy: -100.506 tors. eta vs tors. theta energy: -173.449 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: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2001.614127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.614127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.614127 (E_RNA) where: Base-Base interactions energy: -1365.351 where: short stacking energy: -560.540 Base-Backbone interact. energy: -5.654 local terms energy: -630.608452 where: bonds (distance) C4'-P energy: -137.187 bonds (distance) P-C4' energy: -110.409 flat angles C4'-P-C4' energy: -131.108 flat angles P-C4'-P energy: -92.159 tors. eta vs tors. theta energy: -159.745 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: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1819.740103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.740103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.740103 (E_RNA) where: Base-Base interactions energy: -1203.250 where: short stacking energy: -547.494 Base-Backbone interact. energy: 3.826 local terms energy: -620.316429 where: bonds (distance) C4'-P energy: -110.696 bonds (distance) P-C4' energy: -125.688 flat angles C4'-P-C4' energy: -141.334 flat angles P-C4'-P energy: -85.865 tors. eta vs tors. theta energy: -156.734 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: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1737.670376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.670376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.670376 (E_RNA) where: Base-Base interactions energy: -1179.337 where: short stacking energy: -527.762 Base-Backbone interact. energy: 0.643 local terms energy: -558.976634 where: bonds (distance) C4'-P energy: -102.874 bonds (distance) P-C4' energy: -108.255 flat angles C4'-P-C4' energy: -124.294 flat angles P-C4'-P energy: -80.913 tors. eta vs tors. theta energy: -142.641 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: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1670.784885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.784885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.784885 (E_RNA) where: Base-Base interactions energy: -1101.432 where: short stacking energy: -502.959 Base-Backbone interact. energy: 0.860 local terms energy: -570.212551 where: bonds (distance) C4'-P energy: -99.329 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -119.929 flat angles P-C4'-P energy: -93.902 tors. eta vs tors. theta energy: -130.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1544.164572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.164572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.164572 (E_RNA) where: Base-Base interactions energy: -1019.337 where: short stacking energy: -443.720 Base-Backbone interact. energy: 0.492 local terms energy: -525.320080 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -94.394 flat angles C4'-P-C4' energy: -134.181 flat angles P-C4'-P energy: -70.120 tors. eta vs tors. theta energy: -122.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1158.449177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.449177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.449177 (E_RNA) where: Base-Base interactions energy: -711.380 where: short stacking energy: -351.339 Base-Backbone interact. energy: 2.242 local terms energy: -449.311442 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -94.188 flat angles P-C4'-P energy: -68.620 tors. eta vs tors. theta energy: -69.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -763.490604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.490604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.490604 (E_RNA) where: Base-Base interactions energy: -403.746 where: short stacking energy: -233.089 Base-Backbone interact. energy: -1.351 local terms energy: -358.393892 where: bonds (distance) C4'-P energy: -104.844 bonds (distance) P-C4' energy: -97.304 flat angles C4'-P-C4' energy: -88.833 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -25.520 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: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -751.247806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.247806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.247806 (E_RNA) where: Base-Base interactions energy: -360.714 where: short stacking energy: -180.278 Base-Backbone interact. energy: -2.996 local terms energy: -387.538504 where: bonds (distance) C4'-P energy: -108.100 bonds (distance) P-C4' energy: -118.949 flat angles C4'-P-C4' energy: -114.284 flat angles P-C4'-P energy: -54.649 tors. eta vs tors. theta energy: 8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -502.820551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.820551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.820551 (E_RNA) where: Base-Base interactions energy: -175.266 where: short stacking energy: -126.394 Base-Backbone interact. energy: -0.423 local terms energy: -327.131297 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -111.095 flat angles C4'-P-C4' energy: -88.778 flat angles P-C4'-P energy: -59.686 tors. eta vs tors. theta energy: 19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2166.641832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.641832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.641832 (E_RNA) where: Base-Base interactions energy: -1468.377 where: short stacking energy: -631.174 Base-Backbone interact. energy: -3.690 local terms energy: -694.575388 where: bonds (distance) C4'-P energy: -134.488 bonds (distance) P-C4' energy: -132.012 flat angles C4'-P-C4' energy: -150.274 flat angles P-C4'-P energy: -96.252 tors. eta vs tors. theta energy: -181.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2005.641754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.641754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.641754 (E_RNA) where: Base-Base interactions energy: -1351.906 where: short stacking energy: -581.282 Base-Backbone interact. energy: -4.614 local terms energy: -649.122259 where: bonds (distance) C4'-P energy: -110.827 bonds (distance) P-C4' energy: -122.367 flat angles C4'-P-C4' energy: -143.889 flat angles P-C4'-P energy: -106.330 tors. eta vs tors. theta energy: -165.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1900.237511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.237511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.237511 (E_RNA) where: Base-Base interactions energy: -1264.895 where: short stacking energy: -586.827 Base-Backbone interact. energy: -1.232 local terms energy: -634.110980 where: bonds (distance) C4'-P energy: -112.128 bonds (distance) P-C4' energy: -133.012 flat angles C4'-P-C4' energy: -130.451 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -169.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1793.219403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.219403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.219403 (E_RNA) where: Base-Base interactions energy: -1198.062 where: short stacking energy: -544.721 Base-Backbone interact. energy: -1.291 local terms energy: -593.866069 where: bonds (distance) C4'-P energy: -119.863 bonds (distance) P-C4' energy: -118.078 flat angles C4'-P-C4' energy: -127.541 flat angles P-C4'-P energy: -73.508 tors. eta vs tors. theta energy: -154.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1674.316098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.316098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.316098 (E_RNA) where: Base-Base interactions energy: -1120.452 where: short stacking energy: -500.170 Base-Backbone interact. energy: 3.820 local terms energy: -557.684436 where: bonds (distance) C4'-P energy: -117.335 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -123.677 flat angles P-C4'-P energy: -69.272 tors. eta vs tors. theta energy: -123.234 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: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1542.205401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.205401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.205401 (E_RNA) where: Base-Base interactions energy: -1008.045 where: short stacking energy: -443.303 Base-Backbone interact. energy: -2.468 local terms energy: -531.692836 where: bonds (distance) C4'-P energy: -116.216 bonds (distance) P-C4' energy: -116.726 flat angles C4'-P-C4' energy: -117.216 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -112.362 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: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1171.898133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.898133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.898133 (E_RNA) where: Base-Base interactions energy: -737.370 where: short stacking energy: -358.983 Base-Backbone interact. energy: -1.225 local terms energy: -433.303425 where: bonds (distance) C4'-P energy: -91.296 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -107.854 flat angles P-C4'-P energy: -57.080 tors. eta vs tors. theta energy: -61.816 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: 99 Temperature: 1.250000 Total energy: -805.563014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.563014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.563014 (E_RNA) where: Base-Base interactions energy: -407.667 where: short stacking energy: -232.537 Base-Backbone interact. energy: -2.405 local terms energy: -395.490599 where: bonds (distance) C4'-P energy: -90.885 bonds (distance) P-C4' energy: -116.263 flat angles C4'-P-C4' energy: -117.033 flat angles P-C4'-P energy: -60.174 tors. eta vs tors. theta energy: -11.135 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: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -709.416625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.416625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.416625 (E_RNA) where: Base-Base interactions energy: -348.196 where: short stacking energy: -211.791 Base-Backbone interact. energy: 2.298 local terms energy: -363.518041 where: bonds (distance) C4'-P energy: -107.617 bonds (distance) P-C4' energy: -114.568 flat angles C4'-P-C4' energy: -89.820 flat angles P-C4'-P energy: -36.080 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -481.640068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.640068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.640068 (E_RNA) where: Base-Base interactions energy: -136.622 where: short stacking energy: -115.840 Base-Backbone interact. energy: -2.148 local terms energy: -342.870212 where: bonds (distance) C4'-P energy: -102.997 bonds (distance) P-C4' energy: -118.245 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: 14.351 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: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2148.871317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.871317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.871317 (E_RNA) where: Base-Base interactions energy: -1462.492 where: short stacking energy: -623.684 Base-Backbone interact. energy: -3.842 local terms energy: -682.538120 where: bonds (distance) C4'-P energy: -124.229 bonds (distance) P-C4' energy: -138.312 flat angles C4'-P-C4' energy: -140.798 flat angles P-C4'-P energy: -98.754 tors. eta vs tors. theta energy: -180.445 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: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2050.211850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.211850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.211850 (E_RNA) where: Base-Base interactions energy: -1397.530 where: short stacking energy: -585.801 Base-Backbone interact. energy: -1.116 local terms energy: -651.566168 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -136.590 flat angles C4'-P-C4' energy: -132.162 flat angles P-C4'-P energy: -96.075 tors. eta vs tors. theta energy: -170.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1915.975285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.975285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.975285 (E_RNA) where: Base-Base interactions energy: -1278.746 where: short stacking energy: -574.008 Base-Backbone interact. energy: -0.928 local terms energy: -636.300611 where: bonds (distance) C4'-P energy: -127.852 bonds (distance) P-C4' energy: -126.699 flat angles C4'-P-C4' energy: -136.229 flat angles P-C4'-P energy: -77.443 tors. eta vs tors. theta energy: -168.077 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: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1757.769879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.769879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.769879 (E_RNA) where: Base-Base interactions energy: -1190.069 where: short stacking energy: -512.177 Base-Backbone interact. energy: -3.861 local terms energy: -563.840136 where: bonds (distance) C4'-P energy: -94.578 bonds (distance) P-C4' energy: -115.466 flat angles C4'-P-C4' energy: -139.965 flat angles P-C4'-P energy: -81.534 tors. eta vs tors. theta energy: -132.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1653.741026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.741026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.741026 (E_RNA) where: Base-Base interactions energy: -1057.655 where: short stacking energy: -478.223 Base-Backbone interact. energy: -3.622 local terms energy: -592.463837 where: bonds (distance) C4'-P energy: -122.788 bonds (distance) P-C4' energy: -114.756 flat angles C4'-P-C4' energy: -124.870 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -138.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1486.860868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.860868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.860868 (E_RNA) where: Base-Base interactions energy: -960.370 where: short stacking energy: -429.671 Base-Backbone interact. energy: 1.053 local terms energy: -527.543844 where: bonds (distance) C4'-P energy: -105.165 bonds (distance) P-C4' energy: -101.503 flat angles C4'-P-C4' energy: -129.292 flat angles P-C4'-P energy: -78.481 tors. eta vs tors. theta energy: -113.102 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: 1 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1208.454908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.454908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.454908 (E_RNA) where: Base-Base interactions energy: -723.549 where: short stacking energy: -370.976 Base-Backbone interact. energy: -0.546 local terms energy: -484.359876 where: bonds (distance) C4'-P energy: -105.614 bonds (distance) P-C4' energy: -120.907 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: -64.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -780.633405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.633405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.633405 (E_RNA) where: Base-Base interactions energy: -382.202 where: short stacking energy: -238.484 Base-Backbone interact. energy: 0.754 local terms energy: -399.184913 where: bonds (distance) C4'-P energy: -90.353 bonds (distance) P-C4' energy: -119.762 flat angles C4'-P-C4' energy: -98.676 flat angles P-C4'-P energy: -70.059 tors. eta vs tors. theta energy: -20.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -695.888402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.888402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.888402 (E_RNA) where: Base-Base interactions energy: -342.250 where: short stacking energy: -200.230 Base-Backbone interact. energy: -0.500 local terms energy: -353.138361 where: bonds (distance) C4'-P energy: -99.460 bonds (distance) P-C4' energy: -105.688 flat angles C4'-P-C4' energy: -100.381 flat angles P-C4'-P energy: -45.846 tors. eta vs tors. theta energy: -1.764 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: 10, replica: 2 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -492.003899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.003899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.003899 (E_RNA) where: Base-Base interactions energy: -180.996 where: short stacking energy: -167.303 Base-Backbone interact. energy: 5.935 local terms energy: -316.942107 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -100.531 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -55.788 tors. eta vs tors. theta energy: 6.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2122.531572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.531572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.531572 (E_RNA) where: Base-Base interactions energy: -1459.165 where: short stacking energy: -612.816 Base-Backbone interact. energy: -0.075 local terms energy: -663.291466 where: bonds (distance) C4'-P energy: -127.883 bonds (distance) P-C4' energy: -133.868 flat angles C4'-P-C4' energy: -142.189 flat angles P-C4'-P energy: -84.352 tors. eta vs tors. theta energy: -175.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2035.319068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.319068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.319068 (E_RNA) where: Base-Base interactions energy: -1409.128 where: short stacking energy: -592.611 Base-Backbone interact. energy: -6.405 local terms energy: -619.785512 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -134.587 flat angles P-C4'-P energy: -68.606 tors. eta vs tors. theta energy: -171.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1948.846528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.846528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.846528 (E_RNA) where: Base-Base interactions energy: -1318.057 where: short stacking energy: -570.610 Base-Backbone interact. energy: -1.509 local terms energy: -629.280133 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -126.557 flat angles C4'-P-C4' energy: -131.872 flat angles P-C4'-P energy: -86.981 tors. eta vs tors. theta energy: -166.647 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: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1720.909183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.909183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.909183 (E_RNA) where: Base-Base interactions energy: -1196.415 where: short stacking energy: -505.729 Base-Backbone interact. energy: -0.819 local terms energy: -523.675456 where: bonds (distance) C4'-P energy: -96.736 bonds (distance) P-C4' energy: -124.230 flat angles C4'-P-C4' energy: -115.929 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -124.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1677.005172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.005172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.005172 (E_RNA) where: Base-Base interactions energy: -1108.163 where: short stacking energy: -479.105 Base-Backbone interact. energy: 1.359 local terms energy: -570.201079 where: bonds (distance) C4'-P energy: -130.016 bonds (distance) P-C4' energy: -113.837 flat angles C4'-P-C4' energy: -139.871 flat angles P-C4'-P energy: -55.874 tors. eta vs tors. theta energy: -130.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1414.819456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.819456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.819456 (E_RNA) where: Base-Base interactions energy: -933.623 where: short stacking energy: -419.384 Base-Backbone interact. energy: 1.744 local terms energy: -482.939816 where: bonds (distance) C4'-P energy: -92.670 bonds (distance) P-C4' energy: -105.057 flat angles C4'-P-C4' energy: -117.692 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -101.629 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: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1234.047804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.047804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.047804 (E_RNA) where: Base-Base interactions energy: -754.395 where: short stacking energy: -387.137 Base-Backbone interact. energy: -0.663 local terms energy: -478.989447 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -114.252 flat angles C4'-P-C4' energy: -99.150 flat angles P-C4'-P energy: -75.249 tors. eta vs tors. theta energy: -74.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -771.807598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.807598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.807598 (E_RNA) where: Base-Base interactions energy: -371.802 where: short stacking energy: -244.928 Base-Backbone interact. energy: -1.421 local terms energy: -398.584518 where: bonds (distance) C4'-P energy: -113.059 bonds (distance) P-C4' energy: -106.326 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -25.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -758.891730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.891730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.891730 (E_RNA) where: Base-Base interactions energy: -385.890 where: short stacking energy: -222.753 Base-Backbone interact. energy: -0.971 local terms energy: -372.030740 where: bonds (distance) C4'-P energy: -97.262 bonds (distance) P-C4' energy: -115.258 flat angles C4'-P-C4' energy: -101.448 flat angles P-C4'-P energy: -54.568 tors. eta vs tors. theta energy: -3.495 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: 2 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -501.013356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.013356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.013356 (E_RNA) where: Base-Base interactions energy: -210.521 where: short stacking energy: -134.910 Base-Backbone interact. energy: -3.584 local terms energy: -286.908556 where: bonds (distance) C4'-P energy: -91.183 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -29.591 tors. eta vs tors. theta energy: 36.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2118.548594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.548594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.548594 (E_RNA) where: Base-Base interactions energy: -1438.362 where: short stacking energy: -595.506 Base-Backbone interact. energy: -3.884 local terms energy: -676.303138 where: bonds (distance) C4'-P energy: -136.401 bonds (distance) P-C4' energy: -132.066 flat angles C4'-P-C4' energy: -140.384 flat angles P-C4'-P energy: -90.759 tors. eta vs tors. theta energy: -176.693 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: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2017.058337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.058337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.058337 (E_RNA) where: Base-Base interactions energy: -1389.839 where: short stacking energy: -607.634 Base-Backbone interact. energy: -5.464 local terms energy: -621.755251 where: bonds (distance) C4'-P energy: -117.892 bonds (distance) P-C4' energy: -122.358 flat angles C4'-P-C4' energy: -130.095 flat angles P-C4'-P energy: -82.374 tors. eta vs tors. theta energy: -169.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1923.699338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.699338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.699338 (E_RNA) where: Base-Base interactions energy: -1305.023 where: short stacking energy: -538.381 Base-Backbone interact. energy: 0.364 local terms energy: -619.040321 where: bonds (distance) C4'-P energy: -125.196 bonds (distance) P-C4' energy: -123.018 flat angles C4'-P-C4' energy: -140.179 flat angles P-C4'-P energy: -81.380 tors. eta vs tors. theta energy: -149.267 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: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1719.988268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.988268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.988268 (E_RNA) where: Base-Base interactions energy: -1133.700 where: short stacking energy: -487.763 Base-Backbone interact. energy: -3.750 local terms energy: -582.538061 where: bonds (distance) C4'-P energy: -101.341 bonds (distance) P-C4' energy: -118.197 flat angles C4'-P-C4' energy: -134.225 flat angles P-C4'-P energy: -86.433 tors. eta vs tors. theta energy: -142.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1602.253748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.253748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.253748 (E_RNA) where: Base-Base interactions energy: -1069.449 where: short stacking energy: -454.506 Base-Backbone interact. energy: 5.255 local terms energy: -538.058922 where: bonds (distance) C4'-P energy: -113.008 bonds (distance) P-C4' energy: -111.078 flat angles C4'-P-C4' energy: -127.849 flat angles P-C4'-P energy: -66.553 tors. eta vs tors. theta energy: -119.570 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: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1502.865266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.865266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.865266 (E_RNA) where: Base-Base interactions energy: -974.272 where: short stacking energy: -437.895 Base-Backbone interact. energy: 0.897 local terms energy: -529.490930 where: bonds (distance) C4'-P energy: -102.644 bonds (distance) P-C4' energy: -113.735 flat angles C4'-P-C4' energy: -128.654 flat angles P-C4'-P energy: -65.543 tors. eta vs tors. theta energy: -118.915 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: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1225.145924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.145924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.145924 (E_RNA) where: Base-Base interactions energy: -748.252 where: short stacking energy: -373.235 Base-Backbone interact. energy: -1.904 local terms energy: -474.990545 where: bonds (distance) C4'-P energy: -98.771 bonds (distance) P-C4' energy: -105.687 flat angles C4'-P-C4' energy: -117.899 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -74.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -812.150103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.150103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.150103 (E_RNA) where: Base-Base interactions energy: -463.851 where: short stacking energy: -250.003 Base-Backbone interact. energy: 1.510 local terms energy: -349.808697 where: bonds (distance) C4'-P energy: -96.385 bonds (distance) P-C4' energy: -95.634 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -49.116 tors. eta vs tors. theta energy: -24.354 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: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -793.586261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.586261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.586261 (E_RNA) where: Base-Base interactions energy: -420.063 where: short stacking energy: -237.011 Base-Backbone interact. energy: -2.094 local terms energy: -371.429637 where: bonds (distance) C4'-P energy: -97.530 bonds (distance) P-C4' energy: -98.560 flat angles C4'-P-C4' energy: -93.907 flat angles P-C4'-P energy: -61.641 tors. eta vs tors. theta energy: -19.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -496.781536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.781536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.781536 (E_RNA) where: Base-Base interactions energy: -173.044 where: short stacking energy: -139.714 Base-Backbone interact. energy: -2.014 local terms energy: -321.723426 where: bonds (distance) C4'-P energy: -92.505 bonds (distance) P-C4' energy: -109.700 flat angles C4'-P-C4' energy: -96.938 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: 26.501 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: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2109.764771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.764771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.764771 (E_RNA) where: Base-Base interactions energy: -1441.770 where: short stacking energy: -618.093 Base-Backbone interact. energy: -5.684 local terms energy: -662.310568 where: bonds (distance) C4'-P energy: -118.880 bonds (distance) P-C4' energy: -131.120 flat angles C4'-P-C4' energy: -139.933 flat angles P-C4'-P energy: -97.862 tors. eta vs tors. theta energy: -174.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2012.161689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.161689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.161689 (E_RNA) where: Base-Base interactions energy: -1364.595 where: short stacking energy: -581.069 Base-Backbone interact. energy: -3.967 local terms energy: -643.599660 where: bonds (distance) C4'-P energy: -122.576 bonds (distance) P-C4' energy: -129.442 flat angles C4'-P-C4' energy: -128.074 flat angles P-C4'-P energy: -89.576 tors. eta vs tors. theta energy: -173.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1960.120550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.120550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.120550 (E_RNA) where: Base-Base interactions energy: -1335.831 where: short stacking energy: -588.999 Base-Backbone interact. energy: 4.481 local terms energy: -628.770924 where: bonds (distance) C4'-P energy: -108.700 bonds (distance) P-C4' energy: -116.936 flat angles C4'-P-C4' energy: -141.606 flat angles P-C4'-P energy: -86.402 tors. eta vs tors. theta energy: -175.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1742.663650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.663650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.663650 (E_RNA) where: Base-Base interactions energy: -1147.937 where: short stacking energy: -469.092 Base-Backbone interact. energy: 0.937 local terms energy: -595.663449 where: bonds (distance) C4'-P energy: -126.789 bonds (distance) P-C4' energy: -128.995 flat angles C4'-P-C4' energy: -135.276 flat angles P-C4'-P energy: -74.384 tors. eta vs tors. theta energy: -130.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1568.757429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.757429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.757429 (E_RNA) where: Base-Base interactions energy: -1044.959 where: short stacking energy: -479.331 Base-Backbone interact. energy: -2.416 local terms energy: -521.381590 where: bonds (distance) C4'-P energy: -112.150 bonds (distance) P-C4' energy: -99.856 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -60.172 tors. eta vs tors. theta energy: -127.670 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: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1456.168484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.168484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.168484 (E_RNA) where: Base-Base interactions energy: -935.182 where: short stacking energy: -407.937 Base-Backbone interact. energy: -0.415 local terms energy: -520.571385 where: bonds (distance) C4'-P energy: -117.605 bonds (distance) P-C4' energy: -114.075 flat angles C4'-P-C4' energy: -129.679 flat angles P-C4'-P energy: -65.561 tors. eta vs tors. theta energy: -93.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1225.126208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.126208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.126208 (E_RNA) where: Base-Base interactions energy: -758.233 where: short stacking energy: -355.039 Base-Backbone interact. energy: 0.056 local terms energy: -466.949281 where: bonds (distance) C4'-P energy: -101.168 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -103.833 flat angles P-C4'-P energy: -67.048 tors. eta vs tors. theta energy: -82.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -834.099176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.099176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.099176 (E_RNA) where: Base-Base interactions energy: -423.058 where: short stacking energy: -232.589 Base-Backbone interact. energy: 1.046 local terms energy: -412.087410 where: bonds (distance) C4'-P energy: -116.959 bonds (distance) P-C4' energy: -112.289 flat angles C4'-P-C4' energy: -106.441 flat angles P-C4'-P energy: -57.971 tors. eta vs tors. theta energy: -18.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -746.203130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.203130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.203130 (E_RNA) where: Base-Base interactions energy: -356.700 where: short stacking energy: -203.071 Base-Backbone interact. energy: 2.925 local terms energy: -392.428074 where: bonds (distance) C4'-P energy: -95.969 bonds (distance) P-C4' energy: -126.136 flat angles C4'-P-C4' energy: -102.554 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -533.806757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.806757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.806757 (E_RNA) where: Base-Base interactions energy: -197.060 where: short stacking energy: -142.397 Base-Backbone interact. energy: 2.162 local terms energy: -338.907993 where: bonds (distance) C4'-P energy: -104.238 bonds (distance) P-C4' energy: -113.038 flat angles C4'-P-C4' energy: -86.551 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: 15.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2137.893922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.893922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.893922 (E_RNA) where: Base-Base interactions energy: -1445.995 where: short stacking energy: -627.114 Base-Backbone interact. energy: -1.713 local terms energy: -690.185303 where: bonds (distance) C4'-P energy: -137.347 bonds (distance) P-C4' energy: -128.571 flat angles C4'-P-C4' energy: -146.519 flat angles P-C4'-P energy: -89.791 tors. eta vs tors. theta energy: -187.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1996.190577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.190577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.190577 (E_RNA) where: Base-Base interactions energy: -1356.984 where: short stacking energy: -544.963 Base-Backbone interact. energy: -6.770 local terms energy: -632.437397 where: bonds (distance) C4'-P energy: -115.440 bonds (distance) P-C4' energy: -123.381 flat angles C4'-P-C4' energy: -149.376 flat angles P-C4'-P energy: -76.768 tors. eta vs tors. theta energy: -167.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1917.951679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.951679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.951679 (E_RNA) where: Base-Base interactions energy: -1279.773 where: short stacking energy: -565.779 Base-Backbone interact. energy: 0.298 local terms energy: -638.477036 where: bonds (distance) C4'-P energy: -118.939 bonds (distance) P-C4' energy: -125.271 flat angles C4'-P-C4' energy: -135.565 flat angles P-C4'-P energy: -100.608 tors. eta vs tors. theta energy: -158.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1793.819380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.819380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.819380 (E_RNA) where: Base-Base interactions energy: -1178.318 where: short stacking energy: -515.306 Base-Backbone interact. energy: -2.410 local terms energy: -613.091810 where: bonds (distance) C4'-P energy: -121.681 bonds (distance) P-C4' energy: -126.056 flat angles C4'-P-C4' energy: -140.374 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -134.525 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: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1634.287034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.287034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.287034 (E_RNA) where: Base-Base interactions energy: -1065.144 where: short stacking energy: -494.142 Base-Backbone interact. energy: -3.702 local terms energy: -565.440863 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -127.278 flat angles C4'-P-C4' energy: -126.861 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -114.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1519.496378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.496378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.496378 (E_RNA) where: Base-Base interactions energy: -980.904 where: short stacking energy: -460.147 Base-Backbone interact. energy: -0.325 local terms energy: -538.266940 where: bonds (distance) C4'-P energy: -103.316 bonds (distance) P-C4' energy: -95.275 flat angles C4'-P-C4' energy: -139.420 flat angles P-C4'-P energy: -91.588 tors. eta vs tors. theta energy: -108.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1237.571822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.571822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.571822 (E_RNA) where: Base-Base interactions energy: -791.337 where: short stacking energy: -410.534 Base-Backbone interact. energy: -0.010 local terms energy: -446.225048 where: bonds (distance) C4'-P energy: -81.195 bonds (distance) P-C4' energy: -87.429 flat angles C4'-P-C4' energy: -110.697 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -86.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -777.244151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.244151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.244151 (E_RNA) where: Base-Base interactions energy: -393.143 where: short stacking energy: -231.013 Base-Backbone interact. energy: -2.636 local terms energy: -381.465512 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -96.115 flat angles C4'-P-C4' energy: -102.663 flat angles P-C4'-P energy: -66.205 tors. eta vs tors. theta energy: -12.127 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: 104 Temperature: 1.300000 Total energy: -735.522872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.522872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.522872 (E_RNA) where: Base-Base interactions energy: -364.481 where: short stacking energy: -230.813 Base-Backbone interact. energy: 1.442 local terms energy: -372.484270 where: bonds (distance) C4'-P energy: -96.533 bonds (distance) P-C4' energy: -105.932 flat angles C4'-P-C4' energy: -93.775 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -12.758 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: 2 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -553.597714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.597714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.597714 (E_RNA) where: Base-Base interactions energy: -242.155 where: short stacking energy: -173.324 Base-Backbone interact. energy: -0.769 local terms energy: -310.673186 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -100.246 flat angles C4'-P-C4' energy: -79.231 flat angles P-C4'-P energy: -45.183 tors. eta vs tors. theta energy: 5.479 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: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2138.032346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.032346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.032346 (E_RNA) where: Base-Base interactions energy: -1482.954 where: short stacking energy: -627.357 Base-Backbone interact. energy: -2.227 local terms energy: -652.850945 where: bonds (distance) C4'-P energy: -115.089 bonds (distance) P-C4' energy: -131.748 flat angles C4'-P-C4' energy: -139.966 flat angles P-C4'-P energy: -83.926 tors. eta vs tors. theta energy: -182.122 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: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1958.009434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.009434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.009434 (E_RNA) where: Base-Base interactions energy: -1309.836 where: short stacking energy: -590.501 Base-Backbone interact. energy: -1.826 local terms energy: -646.347411 where: bonds (distance) C4'-P energy: -112.007 bonds (distance) P-C4' energy: -136.909 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -92.827 tors. eta vs tors. theta energy: -163.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1973.311417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.311417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.311417 (E_RNA) where: Base-Base interactions energy: -1345.289 where: short stacking energy: -565.679 Base-Backbone interact. energy: 0.466 local terms energy: -628.488219 where: bonds (distance) C4'-P energy: -110.159 bonds (distance) P-C4' energy: -122.259 flat angles C4'-P-C4' energy: -139.298 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -163.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1686.282228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.282228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.282228 (E_RNA) where: Base-Base interactions energy: -1128.740 where: short stacking energy: -488.490 Base-Backbone interact. energy: -1.899 local terms energy: -555.643611 where: bonds (distance) C4'-P energy: -108.665 bonds (distance) P-C4' energy: -115.090 flat angles C4'-P-C4' energy: -127.405 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -131.712 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: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1597.648071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.648071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.648071 (E_RNA) where: Base-Base interactions energy: -1073.834 where: short stacking energy: -459.463 Base-Backbone interact. energy: -4.991 local terms energy: -518.823749 where: bonds (distance) C4'-P energy: -123.162 bonds (distance) P-C4' energy: -111.195 flat angles C4'-P-C4' energy: -118.040 flat angles P-C4'-P energy: -54.711 tors. eta vs tors. theta energy: -111.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1450.185634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.185634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.185634 (E_RNA) where: Base-Base interactions energy: -909.504 where: short stacking energy: -430.667 Base-Backbone interact. energy: -2.036 local terms energy: -538.645446 where: bonds (distance) C4'-P energy: -108.175 bonds (distance) P-C4' energy: -127.353 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -69.580 tors. eta vs tors. theta energy: -104.800 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: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1187.578567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.578567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.578567 (E_RNA) where: Base-Base interactions energy: -747.592 where: short stacking energy: -355.526 Base-Backbone interact. energy: 1.243 local terms energy: -441.229094 where: bonds (distance) C4'-P energy: -100.424 bonds (distance) P-C4' energy: -91.145 flat angles C4'-P-C4' energy: -111.137 flat angles P-C4'-P energy: -79.931 tors. eta vs tors. theta energy: -58.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -769.722540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.722540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.722540 (E_RNA) where: Base-Base interactions energy: -389.053 where: short stacking energy: -220.662 Base-Backbone interact. energy: 9.907 local terms energy: -390.576390 where: bonds (distance) C4'-P energy: -93.450 bonds (distance) P-C4' energy: -109.464 flat angles C4'-P-C4' energy: -95.304 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -16.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -721.753974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.753974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.753974 (E_RNA) where: Base-Base interactions energy: -343.686 where: short stacking energy: -195.900 Base-Backbone interact. energy: -1.639 local terms energy: -376.429304 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -117.491 flat angles C4'-P-C4' energy: -99.805 flat angles P-C4'-P energy: -60.861 tors. eta vs tors. theta energy: 7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -588.907814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.907814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.907814 (E_RNA) where: Base-Base interactions energy: -240.431 where: short stacking energy: -187.849 Base-Backbone interact. energy: 5.990 local terms energy: -354.466568 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -111.329 flat angles C4'-P-C4' energy: -93.730 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: 17.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2122.311172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.311172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.311172 (E_RNA) where: Base-Base interactions energy: -1470.041 where: short stacking energy: -621.124 Base-Backbone interact. energy: -2.664 local terms energy: -649.605664 where: bonds (distance) C4'-P energy: -113.740 bonds (distance) P-C4' energy: -129.385 flat angles C4'-P-C4' energy: -139.352 flat angles P-C4'-P energy: -91.573 tors. eta vs tors. theta energy: -175.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1956.722510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.722510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.722510 (E_RNA) where: Base-Base interactions energy: -1314.665 where: short stacking energy: -583.465 Base-Backbone interact. energy: -1.832 local terms energy: -640.225987 where: bonds (distance) C4'-P energy: -123.636 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -142.341 flat angles P-C4'-P energy: -89.268 tors. eta vs tors. theta energy: -179.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1975.063259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.063259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.063259 (E_RNA) where: Base-Base interactions energy: -1388.045 where: short stacking energy: -580.652 Base-Backbone interact. energy: -3.167 local terms energy: -583.850592 where: bonds (distance) C4'-P energy: -104.871 bonds (distance) P-C4' energy: -115.492 flat angles C4'-P-C4' energy: -131.366 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -162.791 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1703.435509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.435509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.435509 (E_RNA) where: Base-Base interactions energy: -1126.792 where: short stacking energy: -517.463 Base-Backbone interact. energy: -1.667 local terms energy: -574.976836 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -103.244 flat angles C4'-P-C4' energy: -133.985 flat angles P-C4'-P energy: -81.465 tors. eta vs tors. theta energy: -139.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1564.272376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.272376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.272376 (E_RNA) where: Base-Base interactions energy: -1021.515 where: short stacking energy: -464.463 Base-Backbone interact. energy: -0.229 local terms energy: -542.529238 where: bonds (distance) C4'-P energy: -113.041 bonds (distance) P-C4' energy: -119.970 flat angles C4'-P-C4' energy: -124.949 flat angles P-C4'-P energy: -80.231 tors. eta vs tors. theta energy: -104.338 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: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1441.962678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.962678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.962678 (E_RNA) where: Base-Base interactions energy: -922.778 where: short stacking energy: -418.943 Base-Backbone interact. energy: -1.956 local terms energy: -517.228719 where: bonds (distance) C4'-P energy: -99.382 bonds (distance) P-C4' energy: -121.743 flat angles C4'-P-C4' energy: -118.180 flat angles P-C4'-P energy: -76.535 tors. eta vs tors. theta energy: -101.388 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: 7, replica: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1221.108711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.108711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.108711 (E_RNA) where: Base-Base interactions energy: -765.765 where: short stacking energy: -351.384 Base-Backbone interact. energy: -0.546 local terms energy: -454.797398 where: bonds (distance) C4'-P energy: -97.120 bonds (distance) P-C4' energy: -124.317 flat angles C4'-P-C4' energy: -109.253 flat angles P-C4'-P energy: -67.426 tors. eta vs tors. theta energy: -56.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -762.536389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.536389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.536389 (E_RNA) where: Base-Base interactions energy: -369.597 where: short stacking energy: -244.505 Base-Backbone interact. energy: -1.975 local terms energy: -390.963904 where: bonds (distance) C4'-P energy: -112.263 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -104.051 flat angles P-C4'-P energy: -57.382 tors. eta vs tors. theta energy: -10.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -726.778934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.778934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.778934 (E_RNA) where: Base-Base interactions energy: -378.690 where: short stacking energy: -194.642 Base-Backbone interact. energy: 1.183 local terms energy: -349.272091 where: bonds (distance) C4'-P energy: -100.766 bonds (distance) P-C4' energy: -93.505 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -42.349 tors. eta vs tors. theta energy: -8.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -548.276797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.276797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.276797 (E_RNA) where: Base-Base interactions energy: -225.350 where: short stacking energy: -158.391 Base-Backbone interact. energy: 0.977 local terms energy: -323.904000 where: bonds (distance) C4'-P energy: -95.690 bonds (distance) P-C4' energy: -104.553 flat angles C4'-P-C4' energy: -92.450 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: 21.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2118.143513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.143513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.143513 (E_RNA) where: Base-Base interactions energy: -1443.475 where: short stacking energy: -604.754 Base-Backbone interact. energy: -5.529 local terms energy: -669.139609 where: bonds (distance) C4'-P energy: -116.481 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -141.949 flat angles P-C4'-P energy: -93.493 tors. eta vs tors. theta energy: -176.819 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: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2014.225211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.225211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.225211 (E_RNA) where: Base-Base interactions energy: -1373.602 where: short stacking energy: -566.329 Base-Backbone interact. energy: -2.875 local terms energy: -637.747416 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -121.412 flat angles C4'-P-C4' energy: -146.651 flat angles P-C4'-P energy: -91.817 tors. eta vs tors. theta energy: -165.773 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: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1917.758142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.758142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.758142 (E_RNA) where: Base-Base interactions energy: -1263.486 where: short stacking energy: -583.303 Base-Backbone interact. energy: -0.330 local terms energy: -653.942369 where: bonds (distance) C4'-P energy: -129.456 bonds (distance) P-C4' energy: -112.498 flat angles C4'-P-C4' energy: -139.851 flat angles P-C4'-P energy: -96.593 tors. eta vs tors. theta energy: -175.545 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: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1772.615176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.615176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.615176 (E_RNA) where: Base-Base interactions energy: -1196.548 where: short stacking energy: -500.329 Base-Backbone interact. energy: -0.427 local terms energy: -575.639528 where: bonds (distance) C4'-P energy: -93.875 bonds (distance) P-C4' energy: -119.892 flat angles C4'-P-C4' energy: -131.905 flat angles P-C4'-P energy: -97.405 tors. eta vs tors. theta energy: -132.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1578.518524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.518524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.518524 (E_RNA) where: Base-Base interactions energy: -1062.232 where: short stacking energy: -445.973 Base-Backbone interact. energy: -2.218 local terms energy: -514.068338 where: bonds (distance) C4'-P energy: -124.283 bonds (distance) P-C4' energy: -118.165 flat angles C4'-P-C4' energy: -112.190 flat angles P-C4'-P energy: -59.715 tors. eta vs tors. theta energy: -99.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1468.569454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.569454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.569454 (E_RNA) where: Base-Base interactions energy: -962.609 where: short stacking energy: -449.645 Base-Backbone interact. energy: -1.530 local terms energy: -504.430613 where: bonds (distance) C4'-P energy: -97.779 bonds (distance) P-C4' energy: -110.948 flat angles C4'-P-C4' energy: -113.636 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -100.913 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: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1128.549040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.549040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.549040 (E_RNA) where: Base-Base interactions energy: -664.909 where: short stacking energy: -336.843 Base-Backbone interact. energy: 6.083 local terms energy: -469.722455 where: bonds (distance) C4'-P energy: -119.341 bonds (distance) P-C4' energy: -119.901 flat angles C4'-P-C4' energy: -116.755 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -46.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -813.517467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.517467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.517467 (E_RNA) where: Base-Base interactions energy: -440.177 where: short stacking energy: -263.158 Base-Backbone interact. energy: 1.779 local terms energy: -375.119108 where: bonds (distance) C4'-P energy: -110.027 bonds (distance) P-C4' energy: -109.442 flat angles C4'-P-C4' energy: -80.692 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -17.466 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: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -723.137457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.137457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.137457 (E_RNA) where: Base-Base interactions energy: -345.616 where: short stacking energy: -209.257 Base-Backbone interact. energy: 0.738 local terms energy: -378.259230 where: bonds (distance) C4'-P energy: -115.376 bonds (distance) P-C4' energy: -107.493 flat angles C4'-P-C4' energy: -79.633 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -548.845458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.845458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.845458 (E_RNA) where: Base-Base interactions energy: -233.483 where: short stacking energy: -165.170 Base-Backbone interact. energy: -2.817 local terms energy: -312.546010 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -113.329 flat angles C4'-P-C4' energy: -78.911 flat angles P-C4'-P energy: -67.790 tors. eta vs tors. theta energy: 33.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2135.953449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.953449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.953449 (E_RNA) where: Base-Base interactions energy: -1473.797 where: short stacking energy: -606.123 Base-Backbone interact. energy: 0.537 local terms energy: -662.692896 where: bonds (distance) C4'-P energy: -131.863 bonds (distance) P-C4' energy: -124.619 flat angles C4'-P-C4' energy: -134.708 flat angles P-C4'-P energy: -93.668 tors. eta vs tors. theta energy: -177.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2060.907941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.907941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.907941 (E_RNA) where: Base-Base interactions energy: -1413.819 where: short stacking energy: -604.537 Base-Backbone interact. energy: -2.728 local terms energy: -644.361096 where: bonds (distance) C4'-P energy: -108.491 bonds (distance) P-C4' energy: -123.606 flat angles C4'-P-C4' energy: -143.485 flat angles P-C4'-P energy: -85.266 tors. eta vs tors. theta energy: -183.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1909.594241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.594241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.594241 (E_RNA) where: Base-Base interactions energy: -1270.639 where: short stacking energy: -581.571 Base-Backbone interact. energy: -3.116 local terms energy: -635.839805 where: bonds (distance) C4'-P energy: -122.951 bonds (distance) P-C4' energy: -111.956 flat angles C4'-P-C4' energy: -138.868 flat angles P-C4'-P energy: -89.122 tors. eta vs tors. theta energy: -172.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1757.242254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.242254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.242254 (E_RNA) where: Base-Base interactions energy: -1172.113 where: short stacking energy: -511.411 Base-Backbone interact. energy: -1.311 local terms energy: -583.817832 where: bonds (distance) C4'-P energy: -115.709 bonds (distance) P-C4' energy: -125.826 flat angles C4'-P-C4' energy: -132.631 flat angles P-C4'-P energy: -67.820 tors. eta vs tors. theta energy: -141.831 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: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1595.244297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.244297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.244297 (E_RNA) where: Base-Base interactions energy: -1039.896 where: short stacking energy: -474.275 Base-Backbone interact. energy: -2.938 local terms energy: -552.410188 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -121.857 flat angles C4'-P-C4' energy: -126.140 flat angles P-C4'-P energy: -76.685 tors. eta vs tors. theta energy: -124.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1495.737672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.737672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.737672 (E_RNA) where: Base-Base interactions energy: -947.280 where: short stacking energy: -451.358 Base-Backbone interact. energy: -1.892 local terms energy: -546.564783 where: bonds (distance) C4'-P energy: -99.108 bonds (distance) P-C4' energy: -112.463 flat angles C4'-P-C4' energy: -126.689 flat angles P-C4'-P energy: -92.574 tors. eta vs tors. theta energy: -115.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1125.903931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.903931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.903931 (E_RNA) where: Base-Base interactions energy: -670.477 where: short stacking energy: -330.550 Base-Backbone interact. energy: 0.190 local terms energy: -455.617286 where: bonds (distance) C4'-P energy: -118.692 bonds (distance) P-C4' energy: -126.072 flat angles C4'-P-C4' energy: -103.845 flat angles P-C4'-P energy: -58.151 tors. eta vs tors. theta energy: -48.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -834.652079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.652079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.652079 (E_RNA) where: Base-Base interactions energy: -434.492 where: short stacking energy: -262.676 Base-Backbone interact. energy: -1.698 local terms energy: -398.461829 where: bonds (distance) C4'-P energy: -115.413 bonds (distance) P-C4' energy: -107.716 flat angles C4'-P-C4' energy: -96.721 flat angles P-C4'-P energy: -70.225 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -765.893967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.893967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.893967 (E_RNA) where: Base-Base interactions energy: -388.747 where: short stacking energy: -258.825 Base-Backbone interact. energy: -0.707 local terms energy: -376.440656 where: bonds (distance) C4'-P energy: -107.341 bonds (distance) P-C4' energy: -95.169 flat angles C4'-P-C4' energy: -90.055 flat angles P-C4'-P energy: -60.261 tors. eta vs tors. theta energy: -23.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -527.945955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.945955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.945955 (E_RNA) where: Base-Base interactions energy: -222.068 where: short stacking energy: -162.156 Base-Backbone interact. energy: 1.405 local terms energy: -307.283228 where: bonds (distance) C4'-P energy: -92.852 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -85.801 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: 7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2107.395940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.395940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.395940 (E_RNA) where: Base-Base interactions energy: -1458.166 where: short stacking energy: -588.054 Base-Backbone interact. energy: -1.882 local terms energy: -647.347719 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -128.918 flat angles C4'-P-C4' energy: -124.851 flat angles P-C4'-P energy: -96.966 tors. eta vs tors. theta energy: -173.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2016.503291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.503291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.503291 (E_RNA) where: Base-Base interactions energy: -1385.541 where: short stacking energy: -588.435 Base-Backbone interact. energy: 0.541 local terms energy: -631.503670 where: bonds (distance) C4'-P energy: -133.962 bonds (distance) P-C4' energy: -121.034 flat angles C4'-P-C4' energy: -139.208 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: -166.915 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: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1905.426700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.426700 (E_RNA) where: Base-Base interactions energy: -1283.658 where: short stacking energy: -568.195 Base-Backbone interact. energy: -2.381 local terms energy: -619.387812 where: bonds (distance) C4'-P energy: -126.000 bonds (distance) P-C4' energy: -122.860 flat angles C4'-P-C4' energy: -127.926 flat angles P-C4'-P energy: -78.761 tors. eta vs tors. theta energy: -163.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1779.640833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.640833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.640833 (E_RNA) where: Base-Base interactions energy: -1198.640 where: short stacking energy: -549.654 Base-Backbone interact. energy: -5.515 local terms energy: -575.485597 where: bonds (distance) C4'-P energy: -108.945 bonds (distance) P-C4' energy: -108.245 flat angles C4'-P-C4' energy: -125.135 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -157.357 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: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1636.471611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.471611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.471611 (E_RNA) where: Base-Base interactions energy: -1070.275 where: short stacking energy: -479.095 Base-Backbone interact. energy: -3.139 local terms energy: -563.057766 where: bonds (distance) C4'-P energy: -106.456 bonds (distance) P-C4' energy: -108.520 flat angles C4'-P-C4' energy: -129.499 flat angles P-C4'-P energy: -92.366 tors. eta vs tors. theta energy: -126.216 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: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1440.548767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.548767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.548767 (E_RNA) where: Base-Base interactions energy: -938.570 where: short stacking energy: -432.976 Base-Backbone interact. energy: 0.924 local terms energy: -502.902322 where: bonds (distance) C4'-P energy: -101.119 bonds (distance) P-C4' energy: -115.363 flat angles C4'-P-C4' energy: -111.524 flat angles P-C4'-P energy: -67.838 tors. eta vs tors. theta energy: -107.058 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: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1135.539066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.539066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.539066 (E_RNA) where: Base-Base interactions energy: -689.026 where: short stacking energy: -352.553 Base-Backbone interact. energy: -2.452 local terms energy: -444.061018 where: bonds (distance) C4'-P energy: -101.869 bonds (distance) P-C4' energy: -95.646 flat angles C4'-P-C4' energy: -108.366 flat angles P-C4'-P energy: -64.318 tors. eta vs tors. theta energy: -73.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -814.114373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.114373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.114373 (E_RNA) where: Base-Base interactions energy: -407.258 where: short stacking energy: -203.456 Base-Backbone interact. energy: 2.392 local terms energy: -409.248772 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -118.997 flat angles C4'-P-C4' energy: -95.907 flat angles P-C4'-P energy: -75.910 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -697.097891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.097891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.097891 (E_RNA) where: Base-Base interactions energy: -324.437 where: short stacking energy: -187.261 Base-Backbone interact. energy: 5.179 local terms energy: -377.840439 where: bonds (distance) C4'-P energy: -112.032 bonds (distance) P-C4' energy: -111.522 flat angles C4'-P-C4' energy: -91.505 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -549.245795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.245795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.245795 (E_RNA) where: Base-Base interactions energy: -216.635 where: short stacking energy: -190.477 Base-Backbone interact. energy: 4.443 local terms energy: -337.053539 where: bonds (distance) C4'-P energy: -95.913 bonds (distance) P-C4' energy: -110.170 flat angles C4'-P-C4' energy: -77.742 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2100.223707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.223707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.223707 (E_RNA) where: Base-Base interactions energy: -1452.244 where: short stacking energy: -591.931 Base-Backbone interact. energy: 1.346 local terms energy: -649.325972 where: bonds (distance) C4'-P energy: -121.041 bonds (distance) P-C4' energy: -130.779 flat angles C4'-P-C4' energy: -138.441 flat angles P-C4'-P energy: -94.207 tors. eta vs tors. theta energy: -164.858 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: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2048.261259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.261259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.261259 (E_RNA) where: Base-Base interactions energy: -1411.809 where: short stacking energy: -618.402 Base-Backbone interact. energy: -4.581 local terms energy: -631.871980 where: bonds (distance) C4'-P energy: -118.872 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -135.100 flat angles P-C4'-P energy: -88.384 tors. eta vs tors. theta energy: -170.792 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: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1898.256656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.256656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.256656 (E_RNA) where: Base-Base interactions energy: -1260.075 where: short stacking energy: -562.282 Base-Backbone interact. energy: -1.805 local terms energy: -636.376008 where: bonds (distance) C4'-P energy: -113.102 bonds (distance) P-C4' energy: -132.583 flat angles C4'-P-C4' energy: -133.331 flat angles P-C4'-P energy: -91.029 tors. eta vs tors. theta energy: -166.331 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: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1736.497942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.497942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.497942 (E_RNA) where: Base-Base interactions energy: -1144.280 where: short stacking energy: -525.746 Base-Backbone interact. energy: 2.064 local terms energy: -594.281326 where: bonds (distance) C4'-P energy: -117.526 bonds (distance) P-C4' energy: -130.224 flat angles C4'-P-C4' energy: -133.300 flat angles P-C4'-P energy: -77.128 tors. eta vs tors. theta energy: -136.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1631.789792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.789792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.789792 (E_RNA) where: Base-Base interactions energy: -1103.920 where: short stacking energy: -500.031 Base-Backbone interact. energy: 0.282 local terms energy: -528.151751 where: bonds (distance) C4'-P energy: -118.541 bonds (distance) P-C4' energy: -119.064 flat angles C4'-P-C4' energy: -103.890 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: -120.078 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: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1479.709303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.709303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.709303 (E_RNA) where: Base-Base interactions energy: -939.360 where: short stacking energy: -433.705 Base-Backbone interact. energy: 5.152 local terms energy: -545.500574 where: bonds (distance) C4'-P energy: -113.100 bonds (distance) P-C4' energy: -118.322 flat angles C4'-P-C4' energy: -136.424 flat angles P-C4'-P energy: -72.070 tors. eta vs tors. theta energy: -105.584 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: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1126.690304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.690304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.690304 (E_RNA) where: Base-Base interactions energy: -654.009 where: short stacking energy: -358.207 Base-Backbone interact. energy: -0.808 local terms energy: -471.872796 where: bonds (distance) C4'-P energy: -113.695 bonds (distance) P-C4' energy: -105.388 flat angles C4'-P-C4' energy: -129.974 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -54.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -857.761228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.761228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.761228 (E_RNA) where: Base-Base interactions energy: -487.560 where: short stacking energy: -281.105 Base-Backbone interact. energy: -1.703 local terms energy: -368.498914 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -87.464 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -62.975 tors. eta vs tors. theta energy: -27.557 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: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -731.807625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.807625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.807625 (E_RNA) where: Base-Base interactions energy: -366.994 where: short stacking energy: -215.517 Base-Backbone interact. energy: 0.634 local terms energy: -365.447627 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -99.415 flat angles C4'-P-C4' energy: -103.476 flat angles P-C4'-P energy: -57.295 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -549.019395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.019395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.019395 (E_RNA) where: Base-Base interactions energy: -243.168 where: short stacking energy: -159.765 Base-Backbone interact. energy: -1.108 local terms energy: -304.744258 where: bonds (distance) C4'-P energy: -109.546 bonds (distance) P-C4' energy: -87.020 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -48.488 tors. eta vs tors. theta energy: 8.791 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: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2111.945576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.945576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.945576 (E_RNA) where: Base-Base interactions energy: -1467.814 where: short stacking energy: -598.400 Base-Backbone interact. energy: -2.571 local terms energy: -641.561351 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -126.440 flat angles C4'-P-C4' energy: -131.016 flat angles P-C4'-P energy: -96.119 tors. eta vs tors. theta energy: -167.898 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: 111 Temperature: 0.950000 Total energy: -2013.716284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.716284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.716284 (E_RNA) where: Base-Base interactions energy: -1369.412 where: short stacking energy: -586.252 Base-Backbone interact. energy: -0.885 local terms energy: -643.418564 where: bonds (distance) C4'-P energy: -121.232 bonds (distance) P-C4' energy: -124.934 flat angles C4'-P-C4' energy: -147.284 flat angles P-C4'-P energy: -83.021 tors. eta vs tors. theta energy: -166.948 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: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1882.885914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.885914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.885914 (E_RNA) where: Base-Base interactions energy: -1244.326 where: short stacking energy: -559.641 Base-Backbone interact. energy: 2.910 local terms energy: -641.470205 where: bonds (distance) C4'-P energy: -132.641 bonds (distance) P-C4' energy: -112.831 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -97.335 tors. eta vs tors. theta energy: -156.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1725.469109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.469109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.469109 (E_RNA) where: Base-Base interactions energy: -1152.251 where: short stacking energy: -524.105 Base-Backbone interact. energy: -1.432 local terms energy: -571.785772 where: bonds (distance) C4'-P energy: -115.514 bonds (distance) P-C4' energy: -118.503 flat angles C4'-P-C4' energy: -132.007 flat angles P-C4'-P energy: -72.102 tors. eta vs tors. theta energy: -133.660 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: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1583.563695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.563695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.563695 (E_RNA) where: Base-Base interactions energy: -1068.358 where: short stacking energy: -453.529 Base-Backbone interact. energy: -0.105 local terms energy: -515.100020 where: bonds (distance) C4'-P energy: -106.200 bonds (distance) P-C4' energy: -105.897 flat angles C4'-P-C4' energy: -120.117 flat angles P-C4'-P energy: -78.316 tors. eta vs tors. theta energy: -104.570 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: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1452.269339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.269339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.269339 (E_RNA) where: Base-Base interactions energy: -967.765 where: short stacking energy: -438.730 Base-Backbone interact. energy: 0.380 local terms energy: -484.885051 where: bonds (distance) C4'-P energy: -106.219 bonds (distance) P-C4' energy: -112.228 flat angles C4'-P-C4' energy: -119.161 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -97.885 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: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1099.705150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.705150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.705150 (E_RNA) where: Base-Base interactions energy: -660.498 where: short stacking energy: -341.399 Base-Backbone interact. energy: -5.286 local terms energy: -433.921075 where: bonds (distance) C4'-P energy: -94.194 bonds (distance) P-C4' energy: -99.279 flat angles C4'-P-C4' energy: -118.003 flat angles P-C4'-P energy: -69.825 tors. eta vs tors. theta energy: -52.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -918.963947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.963947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.963947 (E_RNA) where: Base-Base interactions energy: -517.810 where: short stacking energy: -296.359 Base-Backbone interact. energy: -2.737 local terms energy: -398.417429 where: bonds (distance) C4'-P energy: -94.452 bonds (distance) P-C4' energy: -96.207 flat angles C4'-P-C4' energy: -98.046 flat angles P-C4'-P energy: -61.910 tors. eta vs tors. theta energy: -47.803 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: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -684.708930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.708930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.708930 (E_RNA) where: Base-Base interactions energy: -301.444 where: short stacking energy: -185.299 Base-Backbone interact. energy: 1.939 local terms energy: -385.203999 where: bonds (distance) C4'-P energy: -118.234 bonds (distance) P-C4' energy: -111.407 flat angles C4'-P-C4' energy: -91.026 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -601.231812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.231812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.231812 (E_RNA) where: Base-Base interactions energy: -242.884 where: short stacking energy: -164.986 Base-Backbone interact. energy: -3.529 local terms energy: -354.818299 where: bonds (distance) C4'-P energy: -93.814 bonds (distance) P-C4' energy: -116.808 flat angles C4'-P-C4' energy: -91.270 flat angles P-C4'-P energy: -61.383 tors. eta vs tors. theta energy: 8.457 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: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2126.068700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.068700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.068700 (E_RNA) where: Base-Base interactions energy: -1476.430 where: short stacking energy: -614.398 Base-Backbone interact. energy: -4.283 local terms energy: -645.355436 where: bonds (distance) C4'-P energy: -114.921 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -148.946 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -174.520 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: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1998.887052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.887052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.887052 (E_RNA) where: Base-Base interactions energy: -1364.564 where: short stacking energy: -567.315 Base-Backbone interact. energy: 1.311 local terms energy: -635.633065 where: bonds (distance) C4'-P energy: -122.566 bonds (distance) P-C4' energy: -134.222 flat angles C4'-P-C4' energy: -131.771 flat angles P-C4'-P energy: -87.416 tors. eta vs tors. theta energy: -159.657 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: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1868.659864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.659864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.659864 (E_RNA) where: Base-Base interactions energy: -1258.971 where: short stacking energy: -566.293 Base-Backbone interact. energy: -3.227 local terms energy: -606.461649 where: bonds (distance) C4'-P energy: -101.262 bonds (distance) P-C4' energy: -127.589 flat angles C4'-P-C4' energy: -128.944 flat angles P-C4'-P energy: -90.103 tors. eta vs tors. theta energy: -158.564 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: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1709.175367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.175367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.175367 (E_RNA) where: Base-Base interactions energy: -1129.545 where: short stacking energy: -506.799 Base-Backbone interact. energy: 4.637 local terms energy: -584.267328 where: bonds (distance) C4'-P energy: -112.741 bonds (distance) P-C4' energy: -130.576 flat angles C4'-P-C4' energy: -118.757 flat angles P-C4'-P energy: -82.482 tors. eta vs tors. theta energy: -139.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1613.933438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.933438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.933438 (E_RNA) where: Base-Base interactions energy: -1048.777 where: short stacking energy: -469.065 Base-Backbone interact. energy: 3.414 local terms energy: -568.569763 where: bonds (distance) C4'-P energy: -112.802 bonds (distance) P-C4' energy: -125.941 flat angles C4'-P-C4' energy: -136.331 flat angles P-C4'-P energy: -79.293 tors. eta vs tors. theta energy: -114.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1431.008797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.008797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.008797 (E_RNA) where: Base-Base interactions energy: -913.646 where: short stacking energy: -436.705 Base-Backbone interact. energy: -3.380 local terms energy: -513.982547 where: bonds (distance) C4'-P energy: -124.630 bonds (distance) P-C4' energy: -115.641 flat angles C4'-P-C4' energy: -107.308 flat angles P-C4'-P energy: -64.995 tors. eta vs tors. theta energy: -101.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1172.275062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.275062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.275062 (E_RNA) where: Base-Base interactions energy: -702.352 where: short stacking energy: -335.608 Base-Backbone interact. energy: -2.225 local terms energy: -467.697705 where: bonds (distance) C4'-P energy: -115.380 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -101.141 flat angles P-C4'-P energy: -79.093 tors. eta vs tors. theta energy: -58.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -857.737359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.737359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.737359 (E_RNA) where: Base-Base interactions energy: -456.865 where: short stacking energy: -275.225 Base-Backbone interact. energy: -0.335 local terms energy: -400.537148 where: bonds (distance) C4'-P energy: -97.994 bonds (distance) P-C4' energy: -116.314 flat angles C4'-P-C4' energy: -102.137 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: -22.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -720.453546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.453546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.453546 (E_RNA) where: Base-Base interactions energy: -369.783 where: short stacking energy: -221.892 Base-Backbone interact. energy: -2.370 local terms energy: -348.300069 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -105.280 flat angles C4'-P-C4' energy: -85.603 flat angles P-C4'-P energy: -43.533 tors. eta vs tors. theta energy: -7.776 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: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -598.678458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.678458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.678458 (E_RNA) where: Base-Base interactions energy: -264.491 where: short stacking energy: -173.881 Base-Backbone interact. energy: -2.699 local terms energy: -331.488679 where: bonds (distance) C4'-P energy: -106.985 bonds (distance) P-C4' energy: -94.486 flat angles C4'-P-C4' energy: -88.224 flat angles P-C4'-P energy: -40.558 tors. eta vs tors. theta energy: -1.236 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: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2098.864258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.864258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.864258 (E_RNA) where: Base-Base interactions energy: -1450.623 where: short stacking energy: -600.843 Base-Backbone interact. energy: -4.522 local terms energy: -643.718561 where: bonds (distance) C4'-P energy: -124.771 bonds (distance) P-C4' energy: -123.028 flat angles C4'-P-C4' energy: -136.068 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -168.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2035.432727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.432727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.432727 (E_RNA) where: Base-Base interactions energy: -1396.757 where: short stacking energy: -577.806 Base-Backbone interact. energy: -1.849 local terms energy: -636.826616 where: bonds (distance) C4'-P energy: -115.007 bonds (distance) P-C4' energy: -131.617 flat angles C4'-P-C4' energy: -136.069 flat angles P-C4'-P energy: -94.709 tors. eta vs tors. theta energy: -159.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1867.978542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.978542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.978542 (E_RNA) where: Base-Base interactions energy: -1244.399 where: short stacking energy: -556.183 Base-Backbone interact. energy: 4.660 local terms energy: -628.239791 where: bonds (distance) C4'-P energy: -118.309 bonds (distance) P-C4' energy: -131.298 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -84.254 tors. eta vs tors. theta energy: -158.032 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: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1727.879968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.879968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.879968 (E_RNA) where: Base-Base interactions energy: -1136.543 where: short stacking energy: -528.766 Base-Backbone interact. energy: 1.297 local terms energy: -592.634439 where: bonds (distance) C4'-P energy: -122.327 bonds (distance) P-C4' energy: -109.354 flat angles C4'-P-C4' energy: -122.397 flat angles P-C4'-P energy: -91.044 tors. eta vs tors. theta energy: -147.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1625.445513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.445513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.445513 (E_RNA) where: Base-Base interactions energy: -1067.063 where: short stacking energy: -500.943 Base-Backbone interact. energy: -1.157 local terms energy: -557.225398 where: bonds (distance) C4'-P energy: -118.714 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -121.983 flat angles P-C4'-P energy: -71.850 tors. eta vs tors. theta energy: -130.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1505.304845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.304845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.304845 (E_RNA) where: Base-Base interactions energy: -969.018 where: short stacking energy: -449.768 Base-Backbone interact. energy: -1.650 local terms energy: -534.636775 where: bonds (distance) C4'-P energy: -100.470 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -131.570 flat angles P-C4'-P energy: -76.919 tors. eta vs tors. theta energy: -111.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1215.617349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.617349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.617349 (E_RNA) where: Base-Base interactions energy: -764.702 where: short stacking energy: -368.744 Base-Backbone interact. energy: 2.379 local terms energy: -453.295076 where: bonds (distance) C4'-P energy: -110.372 bonds (distance) P-C4' energy: -112.819 flat angles C4'-P-C4' energy: -106.657 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -71.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -847.912285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.912285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.912285 (E_RNA) where: Base-Base interactions energy: -432.942 where: short stacking energy: -228.486 Base-Backbone interact. energy: -1.175 local terms energy: -413.796137 where: bonds (distance) C4'-P energy: -119.415 bonds (distance) P-C4' energy: -114.495 flat angles C4'-P-C4' energy: -87.619 flat angles P-C4'-P energy: -74.489 tors. eta vs tors. theta energy: -17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -736.382393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.382393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.382393 (E_RNA) where: Base-Base interactions energy: -361.846 where: short stacking energy: -221.856 Base-Backbone interact. energy: 2.724 local terms energy: -377.259934 where: bonds (distance) C4'-P energy: -93.573 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -94.915 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -18.226 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: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -572.345712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.345712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.345712 (E_RNA) where: Base-Base interactions energy: -227.292 where: short stacking energy: -149.342 Base-Backbone interact. energy: -1.731 local terms energy: -343.322053 where: bonds (distance) C4'-P energy: -104.766 bonds (distance) P-C4' energy: -104.546 flat angles C4'-P-C4' energy: -71.833 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: 16.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2112.236209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.236209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.236209 (E_RNA) where: Base-Base interactions energy: -1461.350 where: short stacking energy: -620.630 Base-Backbone interact. energy: -4.173 local terms energy: -646.713098 where: bonds (distance) C4'-P energy: -120.841 bonds (distance) P-C4' energy: -126.367 flat angles C4'-P-C4' energy: -139.114 flat angles P-C4'-P energy: -95.189 tors. eta vs tors. theta energy: -165.202 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: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2021.446279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.446279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.446279 (E_RNA) where: Base-Base interactions energy: -1371.631 where: short stacking energy: -602.012 Base-Backbone interact. energy: -7.045 local terms energy: -642.770829 where: bonds (distance) C4'-P energy: -116.468 bonds (distance) P-C4' energy: -122.899 flat angles C4'-P-C4' energy: -146.061 flat angles P-C4'-P energy: -90.368 tors. eta vs tors. theta energy: -166.975 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: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1901.753330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.753330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.753330 (E_RNA) where: Base-Base interactions energy: -1286.468 where: short stacking energy: -563.021 Base-Backbone interact. energy: -2.889 local terms energy: -612.396434 where: bonds (distance) C4'-P energy: -116.245 bonds (distance) P-C4' energy: -120.566 flat angles C4'-P-C4' energy: -125.625 flat angles P-C4'-P energy: -91.171 tors. eta vs tors. theta energy: -158.791 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: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1713.826299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.826299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.826299 (E_RNA) where: Base-Base interactions energy: -1158.157 where: short stacking energy: -506.647 Base-Backbone interact. energy: 1.813 local terms energy: -557.482516 where: bonds (distance) C4'-P energy: -106.126 bonds (distance) P-C4' energy: -120.679 flat angles C4'-P-C4' energy: -130.636 flat angles P-C4'-P energy: -73.111 tors. eta vs tors. theta energy: -126.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1570.272868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.272868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.272868 (E_RNA) where: Base-Base interactions energy: -1032.112 where: short stacking energy: -442.351 Base-Backbone interact. energy: -3.259 local terms energy: -534.901709 where: bonds (distance) C4'-P energy: -111.580 bonds (distance) P-C4' energy: -121.197 flat angles C4'-P-C4' energy: -112.282 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -120.065 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: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1476.459273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.459273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.459273 (E_RNA) where: Base-Base interactions energy: -971.796 where: short stacking energy: -468.234 Base-Backbone interact. energy: -2.908 local terms energy: -501.754715 where: bonds (distance) C4'-P energy: -109.818 bonds (distance) P-C4' energy: -116.679 flat angles C4'-P-C4' energy: -107.163 flat angles P-C4'-P energy: -68.965 tors. eta vs tors. theta energy: -99.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1203.136862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.136862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.136862 (E_RNA) where: Base-Base interactions energy: -736.788 where: short stacking energy: -341.116 Base-Backbone interact. energy: 0.845 local terms energy: -467.193894 where: bonds (distance) C4'-P energy: -113.819 bonds (distance) P-C4' energy: -106.457 flat angles C4'-P-C4' energy: -108.782 flat angles P-C4'-P energy: -67.088 tors. eta vs tors. theta energy: -71.048 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: 114 Temperature: 1.250000 Total energy: -755.979214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.979214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.979214 (E_RNA) where: Base-Base interactions energy: -385.573 where: short stacking energy: -210.603 Base-Backbone interact. energy: -1.032 local terms energy: -369.374959 where: bonds (distance) C4'-P energy: -113.248 bonds (distance) P-C4' energy: -101.034 flat angles C4'-P-C4' energy: -84.225 flat angles P-C4'-P energy: -53.779 tors. eta vs tors. theta energy: -17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -773.713462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.713462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.713462 (E_RNA) where: Base-Base interactions energy: -393.516 where: short stacking energy: -224.324 Base-Backbone interact. energy: 1.412 local terms energy: -381.609506 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -116.615 flat angles C4'-P-C4' energy: -111.751 flat angles P-C4'-P energy: -59.675 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: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -552.980641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.980641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.980641 (E_RNA) where: Base-Base interactions energy: -239.894 where: short stacking energy: -161.429 Base-Backbone interact. energy: 3.025 local terms energy: -316.111936 where: bonds (distance) C4'-P energy: -94.206 bonds (distance) P-C4' energy: -105.589 flat angles C4'-P-C4' energy: -81.709 flat angles P-C4'-P energy: -48.710 tors. eta vs tors. theta energy: 14.101 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: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2121.876588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.876588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.876588 (E_RNA) where: Base-Base interactions energy: -1464.247 where: short stacking energy: -608.914 Base-Backbone interact. energy: -4.322 local terms energy: -653.307254 where: bonds (distance) C4'-P energy: -119.600 bonds (distance) P-C4' energy: -130.137 flat angles C4'-P-C4' energy: -144.110 flat angles P-C4'-P energy: -90.111 tors. eta vs tors. theta energy: -169.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2024.457921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.457921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.457921 (E_RNA) where: Base-Base interactions energy: -1383.292 where: short stacking energy: -572.615 Base-Backbone interact. energy: -8.123 local terms energy: -633.043031 where: bonds (distance) C4'-P energy: -110.769 bonds (distance) P-C4' energy: -125.642 flat angles C4'-P-C4' energy: -137.841 flat angles P-C4'-P energy: -83.686 tors. eta vs tors. theta energy: -175.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1884.833540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.833540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.833540 (E_RNA) where: Base-Base interactions energy: -1242.995 where: short stacking energy: -548.891 Base-Backbone interact. energy: -1.805 local terms energy: -640.033087 where: bonds (distance) C4'-P energy: -119.726 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -134.908 flat angles P-C4'-P energy: -92.793 tors. eta vs tors. theta energy: -173.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1754.871146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.871146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.871146 (E_RNA) where: Base-Base interactions energy: -1150.441 where: short stacking energy: -557.029 Base-Backbone interact. energy: -3.391 local terms energy: -601.039607 where: bonds (distance) C4'-P energy: -123.740 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -132.854 flat angles P-C4'-P energy: -75.332 tors. eta vs tors. theta energy: -137.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1602.603661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.603661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.603661 (E_RNA) where: Base-Base interactions energy: -1065.411 where: short stacking energy: -476.961 Base-Backbone interact. energy: -1.263 local terms energy: -535.929888 where: bonds (distance) C4'-P energy: -94.285 bonds (distance) P-C4' energy: -117.281 flat angles C4'-P-C4' energy: -125.260 flat angles P-C4'-P energy: -75.163 tors. eta vs tors. theta energy: -123.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1483.805623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.805623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.805623 (E_RNA) where: Base-Base interactions energy: -990.879 where: short stacking energy: -447.421 Base-Backbone interact. energy: 1.841 local terms energy: -494.768463 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -119.638 flat angles C4'-P-C4' energy: -110.187 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -111.319 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: 1 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1184.554177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.554177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.554177 (E_RNA) where: Base-Base interactions energy: -712.302 where: short stacking energy: -353.651 Base-Backbone interact. energy: -0.182 local terms energy: -472.069640 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -121.342 flat angles C4'-P-C4' energy: -101.534 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: -85.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -776.529604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.529604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.529604 (E_RNA) where: Base-Base interactions energy: -403.918 where: short stacking energy: -226.083 Base-Backbone interact. energy: -1.854 local terms energy: -370.757476 where: bonds (distance) C4'-P energy: -95.593 bonds (distance) P-C4' energy: -106.946 flat angles C4'-P-C4' energy: -101.328 flat angles P-C4'-P energy: -60.791 tors. eta vs tors. theta energy: -6.099 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: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -675.897231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.897231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.897231 (E_RNA) where: Base-Base interactions energy: -367.353 where: short stacking energy: -215.573 Base-Backbone interact. energy: 7.388 local terms energy: -315.931941 where: bonds (distance) C4'-P energy: -93.380 bonds (distance) P-C4' energy: -97.863 flat angles C4'-P-C4' energy: -89.440 flat angles P-C4'-P energy: -40.329 tors. eta vs tors. theta energy: 5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -556.999944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.999944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.999944 (E_RNA) where: Base-Base interactions energy: -238.164 where: short stacking energy: -169.265 Base-Backbone interact. energy: -1.484 local terms energy: -317.351399 where: bonds (distance) C4'-P energy: -97.194 bonds (distance) P-C4' energy: -102.037 flat angles C4'-P-C4' energy: -81.593 flat angles P-C4'-P energy: -48.671 tors. eta vs tors. theta energy: 12.144 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: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2112.127575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.127575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.127575 (E_RNA) where: Base-Base interactions energy: -1443.776 where: short stacking energy: -591.052 Base-Backbone interact. energy: 0.553 local terms energy: -668.904969 where: bonds (distance) C4'-P energy: -124.666 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -138.789 flat angles P-C4'-P energy: -98.882 tors. eta vs tors. theta energy: -164.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2033.460787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.460787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.460787 (E_RNA) where: Base-Base interactions energy: -1380.416 where: short stacking energy: -578.506 Base-Backbone interact. energy: -3.079 local terms energy: -649.965566 where: bonds (distance) C4'-P energy: -116.244 bonds (distance) P-C4' energy: -130.540 flat angles C4'-P-C4' energy: -136.125 flat angles P-C4'-P energy: -96.296 tors. eta vs tors. theta energy: -170.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1886.361824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.361824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.361824 (E_RNA) where: Base-Base interactions energy: -1265.839 where: short stacking energy: -567.241 Base-Backbone interact. energy: -1.695 local terms energy: -618.827324 where: bonds (distance) C4'-P energy: -116.363 bonds (distance) P-C4' energy: -104.867 flat angles C4'-P-C4' energy: -137.587 flat angles P-C4'-P energy: -88.852 tors. eta vs tors. theta energy: -171.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1809.056319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.056319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.056319 (E_RNA) where: Base-Base interactions energy: -1212.932 where: short stacking energy: -533.981 Base-Backbone interact. energy: -0.470 local terms energy: -595.654566 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -111.648 flat angles C4'-P-C4' energy: -126.160 flat angles P-C4'-P energy: -85.015 tors. eta vs tors. theta energy: -155.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1606.403136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.403136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.403136 (E_RNA) where: Base-Base interactions energy: -1080.582 where: short stacking energy: -481.648 Base-Backbone interact. energy: -1.249 local terms energy: -524.572380 where: bonds (distance) C4'-P energy: -103.720 bonds (distance) P-C4' energy: -115.970 flat angles C4'-P-C4' energy: -121.007 flat angles P-C4'-P energy: -62.337 tors. eta vs tors. theta energy: -121.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1490.450588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.450588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.450588 (E_RNA) where: Base-Base interactions energy: -960.127 where: short stacking energy: -424.231 Base-Backbone interact. energy: -1.778 local terms energy: -528.545679 where: bonds (distance) C4'-P energy: -105.741 bonds (distance) P-C4' energy: -114.744 flat angles C4'-P-C4' energy: -120.766 flat angles P-C4'-P energy: -87.086 tors. eta vs tors. theta energy: -100.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1198.857660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.857660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.857660 (E_RNA) where: Base-Base interactions energy: -756.552 where: short stacking energy: -345.353 Base-Backbone interact. energy: 3.738 local terms energy: -446.043685 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -108.530 flat angles C4'-P-C4' energy: -98.132 flat angles P-C4'-P energy: -74.974 tors. eta vs tors. theta energy: -66.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -746.439564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.439564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.439564 (E_RNA) where: Base-Base interactions energy: -371.590 where: short stacking energy: -199.010 Base-Backbone interact. energy: 1.260 local terms energy: -376.109479 where: bonds (distance) C4'-P energy: -106.104 bonds (distance) P-C4' energy: -110.915 flat angles C4'-P-C4' energy: -93.313 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -13.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -660.341140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.341140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.341140 (E_RNA) where: Base-Base interactions energy: -332.978 where: short stacking energy: -205.418 Base-Backbone interact. energy: -1.163 local terms energy: -326.200085 where: bonds (distance) C4'-P energy: -80.680 bonds (distance) P-C4' energy: -98.385 flat angles C4'-P-C4' energy: -96.051 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: 1.736 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: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -553.140060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.140060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.140060 (E_RNA) where: Base-Base interactions energy: -223.467 where: short stacking energy: -163.472 Base-Backbone interact. energy: -2.352 local terms energy: -327.321005 where: bonds (distance) C4'-P energy: -88.656 bonds (distance) P-C4' energy: -113.462 flat angles C4'-P-C4' energy: -98.626 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: 28.994 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: 1, replica: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2094.706064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.706064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.706064 (E_RNA) where: Base-Base interactions energy: -1446.598 where: short stacking energy: -604.719 Base-Backbone interact. energy: -1.630 local terms energy: -646.478119 where: bonds (distance) C4'-P energy: -118.904 bonds (distance) P-C4' energy: -126.093 flat angles C4'-P-C4' energy: -146.025 flat angles P-C4'-P energy: -82.869 tors. eta vs tors. theta energy: -172.587 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: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1994.787494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.787494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.787494 (E_RNA) where: Base-Base interactions energy: -1376.934 where: short stacking energy: -561.724 Base-Backbone interact. energy: 0.134 local terms energy: -617.987791 where: bonds (distance) C4'-P energy: -117.117 bonds (distance) P-C4' energy: -119.402 flat angles C4'-P-C4' energy: -138.287 flat angles P-C4'-P energy: -80.755 tors. eta vs tors. theta energy: -162.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1910.862607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.862607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.862607 (E_RNA) where: Base-Base interactions energy: -1251.638 where: short stacking energy: -564.396 Base-Backbone interact. energy: -2.048 local terms energy: -657.177505 where: bonds (distance) C4'-P energy: -125.873 bonds (distance) P-C4' energy: -137.856 flat angles C4'-P-C4' energy: -134.918 flat angles P-C4'-P energy: -82.117 tors. eta vs tors. theta energy: -176.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1803.015368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.015368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.015368 (E_RNA) where: Base-Base interactions energy: -1202.310 where: short stacking energy: -538.285 Base-Backbone interact. energy: -1.290 local terms energy: -599.415357 where: bonds (distance) C4'-P energy: -124.117 bonds (distance) P-C4' energy: -110.637 flat angles C4'-P-C4' energy: -126.007 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -160.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1590.295441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.295441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.295441 (E_RNA) where: Base-Base interactions energy: -1052.554 where: short stacking energy: -475.444 Base-Backbone interact. energy: -4.111 local terms energy: -533.630203 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -115.572 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -85.605 tors. eta vs tors. theta energy: -111.798 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: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1454.786828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.786828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.786828 (E_RNA) where: Base-Base interactions energy: -935.926 where: short stacking energy: -392.451 Base-Backbone interact. energy: -0.536 local terms energy: -518.324997 where: bonds (distance) C4'-P energy: -102.947 bonds (distance) P-C4' energy: -114.631 flat angles C4'-P-C4' energy: -125.212 flat angles P-C4'-P energy: -82.881 tors. eta vs tors. theta energy: -92.653 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: 7, replica: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1233.149428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.149428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.149428 (E_RNA) where: Base-Base interactions energy: -755.847 where: short stacking energy: -357.391 Base-Backbone interact. energy: -2.037 local terms energy: -475.265504 where: bonds (distance) C4'-P energy: -104.643 bonds (distance) P-C4' energy: -114.626 flat angles C4'-P-C4' energy: -116.652 flat angles P-C4'-P energy: -68.083 tors. eta vs tors. theta energy: -71.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -838.432337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.432337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.432337 (E_RNA) where: Base-Base interactions energy: -439.793 where: short stacking energy: -239.268 Base-Backbone interact. energy: 6.441 local terms energy: -405.080521 where: bonds (distance) C4'-P energy: -121.758 bonds (distance) P-C4' energy: -106.246 flat angles C4'-P-C4' energy: -102.646 flat angles P-C4'-P energy: -65.222 tors. eta vs tors. theta energy: -9.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -654.134140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.134140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.134140 (E_RNA) where: Base-Base interactions energy: -294.167 where: short stacking energy: -190.096 Base-Backbone interact. energy: 4.189 local terms energy: -364.155779 where: bonds (distance) C4'-P energy: -109.489 bonds (distance) P-C4' energy: -124.867 flat angles C4'-P-C4' energy: -84.652 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: 14.745 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: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -597.658846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.658846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.658846 (E_RNA) where: Base-Base interactions energy: -270.888 where: short stacking energy: -181.891 Base-Backbone interact. energy: -0.514 local terms energy: -326.256694 where: bonds (distance) C4'-P energy: -106.825 bonds (distance) P-C4' energy: -90.950 flat angles C4'-P-C4' energy: -94.371 flat angles P-C4'-P energy: -53.075 tors. eta vs tors. theta energy: 18.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2085.278777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.278777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.278777 (E_RNA) where: Base-Base interactions energy: -1409.862 where: short stacking energy: -623.851 Base-Backbone interact. energy: 3.869 local terms energy: -679.285938 where: bonds (distance) C4'-P energy: -128.085 bonds (distance) P-C4' energy: -129.762 flat angles C4'-P-C4' energy: -141.572 flat angles P-C4'-P energy: -106.215 tors. eta vs tors. theta energy: -173.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2007.391441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.391441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.391441 (E_RNA) where: Base-Base interactions energy: -1366.545 where: short stacking energy: -552.885 Base-Backbone interact. energy: -5.238 local terms energy: -635.608327 where: bonds (distance) C4'-P energy: -125.256 bonds (distance) P-C4' energy: -128.576 flat angles C4'-P-C4' energy: -136.799 flat angles P-C4'-P energy: -89.946 tors. eta vs tors. theta energy: -155.032 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: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1907.541186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.541186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.541186 (E_RNA) where: Base-Base interactions energy: -1259.353 where: short stacking energy: -538.512 Base-Backbone interact. energy: -2.152 local terms energy: -646.036511 where: bonds (distance) C4'-P energy: -101.621 bonds (distance) P-C4' energy: -129.501 flat angles C4'-P-C4' energy: -132.218 flat angles P-C4'-P energy: -106.594 tors. eta vs tors. theta energy: -176.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1818.956573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.956573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.956573 (E_RNA) where: Base-Base interactions energy: -1219.593 where: short stacking energy: -560.328 Base-Backbone interact. energy: 2.290 local terms energy: -601.652811 where: bonds (distance) C4'-P energy: -100.102 bonds (distance) P-C4' energy: -134.788 flat angles C4'-P-C4' energy: -139.078 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -154.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1609.431579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.431579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.431579 (E_RNA) where: Base-Base interactions energy: -1061.849 where: short stacking energy: -468.638 Base-Backbone interact. energy: 0.784 local terms energy: -548.366332 where: bonds (distance) C4'-P energy: -107.472 bonds (distance) P-C4' energy: -123.279 flat angles C4'-P-C4' energy: -122.622 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: -120.754 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: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1510.429981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.429981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.429981 (E_RNA) where: Base-Base interactions energy: -1003.612 where: short stacking energy: -457.709 Base-Backbone interact. energy: -1.743 local terms energy: -505.075199 where: bonds (distance) C4'-P energy: -108.169 bonds (distance) P-C4' energy: -106.773 flat angles C4'-P-C4' energy: -119.976 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -101.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1172.634180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.634180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.634180 (E_RNA) where: Base-Base interactions energy: -702.863 where: short stacking energy: -348.114 Base-Backbone interact. energy: -2.424 local terms energy: -467.347329 where: bonds (distance) C4'-P energy: -125.100 bonds (distance) P-C4' energy: -113.200 flat angles C4'-P-C4' energy: -88.094 flat angles P-C4'-P energy: -73.382 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: 118 Temperature: 1.250000 Total energy: -904.175320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.175320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.175320 (E_RNA) where: Base-Base interactions energy: -492.218 where: short stacking energy: -247.560 Base-Backbone interact. energy: -3.248 local terms energy: -408.709339 where: bonds (distance) C4'-P energy: -119.395 bonds (distance) P-C4' energy: -112.855 flat angles C4'-P-C4' energy: -89.541 flat angles P-C4'-P energy: -57.113 tors. eta vs tors. theta energy: -29.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -610.612302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.612302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.612302 (E_RNA) where: Base-Base interactions energy: -262.070 where: short stacking energy: -169.009 Base-Backbone interact. energy: -1.194 local terms energy: -347.348588 where: bonds (distance) C4'-P energy: -104.114 bonds (distance) P-C4' energy: -108.263 flat angles C4'-P-C4' energy: -86.032 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: 10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -568.110293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.110293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.110293 (E_RNA) where: Base-Base interactions energy: -236.266 where: short stacking energy: -165.629 Base-Backbone interact. energy: -2.747 local terms energy: -329.097801 where: bonds (distance) C4'-P energy: -94.166 bonds (distance) P-C4' energy: -106.699 flat angles C4'-P-C4' energy: -97.911 flat angles P-C4'-P energy: -45.705 tors. eta vs tors. theta energy: 15.382 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: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2134.468261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.468261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.468261 (E_RNA) where: Base-Base interactions energy: -1452.113 where: short stacking energy: -632.247 Base-Backbone interact. energy: -4.174 local terms energy: -678.181042 where: bonds (distance) C4'-P energy: -139.832 bonds (distance) P-C4' energy: -126.813 flat angles C4'-P-C4' energy: -150.844 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: -174.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1981.252520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.252520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.252520 (E_RNA) where: Base-Base interactions energy: -1354.478 where: short stacking energy: -570.732 Base-Backbone interact. energy: 0.396 local terms energy: -627.170583 where: bonds (distance) C4'-P energy: -126.539 bonds (distance) P-C4' energy: -122.809 flat angles C4'-P-C4' energy: -134.967 flat angles P-C4'-P energy: -88.276 tors. eta vs tors. theta energy: -154.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1951.638391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.638391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.638391 (E_RNA) where: Base-Base interactions energy: -1305.618 where: short stacking energy: -605.524 Base-Backbone interact. energy: -1.586 local terms energy: -644.434575 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -117.825 flat angles C4'-P-C4' energy: -140.229 flat angles P-C4'-P energy: -89.007 tors. eta vs tors. theta energy: -192.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1783.854718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.854718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.854718 (E_RNA) where: Base-Base interactions energy: -1209.726 where: short stacking energy: -504.954 Base-Backbone interact. energy: -3.172 local terms energy: -570.957274 where: bonds (distance) C4'-P energy: -118.736 bonds (distance) P-C4' energy: -124.983 flat angles C4'-P-C4' energy: -125.465 flat angles P-C4'-P energy: -70.001 tors. eta vs tors. theta energy: -131.773 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: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1604.992842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.992842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.992842 (E_RNA) where: Base-Base interactions energy: -1063.349 where: short stacking energy: -476.322 Base-Backbone interact. energy: -0.505 local terms energy: -541.139506 where: bonds (distance) C4'-P energy: -112.124 bonds (distance) P-C4' energy: -110.667 flat angles C4'-P-C4' energy: -122.573 flat angles P-C4'-P energy: -77.483 tors. eta vs tors. theta energy: -118.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1548.495083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.495083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.495083 (E_RNA) where: Base-Base interactions energy: -1048.683 where: short stacking energy: -450.110 Base-Backbone interact. energy: -0.583 local terms energy: -499.228938 where: bonds (distance) C4'-P energy: -92.526 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -115.072 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: -107.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1205.893001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.893001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.893001 (E_RNA) where: Base-Base interactions energy: -725.841 where: short stacking energy: -320.132 Base-Backbone interact. energy: 0.361 local terms energy: -480.413869 where: bonds (distance) C4'-P energy: -115.209 bonds (distance) P-C4' energy: -111.417 flat angles C4'-P-C4' energy: -108.621 flat angles P-C4'-P energy: -73.588 tors. eta vs tors. theta energy: -71.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -956.679975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.679975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.679975 (E_RNA) where: Base-Base interactions energy: -530.866 where: short stacking energy: -291.474 Base-Backbone interact. energy: -3.120 local terms energy: -422.694398 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -107.771 flat angles C4'-P-C4' energy: -91.552 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: -39.293 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: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -674.155807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.155807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.155807 (E_RNA) where: Base-Base interactions energy: -295.525 where: short stacking energy: -191.790 Base-Backbone interact. energy: 2.632 local terms energy: -381.262696 where: bonds (distance) C4'-P energy: -109.118 bonds (distance) P-C4' energy: -110.237 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -16.038 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: 10, replica: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -563.923122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.923122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.923122 (E_RNA) where: Base-Base interactions energy: -247.078 where: short stacking energy: -141.886 Base-Backbone interact. energy: 0.566 local terms energy: -317.410812 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -131.087 flat angles C4'-P-C4' energy: -90.867 flat angles P-C4'-P energy: -36.158 tors. eta vs tors. theta energy: 26.046 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: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2126.457394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.457394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.457394 (E_RNA) where: Base-Base interactions energy: -1466.244 where: short stacking energy: -624.863 Base-Backbone interact. energy: -1.788 local terms energy: -658.425361 where: bonds (distance) C4'-P energy: -118.466 bonds (distance) P-C4' energy: -118.945 flat angles C4'-P-C4' energy: -141.591 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -174.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1962.710798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.710798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.710798 (E_RNA) where: Base-Base interactions energy: -1360.082 where: short stacking energy: -552.880 Base-Backbone interact. energy: -3.851 local terms energy: -598.777601 where: bonds (distance) C4'-P energy: -104.557 bonds (distance) P-C4' energy: -123.558 flat angles C4'-P-C4' energy: -128.750 flat angles P-C4'-P energy: -82.527 tors. eta vs tors. theta energy: -159.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1939.953625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.953625 (E_RNA) where: Base-Base interactions energy: -1303.500 where: short stacking energy: -596.061 Base-Backbone interact. energy: -0.083 local terms energy: -636.370603 where: bonds (distance) C4'-P energy: -120.856 bonds (distance) P-C4' energy: -138.876 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -162.573 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: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1763.315186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.315186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.315186 (E_RNA) where: Base-Base interactions energy: -1201.485 where: short stacking energy: -540.288 Base-Backbone interact. energy: -0.566 local terms energy: -561.263571 where: bonds (distance) C4'-P energy: -109.556 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -112.098 flat angles P-C4'-P energy: -82.576 tors. eta vs tors. theta energy: -146.441 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: 120 Temperature: 1.100000 Total energy: -1635.449619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.449619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.449619 (E_RNA) where: Base-Base interactions energy: -1091.140 where: short stacking energy: -497.213 Base-Backbone interact. energy: -2.792 local terms energy: -541.517265 where: bonds (distance) C4'-P energy: -118.052 bonds (distance) P-C4' energy: -122.606 flat angles C4'-P-C4' energy: -113.010 flat angles P-C4'-P energy: -77.226 tors. eta vs tors. theta energy: -110.623 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: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1515.507152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.507152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.507152 (E_RNA) where: Base-Base interactions energy: -985.526 where: short stacking energy: -446.835 Base-Backbone interact. energy: 0.629 local terms energy: -530.610250 where: bonds (distance) C4'-P energy: -98.903 bonds (distance) P-C4' energy: -112.655 flat angles C4'-P-C4' energy: -121.132 flat angles P-C4'-P energy: -78.124 tors. eta vs tors. theta energy: -119.796 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: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1247.578880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.578880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.578880 (E_RNA) where: Base-Base interactions energy: -809.363 where: short stacking energy: -366.932 Base-Backbone interact. energy: -2.431 local terms energy: -435.784782 where: bonds (distance) C4'-P energy: -97.939 bonds (distance) P-C4' energy: -99.882 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -57.301 tors. eta vs tors. theta energy: -79.744 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: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -985.919023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.919023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.919023 (E_RNA) where: Base-Base interactions energy: -562.562 where: short stacking energy: -307.941 Base-Backbone interact. energy: -3.671 local terms energy: -419.686021 where: bonds (distance) C4'-P energy: -89.644 bonds (distance) P-C4' energy: -90.869 flat angles C4'-P-C4' energy: -119.126 flat angles P-C4'-P energy: -83.252 tors. eta vs tors. theta energy: -36.796 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: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -712.346585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.346585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.346585 (E_RNA) where: Base-Base interactions energy: -344.225 where: short stacking energy: -215.161 Base-Backbone interact. energy: -3.610 local terms energy: -364.512150 where: bonds (distance) C4'-P energy: -86.601 bonds (distance) P-C4' energy: -105.633 flat angles C4'-P-C4' energy: -101.191 flat angles P-C4'-P energy: -73.221 tors. eta vs tors. theta energy: 2.134 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: 10, replica: 2 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -523.547547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.547547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.547547 (E_RNA) where: Base-Base interactions energy: -207.635 where: short stacking energy: -138.299 Base-Backbone interact. energy: -4.562 local terms energy: -311.351176 where: bonds (distance) C4'-P energy: -97.048 bonds (distance) P-C4' energy: -107.050 flat angles C4'-P-C4' energy: -82.516 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: 29.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2108.862481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.862481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.862481 (E_RNA) where: Base-Base interactions energy: -1457.586 where: short stacking energy: -619.191 Base-Backbone interact. energy: -3.471 local terms energy: -647.805885 where: bonds (distance) C4'-P energy: -117.759 bonds (distance) P-C4' energy: -117.549 flat angles C4'-P-C4' energy: -143.613 flat angles P-C4'-P energy: -95.982 tors. eta vs tors. theta energy: -172.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1987.430360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.430360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.430360 (E_RNA) where: Base-Base interactions energy: -1324.448 where: short stacking energy: -596.746 Base-Backbone interact. energy: -1.757 local terms energy: -661.224894 where: bonds (distance) C4'-P energy: -116.831 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -137.127 flat angles P-C4'-P energy: -105.728 tors. eta vs tors. theta energy: -168.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1941.773615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.773615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.773615 (E_RNA) where: Base-Base interactions energy: -1331.139 where: short stacking energy: -551.349 Base-Backbone interact. energy: -7.542 local terms energy: -603.093065 where: bonds (distance) C4'-P energy: -123.381 bonds (distance) P-C4' energy: -99.997 flat angles C4'-P-C4' energy: -134.044 flat angles P-C4'-P energy: -85.202 tors. eta vs tors. theta energy: -160.469 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: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1747.539595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.539595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.539595 (E_RNA) where: Base-Base interactions energy: -1146.030 where: short stacking energy: -523.256 Base-Backbone interact. energy: -2.627 local terms energy: -598.882919 where: bonds (distance) C4'-P energy: -118.299 bonds (distance) P-C4' energy: -111.058 flat angles C4'-P-C4' energy: -129.008 flat angles P-C4'-P energy: -89.293 tors. eta vs tors. theta energy: -151.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1620.963150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.963150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.963150 (E_RNA) where: Base-Base interactions energy: -1072.967 where: short stacking energy: -515.077 Base-Backbone interact. energy: -5.445 local terms energy: -542.551599 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -108.968 flat angles C4'-P-C4' energy: -124.708 flat angles P-C4'-P energy: -71.853 tors. eta vs tors. theta energy: -126.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1649.000603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.000603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.000603 (E_RNA) where: Base-Base interactions energy: -1127.124 where: short stacking energy: -472.146 Base-Backbone interact. energy: -1.307 local terms energy: -520.569427 where: bonds (distance) C4'-P energy: -100.004 bonds (distance) P-C4' energy: -92.849 flat angles C4'-P-C4' energy: -124.370 flat angles P-C4'-P energy: -72.537 tors. eta vs tors. theta energy: -130.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1203.024464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.024464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.024464 (E_RNA) where: Base-Base interactions energy: -749.250 where: short stacking energy: -366.669 Base-Backbone interact. energy: -1.523 local terms energy: -452.250710 where: bonds (distance) C4'-P energy: -90.442 bonds (distance) P-C4' energy: -123.773 flat angles C4'-P-C4' energy: -106.742 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -74.611 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: 121 Temperature: 1.250000 Total energy: -975.704274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.704274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.704274 (E_RNA) where: Base-Base interactions energy: -550.445 where: short stacking energy: -278.011 Base-Backbone interact. energy: -1.687 local terms energy: -423.572336 where: bonds (distance) C4'-P energy: -112.754 bonds (distance) P-C4' energy: -93.455 flat angles C4'-P-C4' energy: -106.928 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -30.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -693.686125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.686125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.686125 (E_RNA) where: Base-Base interactions energy: -308.324 where: short stacking energy: -204.331 Base-Backbone interact. energy: -1.485 local terms energy: -383.876844 where: bonds (distance) C4'-P energy: -106.340 bonds (distance) P-C4' energy: -133.044 flat angles C4'-P-C4' energy: -89.169 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: 8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -558.759322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.759322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.759322 (E_RNA) where: Base-Base interactions energy: -231.177 where: short stacking energy: -175.365 Base-Backbone interact. energy: -0.713 local terms energy: -326.869405 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -106.405 flat angles C4'-P-C4' energy: -88.405 flat angles P-C4'-P energy: -33.816 tors. eta vs tors. theta energy: 11.475 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: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2114.791285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.791285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.791285 (E_RNA) where: Base-Base interactions energy: -1464.291 where: short stacking energy: -642.583 Base-Backbone interact. energy: -3.406 local terms energy: -647.094564 where: bonds (distance) C4'-P energy: -130.901 bonds (distance) P-C4' energy: -123.887 flat angles C4'-P-C4' energy: -139.102 flat angles P-C4'-P energy: -79.667 tors. eta vs tors. theta energy: -173.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1978.125831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.125831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.125831 (E_RNA) where: Base-Base interactions energy: -1338.162 where: short stacking energy: -595.692 Base-Backbone interact. energy: -0.298 local terms energy: -639.665769 where: bonds (distance) C4'-P energy: -109.240 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -140.708 flat angles P-C4'-P energy: -91.428 tors. eta vs tors. theta energy: -168.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1942.656349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.656349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.656349 (E_RNA) where: Base-Base interactions energy: -1334.250 where: short stacking energy: -555.111 Base-Backbone interact. energy: -0.230 local terms energy: -608.175994 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -118.424 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -83.911 tors. eta vs tors. theta energy: -157.730 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: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1754.331497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.331497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.331497 (E_RNA) where: Base-Base interactions energy: -1194.745 where: short stacking energy: -506.580 Base-Backbone interact. energy: -3.560 local terms energy: -556.026173 where: bonds (distance) C4'-P energy: -110.656 bonds (distance) P-C4' energy: -112.150 flat angles C4'-P-C4' energy: -119.627 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: -133.645 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1719.183424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.183424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.183424 (E_RNA) where: Base-Base interactions energy: -1158.746 where: short stacking energy: -519.869 Base-Backbone interact. energy: -2.988 local terms energy: -557.450186 where: bonds (distance) C4'-P energy: -106.673 bonds (distance) P-C4' energy: -109.820 flat angles C4'-P-C4' energy: -120.717 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -145.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1559.481653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.481653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.481653 (E_RNA) where: Base-Base interactions energy: -1020.176 where: short stacking energy: -478.156 Base-Backbone interact. energy: 3.471 local terms energy: -542.776894 where: bonds (distance) C4'-P energy: -96.585 bonds (distance) P-C4' energy: -121.183 flat angles C4'-P-C4' energy: -133.365 flat angles P-C4'-P energy: -76.401 tors. eta vs tors. theta energy: -115.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1243.190868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.190868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.190868 (E_RNA) where: Base-Base interactions energy: -751.818 where: short stacking energy: -363.777 Base-Backbone interact. energy: 2.868 local terms energy: -494.241053 where: bonds (distance) C4'-P energy: -125.906 bonds (distance) P-C4' energy: -119.243 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -70.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -960.275030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.275030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.275030 (E_RNA) where: Base-Base interactions energy: -582.225 where: short stacking energy: -299.650 Base-Backbone interact. energy: -0.241 local terms energy: -377.808969 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -102.155 flat angles C4'-P-C4' energy: -112.770 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -15.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -741.944089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.944089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.944089 (E_RNA) where: Base-Base interactions energy: -390.119 where: short stacking energy: -191.430 Base-Backbone interact. energy: 0.317 local terms energy: -352.142359 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -104.599 flat angles C4'-P-C4' energy: -100.540 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -0.956 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: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -578.518853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.518853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.518853 (E_RNA) where: Base-Base interactions energy: -248.873 where: short stacking energy: -174.974 Base-Backbone interact. energy: 3.380 local terms energy: -333.025568 where: bonds (distance) C4'-P energy: -100.745 bonds (distance) P-C4' energy: -117.988 flat angles C4'-P-C4' energy: -80.320 flat angles P-C4'-P energy: -53.282 tors. eta vs tors. theta energy: 19.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2124.582183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.582183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.582183 (E_RNA) where: Base-Base interactions energy: -1467.215 where: short stacking energy: -620.450 Base-Backbone interact. energy: -3.920 local terms energy: -653.447120 where: bonds (distance) C4'-P energy: -112.066 bonds (distance) P-C4' energy: -124.901 flat angles C4'-P-C4' energy: -138.861 flat angles P-C4'-P energy: -92.529 tors. eta vs tors. theta energy: -185.090 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: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2000.597897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.597897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.597897 (E_RNA) where: Base-Base interactions energy: -1330.092 where: short stacking energy: -593.395 Base-Backbone interact. energy: 1.577 local terms energy: -672.082836 where: bonds (distance) C4'-P energy: -122.157 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -142.028 flat angles P-C4'-P energy: -83.419 tors. eta vs tors. theta energy: -196.488 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: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1956.837491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.837491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.837491 (E_RNA) where: Base-Base interactions energy: -1358.277 where: short stacking energy: -558.994 Base-Backbone interact. energy: -2.905 local terms energy: -595.655617 where: bonds (distance) C4'-P energy: -115.537 bonds (distance) P-C4' energy: -124.621 flat angles C4'-P-C4' energy: -124.909 flat angles P-C4'-P energy: -79.637 tors. eta vs tors. theta energy: -150.951 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: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1788.766252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.766252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.766252 (E_RNA) where: Base-Base interactions energy: -1193.384 where: short stacking energy: -526.923 Base-Backbone interact. energy: -3.673 local terms energy: -591.709559 where: bonds (distance) C4'-P energy: -123.150 bonds (distance) P-C4' energy: -121.296 flat angles C4'-P-C4' energy: -124.742 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -152.002 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: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1788.214629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.214629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.214629 (E_RNA) where: Base-Base interactions energy: -1186.616 where: short stacking energy: -524.180 Base-Backbone interact. energy: -3.214 local terms energy: -598.384234 where: bonds (distance) C4'-P energy: -121.906 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -122.109 flat angles P-C4'-P energy: -71.668 tors. eta vs tors. theta energy: -151.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1542.065218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.065218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.065218 (E_RNA) where: Base-Base interactions energy: -1005.762 where: short stacking energy: -472.330 Base-Backbone interact. energy: -0.190 local terms energy: -536.113313 where: bonds (distance) C4'-P energy: -111.809 bonds (distance) P-C4' energy: -113.588 flat angles C4'-P-C4' energy: -132.415 flat angles P-C4'-P energy: -57.034 tors. eta vs tors. theta energy: -121.267 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: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1237.258986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.258986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.258986 (E_RNA) where: Base-Base interactions energy: -756.850 where: short stacking energy: -356.508 Base-Backbone interact. energy: 0.212 local terms energy: -480.621492 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -119.207 flat angles C4'-P-C4' energy: -107.519 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -70.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -966.650013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.650013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.650013 (E_RNA) where: Base-Base interactions energy: -551.449 where: short stacking energy: -275.662 Base-Backbone interact. energy: 2.205 local terms energy: -417.405895 where: bonds (distance) C4'-P energy: -97.605 bonds (distance) P-C4' energy: -102.927 flat angles C4'-P-C4' energy: -101.976 flat angles P-C4'-P energy: -57.812 tors. eta vs tors. theta energy: -57.085 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: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -649.217073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.217073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.217073 (E_RNA) where: Base-Base interactions energy: -304.350 where: short stacking energy: -194.646 Base-Backbone interact. energy: -1.418 local terms energy: -343.449211 where: bonds (distance) C4'-P energy: -101.803 bonds (distance) P-C4' energy: -101.092 flat angles C4'-P-C4' energy: -76.139 flat angles P-C4'-P energy: -63.790 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -559.169626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.169626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.169626 (E_RNA) where: Base-Base interactions energy: -249.405 where: short stacking energy: -167.708 Base-Backbone interact. energy: 6.981 local terms energy: -316.746230 where: bonds (distance) C4'-P energy: -93.976 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -72.692 flat angles P-C4'-P energy: -44.382 tors. eta vs tors. theta energy: 10.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2124.101249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.101249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.101249 (E_RNA) where: Base-Base interactions energy: -1430.987 where: short stacking energy: -596.856 Base-Backbone interact. energy: -5.485 local terms energy: -687.628733 where: bonds (distance) C4'-P energy: -130.245 bonds (distance) P-C4' energy: -123.836 flat angles C4'-P-C4' energy: -159.468 flat angles P-C4'-P energy: -104.366 tors. eta vs tors. theta energy: -169.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2006.048982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.048982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.048982 (E_RNA) where: Base-Base interactions energy: -1342.494 where: short stacking energy: -599.067 Base-Backbone interact. energy: -3.000 local terms energy: -660.554996 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -137.318 flat angles C4'-P-C4' energy: -128.215 flat angles P-C4'-P energy: -94.251 tors. eta vs tors. theta energy: -177.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1969.324108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.324108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.324108 (E_RNA) where: Base-Base interactions energy: -1357.783 where: short stacking energy: -560.381 Base-Backbone interact. energy: -1.950 local terms energy: -609.591102 where: bonds (distance) C4'-P energy: -114.656 bonds (distance) P-C4' energy: -123.331 flat angles C4'-P-C4' energy: -126.935 flat angles P-C4'-P energy: -87.143 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: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1807.339076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.339076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.339076 (E_RNA) where: Base-Base interactions energy: -1212.466 where: short stacking energy: -541.867 Base-Backbone interact. energy: -1.493 local terms energy: -593.379644 where: bonds (distance) C4'-P energy: -115.472 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -130.495 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -152.188 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: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1800.327570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.327570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.327570 (E_RNA) where: Base-Base interactions energy: -1192.415 where: short stacking energy: -552.913 Base-Backbone interact. energy: -2.871 local terms energy: -605.041612 where: bonds (distance) C4'-P energy: -115.877 bonds (distance) P-C4' energy: -109.954 flat angles C4'-P-C4' energy: -136.847 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -167.482 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: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1573.133223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.133223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.133223 (E_RNA) where: Base-Base interactions energy: -1023.072 where: short stacking energy: -484.289 Base-Backbone interact. energy: -3.705 local terms energy: -546.355618 where: bonds (distance) C4'-P energy: -96.562 bonds (distance) P-C4' energy: -101.471 flat angles C4'-P-C4' energy: -132.339 flat angles P-C4'-P energy: -88.084 tors. eta vs tors. theta energy: -127.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1202.177975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.177975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.177975 (E_RNA) where: Base-Base interactions energy: -757.763 where: short stacking energy: -333.910 Base-Backbone interact. energy: -2.031 local terms energy: -442.383406 where: bonds (distance) C4'-P energy: -100.110 bonds (distance) P-C4' energy: -114.235 flat angles C4'-P-C4' energy: -109.087 flat angles P-C4'-P energy: -69.466 tors. eta vs tors. theta energy: -49.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -963.444166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.444166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.444166 (E_RNA) where: Base-Base interactions energy: -558.887 where: short stacking energy: -270.856 Base-Backbone interact. energy: 1.119 local terms energy: -405.675389 where: bonds (distance) C4'-P energy: -97.400 bonds (distance) P-C4' energy: -103.998 flat angles C4'-P-C4' energy: -103.401 flat angles P-C4'-P energy: -64.324 tors. eta vs tors. theta energy: -36.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -626.766948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.766948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.766948 (E_RNA) where: Base-Base interactions energy: -269.359 where: short stacking energy: -160.929 Base-Backbone interact. energy: -0.930 local terms energy: -356.478108 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -113.563 flat angles C4'-P-C4' energy: -94.013 flat angles P-C4'-P energy: -60.587 tors. eta vs tors. theta energy: 4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -553.982749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.982749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.982749 (E_RNA) where: Base-Base interactions energy: -223.423 where: short stacking energy: -161.783 Base-Backbone interact. energy: 0.877 local terms energy: -331.435901 where: bonds (distance) C4'-P energy: -101.200 bonds (distance) P-C4' energy: -116.959 flat angles C4'-P-C4' energy: -94.387 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: 29.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2146.973126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.973126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.973126 (E_RNA) where: Base-Base interactions energy: -1471.081 where: short stacking energy: -616.388 Base-Backbone interact. energy: -5.898 local terms energy: -669.994361 where: bonds (distance) C4'-P energy: -133.108 bonds (distance) P-C4' energy: -123.648 flat angles C4'-P-C4' energy: -149.090 flat angles P-C4'-P energy: -93.697 tors. eta vs tors. theta energy: -170.451 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: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2003.980449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.980449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.980449 (E_RNA) where: Base-Base interactions energy: -1374.429 where: short stacking energy: -588.594 Base-Backbone interact. energy: -0.170 local terms energy: -629.382092 where: bonds (distance) C4'-P energy: -108.175 bonds (distance) P-C4' energy: -125.762 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -89.259 tors. eta vs tors. theta energy: -166.423 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: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1930.039639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.039639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.039639 (E_RNA) where: Base-Base interactions energy: -1284.911 where: short stacking energy: -587.598 Base-Backbone interact. energy: -1.929 local terms energy: -643.199482 where: bonds (distance) C4'-P energy: -114.614 bonds (distance) P-C4' energy: -127.347 flat angles C4'-P-C4' energy: -152.036 flat angles P-C4'-P energy: -76.686 tors. eta vs tors. theta energy: -172.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1867.895950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.895950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.895950 (E_RNA) where: Base-Base interactions energy: -1232.757 where: short stacking energy: -552.488 Base-Backbone interact. energy: -0.212 local terms energy: -634.927004 where: bonds (distance) C4'-P energy: -113.059 bonds (distance) P-C4' energy: -118.854 flat angles C4'-P-C4' energy: -144.153 flat angles P-C4'-P energy: -85.389 tors. eta vs tors. theta energy: -173.473 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1789.783290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.783290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.783290 (E_RNA) where: Base-Base interactions energy: -1234.437 where: short stacking energy: -528.556 Base-Backbone interact. energy: -3.645 local terms energy: -551.700539 where: bonds (distance) C4'-P energy: -113.784 bonds (distance) P-C4' energy: -100.661 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -142.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1499.331709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.331709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.331709 (E_RNA) where: Base-Base interactions energy: -979.032 where: short stacking energy: -445.230 Base-Backbone interact. energy: 2.748 local terms energy: -523.047313 where: bonds (distance) C4'-P energy: -111.794 bonds (distance) P-C4' energy: -119.106 flat angles C4'-P-C4' energy: -104.148 flat angles P-C4'-P energy: -71.925 tors. eta vs tors. theta energy: -116.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1190.505691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.505691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.505691 (E_RNA) where: Base-Base interactions energy: -726.043 where: short stacking energy: -350.911 Base-Backbone interact. energy: 3.079 local terms energy: -467.541371 where: bonds (distance) C4'-P energy: -112.141 bonds (distance) P-C4' energy: -123.817 flat angles C4'-P-C4' energy: -105.138 flat angles P-C4'-P energy: -60.013 tors. eta vs tors. theta energy: -66.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -900.145799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.145799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.145799 (E_RNA) where: Base-Base interactions energy: -515.543 where: short stacking energy: -261.195 Base-Backbone interact. energy: -0.951 local terms energy: -383.651207 where: bonds (distance) C4'-P energy: -98.490 bonds (distance) P-C4' energy: -99.232 flat angles C4'-P-C4' energy: -95.909 flat angles P-C4'-P energy: -52.337 tors. eta vs tors. theta energy: -37.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -588.873198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.873198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.873198 (E_RNA) where: Base-Base interactions energy: -245.212 where: short stacking energy: -145.482 Base-Backbone interact. energy: 3.467 local terms energy: -347.128512 where: bonds (distance) C4'-P energy: -103.941 bonds (distance) P-C4' energy: -101.688 flat angles C4'-P-C4' energy: -107.452 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: 14.008 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: 10, replica: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -565.032898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.032898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.032898 (E_RNA) where: Base-Base interactions energy: -225.865 where: short stacking energy: -171.104 Base-Backbone interact. energy: -0.931 local terms energy: -338.236286 where: bonds (distance) C4'-P energy: -82.765 bonds (distance) P-C4' energy: -127.219 flat angles C4'-P-C4' energy: -87.063 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: 5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2122.182532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.182532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.182532 (E_RNA) where: Base-Base interactions energy: -1467.731 where: short stacking energy: -616.031 Base-Backbone interact. energy: -1.641 local terms energy: -652.810612 where: bonds (distance) C4'-P energy: -109.338 bonds (distance) P-C4' energy: -124.943 flat angles C4'-P-C4' energy: -151.480 flat angles P-C4'-P energy: -95.998 tors. eta vs tors. theta energy: -171.052 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: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2026.162302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.162302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.162302 (E_RNA) where: Base-Base interactions energy: -1384.208 where: short stacking energy: -606.569 Base-Backbone interact. energy: 1.001 local terms energy: -642.955277 where: bonds (distance) C4'-P energy: -122.705 bonds (distance) P-C4' energy: -112.446 flat angles C4'-P-C4' energy: -149.322 flat angles P-C4'-P energy: -92.758 tors. eta vs tors. theta energy: -165.724 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: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1950.173198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.173198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.173198 (E_RNA) where: Base-Base interactions energy: -1294.074 where: short stacking energy: -588.931 Base-Backbone interact. energy: -1.449 local terms energy: -654.649541 where: bonds (distance) C4'-P energy: -122.058 bonds (distance) P-C4' energy: -122.747 flat angles C4'-P-C4' energy: -135.615 flat angles P-C4'-P energy: -92.074 tors. eta vs tors. theta energy: -182.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1850.470245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.470245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.470245 (E_RNA) where: Base-Base interactions energy: -1245.703 where: short stacking energy: -537.077 Base-Backbone interact. energy: -2.614 local terms energy: -602.153413 where: bonds (distance) C4'-P energy: -105.780 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -131.650 flat angles P-C4'-P energy: -74.867 tors. eta vs tors. theta energy: -166.734 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: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1736.055755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.055755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.055755 (E_RNA) where: Base-Base interactions energy: -1174.442 where: short stacking energy: -500.315 Base-Backbone interact. energy: -1.406 local terms energy: -560.208263 where: bonds (distance) C4'-P energy: -110.411 bonds (distance) P-C4' energy: -108.196 flat angles C4'-P-C4' energy: -118.723 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -150.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1509.992860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.992860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.992860 (E_RNA) where: Base-Base interactions energy: -989.939 where: short stacking energy: -462.083 Base-Backbone interact. energy: 0.634 local terms energy: -520.688184 where: bonds (distance) C4'-P energy: -92.961 bonds (distance) P-C4' energy: -97.116 flat angles C4'-P-C4' energy: -116.100 flat angles P-C4'-P energy: -89.184 tors. eta vs tors. theta energy: -125.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1233.969992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.969992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.969992 (E_RNA) where: Base-Base interactions energy: -754.145 where: short stacking energy: -364.585 Base-Backbone interact. energy: -2.757 local terms energy: -477.068217 where: bonds (distance) C4'-P energy: -117.171 bonds (distance) P-C4' energy: -101.807 flat angles C4'-P-C4' energy: -121.729 flat angles P-C4'-P energy: -63.894 tors. eta vs tors. theta energy: -72.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -944.862049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.862049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.862049 (E_RNA) where: Base-Base interactions energy: -521.123 where: short stacking energy: -290.185 Base-Backbone interact. energy: -2.537 local terms energy: -421.202554 where: bonds (distance) C4'-P energy: -103.422 bonds (distance) P-C4' energy: -97.012 flat angles C4'-P-C4' energy: -99.064 flat angles P-C4'-P energy: -72.993 tors. eta vs tors. theta energy: -48.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -575.492152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.492152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.492152 (E_RNA) where: Base-Base interactions energy: -238.763 where: short stacking energy: -161.052 Base-Backbone interact. energy: 1.118 local terms energy: -337.846774 where: bonds (distance) C4'-P energy: -100.607 bonds (distance) P-C4' energy: -105.054 flat angles C4'-P-C4' energy: -96.243 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: 29.816 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: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -547.298125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.298125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.298125 (E_RNA) where: Base-Base interactions energy: -209.754 where: short stacking energy: -163.735 Base-Backbone interact. energy: 0.653 local terms energy: -338.197011 where: bonds (distance) C4'-P energy: -97.471 bonds (distance) P-C4' energy: -122.606 flat angles C4'-P-C4' energy: -95.769 flat angles P-C4'-P energy: -34.708 tors. eta vs tors. theta energy: 12.357 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: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2119.829125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.829125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.829125 (E_RNA) where: Base-Base interactions energy: -1460.753 where: short stacking energy: -596.321 Base-Backbone interact. energy: -4.946 local terms energy: -654.129743 where: bonds (distance) C4'-P energy: -125.763 bonds (distance) P-C4' energy: -130.515 flat angles C4'-P-C4' energy: -152.566 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -158.967 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: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2007.966328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.966328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.966328 (E_RNA) where: Base-Base interactions energy: -1355.431 where: short stacking energy: -560.568 Base-Backbone interact. energy: -1.504 local terms energy: -651.031866 where: bonds (distance) C4'-P energy: -117.955 bonds (distance) P-C4' energy: -123.969 flat angles C4'-P-C4' energy: -141.180 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -166.328 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: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1974.427894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.427894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.427894 (E_RNA) where: Base-Base interactions energy: -1318.561 where: short stacking energy: -617.307 Base-Backbone interact. energy: -1.868 local terms energy: -653.999137 where: bonds (distance) C4'-P energy: -121.601 bonds (distance) P-C4' energy: -121.547 flat angles C4'-P-C4' energy: -134.386 flat angles P-C4'-P energy: -93.509 tors. eta vs tors. theta energy: -182.956 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: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1871.954955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.954955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.954955 (E_RNA) where: Base-Base interactions energy: -1251.966 where: short stacking energy: -579.522 Base-Backbone interact. energy: -2.264 local terms energy: -617.725448 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -116.215 flat angles C4'-P-C4' energy: -140.509 flat angles P-C4'-P energy: -87.754 tors. eta vs tors. theta energy: -166.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1621.990248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.990248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.990248 (E_RNA) where: Base-Base interactions energy: -1075.688 where: short stacking energy: -480.275 Base-Backbone interact. energy: 0.271 local terms energy: -546.573038 where: bonds (distance) C4'-P energy: -98.281 bonds (distance) P-C4' energy: -105.152 flat angles C4'-P-C4' energy: -127.765 flat angles P-C4'-P energy: -87.696 tors. eta vs tors. theta energy: -127.679 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: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1457.494241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.494241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.494241 (E_RNA) where: Base-Base interactions energy: -958.223 where: short stacking energy: -431.615 Base-Backbone interact. energy: -0.910 local terms energy: -498.361438 where: bonds (distance) C4'-P energy: -130.614 bonds (distance) P-C4' energy: -93.630 flat angles C4'-P-C4' energy: -119.901 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -94.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1291.017127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.017127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.017127 (E_RNA) where: Base-Base interactions energy: -849.581 where: short stacking energy: -377.679 Base-Backbone interact. energy: 0.794 local terms energy: -442.229763 where: bonds (distance) C4'-P energy: -95.122 bonds (distance) P-C4' energy: -104.424 flat angles C4'-P-C4' energy: -115.741 flat angles P-C4'-P energy: -60.251 tors. eta vs tors. theta energy: -66.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -929.688991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.688991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.688991 (E_RNA) where: Base-Base interactions energy: -513.135 where: short stacking energy: -250.360 Base-Backbone interact. energy: -1.337 local terms energy: -415.216997 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -110.983 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -59.913 tors. eta vs tors. theta energy: -33.458 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -620.192231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.192231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.192231 (E_RNA) where: Base-Base interactions energy: -281.440 where: short stacking energy: -180.644 Base-Backbone interact. energy: -1.377 local terms energy: -337.374524 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -104.041 flat angles C4'-P-C4' energy: -97.180 flat angles P-C4'-P energy: -44.885 tors. eta vs tors. theta energy: 12.310 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: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -581.630324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.630324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.630324 (E_RNA) where: Base-Base interactions energy: -255.031 where: short stacking energy: -164.777 Base-Backbone interact. energy: 4.216 local terms energy: -330.815274 where: bonds (distance) C4'-P energy: -105.618 bonds (distance) P-C4' energy: -102.016 flat angles C4'-P-C4' energy: -91.955 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: 14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2117.126152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.126152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.126152 (E_RNA) where: Base-Base interactions energy: -1441.445 where: short stacking energy: -610.300 Base-Backbone interact. energy: -6.208 local terms energy: -669.473444 where: bonds (distance) C4'-P energy: -128.461 bonds (distance) P-C4' energy: -124.745 flat angles C4'-P-C4' energy: -139.193 flat angles P-C4'-P energy: -102.082 tors. eta vs tors. theta energy: -174.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2012.950223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.950223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.950223 (E_RNA) where: Base-Base interactions energy: -1373.314 where: short stacking energy: -583.455 Base-Backbone interact. energy: -7.593 local terms energy: -632.043896 where: bonds (distance) C4'-P energy: -124.736 bonds (distance) P-C4' energy: -119.368 flat angles C4'-P-C4' energy: -140.825 flat angles P-C4'-P energy: -93.513 tors. eta vs tors. theta energy: -153.602 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: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1907.618309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.618309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.618309 (E_RNA) where: Base-Base interactions energy: -1279.361 where: short stacking energy: -577.123 Base-Backbone interact. energy: -1.669 local terms energy: -626.588520 where: bonds (distance) C4'-P energy: -103.868 bonds (distance) P-C4' energy: -123.691 flat angles C4'-P-C4' energy: -138.337 flat angles P-C4'-P energy: -99.684 tors. eta vs tors. theta energy: -161.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1859.708376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.708376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.708376 (E_RNA) where: Base-Base interactions energy: -1299.381 where: short stacking energy: -565.563 Base-Backbone interact. energy: -1.992 local terms energy: -558.335731 where: bonds (distance) C4'-P energy: -103.451 bonds (distance) P-C4' energy: -94.909 flat angles C4'-P-C4' energy: -127.465 flat angles P-C4'-P energy: -68.956 tors. eta vs tors. theta energy: -163.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1622.480363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.480363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.480363 (E_RNA) where: Base-Base interactions energy: -1059.264 where: short stacking energy: -470.224 Base-Backbone interact. energy: 2.306 local terms energy: -565.523131 where: bonds (distance) C4'-P energy: -115.850 bonds (distance) P-C4' energy: -110.273 flat angles C4'-P-C4' energy: -117.786 flat angles P-C4'-P energy: -89.319 tors. eta vs tors. theta energy: -132.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1468.897952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.897952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.897952 (E_RNA) where: Base-Base interactions energy: -939.130 where: short stacking energy: -446.045 Base-Backbone interact. energy: -0.657 local terms energy: -529.110602 where: bonds (distance) C4'-P energy: -116.072 bonds (distance) P-C4' energy: -118.708 flat angles C4'-P-C4' energy: -113.690 flat angles P-C4'-P energy: -72.890 tors. eta vs tors. theta energy: -107.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1287.201962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.201962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.201962 (E_RNA) where: Base-Base interactions energy: -799.570 where: short stacking energy: -393.327 Base-Backbone interact. energy: -0.970 local terms energy: -486.662436 where: bonds (distance) C4'-P energy: -108.532 bonds (distance) P-C4' energy: -116.935 flat angles C4'-P-C4' energy: -108.776 flat angles P-C4'-P energy: -73.618 tors. eta vs tors. theta energy: -78.801 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: 8, replica: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -953.947915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.947915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.947915 (E_RNA) where: Base-Base interactions energy: -521.282 where: short stacking energy: -253.998 Base-Backbone interact. energy: 3.296 local terms energy: -435.961913 where: bonds (distance) C4'-P energy: -104.499 bonds (distance) P-C4' energy: -124.924 flat angles C4'-P-C4' energy: -112.701 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: -36.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -655.693169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.693169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.693169 (E_RNA) where: Base-Base interactions energy: -323.815 where: short stacking energy: -198.602 Base-Backbone interact. energy: 0.739 local terms energy: -332.617283 where: bonds (distance) C4'-P energy: -101.647 bonds (distance) P-C4' energy: -112.989 flat angles C4'-P-C4' energy: -75.401 flat angles P-C4'-P energy: -42.842 tors. eta vs tors. theta energy: 0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -616.197412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.197412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.197412 (E_RNA) where: Base-Base interactions energy: -301.831 where: short stacking energy: -166.035 Base-Backbone interact. energy: -3.630 local terms energy: -310.736498 where: bonds (distance) C4'-P energy: -93.593 bonds (distance) P-C4' energy: -91.757 flat angles C4'-P-C4' energy: -99.903 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: 18.605 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: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2103.411423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.411423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.411423 (E_RNA) where: Base-Base interactions energy: -1459.545 where: short stacking energy: -608.848 Base-Backbone interact. energy: -4.524 local terms energy: -639.343041 where: bonds (distance) C4'-P energy: -118.684 bonds (distance) P-C4' energy: -122.480 flat angles C4'-P-C4' energy: -138.599 flat angles P-C4'-P energy: -95.209 tors. eta vs tors. theta energy: -164.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2007.399110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.399110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.399110 (E_RNA) where: Base-Base interactions energy: -1374.764 where: short stacking energy: -587.922 Base-Backbone interact. energy: -5.141 local terms energy: -627.493892 where: bonds (distance) C4'-P energy: -132.998 bonds (distance) P-C4' energy: -120.652 flat angles C4'-P-C4' energy: -133.469 flat angles P-C4'-P energy: -74.984 tors. eta vs tors. theta energy: -165.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1912.136906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.136906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.136906 (E_RNA) where: Base-Base interactions energy: -1299.426 where: short stacking energy: -578.794 Base-Backbone interact. energy: 5.034 local terms energy: -617.744869 where: bonds (distance) C4'-P energy: -107.571 bonds (distance) P-C4' energy: -124.388 flat angles C4'-P-C4' energy: -129.472 flat angles P-C4'-P energy: -90.410 tors. eta vs tors. theta energy: -165.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1887.251527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.251527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.251527 (E_RNA) where: Base-Base interactions energy: -1286.481 where: short stacking energy: -570.949 Base-Backbone interact. energy: -4.039 local terms energy: -596.731150 where: bonds (distance) C4'-P energy: -113.510 bonds (distance) P-C4' energy: -117.132 flat angles C4'-P-C4' energy: -138.679 flat angles P-C4'-P energy: -63.694 tors. eta vs tors. theta energy: -163.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1595.607583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.607583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.607583 (E_RNA) where: Base-Base interactions energy: -1030.427 where: short stacking energy: -486.876 Base-Backbone interact. energy: -1.520 local terms energy: -563.660529 where: bonds (distance) C4'-P energy: -108.598 bonds (distance) P-C4' energy: -112.873 flat angles C4'-P-C4' energy: -122.480 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -143.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1419.655816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.655816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.655816 (E_RNA) where: Base-Base interactions energy: -915.511 where: short stacking energy: -424.552 Base-Backbone interact. energy: -1.988 local terms energy: -502.156458 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -111.956 flat angles C4'-P-C4' energy: -123.023 flat angles P-C4'-P energy: -61.465 tors. eta vs tors. theta energy: -106.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1251.372518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.372518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.372518 (E_RNA) where: Base-Base interactions energy: -814.398 where: short stacking energy: -396.621 Base-Backbone interact. energy: 2.824 local terms energy: -439.799026 where: bonds (distance) C4'-P energy: -87.307 bonds (distance) P-C4' energy: -93.832 flat angles C4'-P-C4' energy: -103.134 flat angles P-C4'-P energy: -73.068 tors. eta vs tors. theta energy: -82.458 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: 129 Temperature: 1.250000 Total energy: -930.308249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.308249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.308249 (E_RNA) where: Base-Base interactions energy: -536.276 where: short stacking energy: -294.006 Base-Backbone interact. energy: 0.175 local terms energy: -394.207948 where: bonds (distance) C4'-P energy: -99.254 bonds (distance) P-C4' energy: -110.523 flat angles C4'-P-C4' energy: -101.098 flat angles P-C4'-P energy: -42.866 tors. eta vs tors. theta energy: -40.466 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: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -612.815740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.815740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.815740 (E_RNA) where: Base-Base interactions energy: -255.994 where: short stacking energy: -184.765 Base-Backbone interact. energy: 1.809 local terms energy: -358.630449 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -103.650 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -54.142 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -593.791637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.791637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.791637 (E_RNA) where: Base-Base interactions energy: -279.729 where: short stacking energy: -172.155 Base-Backbone interact. energy: 0.765 local terms energy: -314.828056 where: bonds (distance) C4'-P energy: -86.235 bonds (distance) P-C4' energy: -106.321 flat angles C4'-P-C4' energy: -88.765 flat angles P-C4'-P energy: -58.099 tors. eta vs tors. theta energy: 24.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2128.402632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.402632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.402632 (E_RNA) where: Base-Base interactions energy: -1470.740 where: short stacking energy: -612.724 Base-Backbone interact. energy: -4.344 local terms energy: -653.318347 where: bonds (distance) C4'-P energy: -124.213 bonds (distance) P-C4' energy: -132.487 flat angles C4'-P-C4' energy: -133.816 flat angles P-C4'-P energy: -93.569 tors. eta vs tors. theta energy: -169.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1986.188249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.188249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.188249 (E_RNA) where: Base-Base interactions energy: -1350.885 where: short stacking energy: -566.583 Base-Backbone interact. energy: -0.867 local terms energy: -634.435635 where: bonds (distance) C4'-P energy: -123.814 bonds (distance) P-C4' energy: -119.447 flat angles C4'-P-C4' energy: -137.744 flat angles P-C4'-P energy: -91.555 tors. eta vs tors. theta energy: -161.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1926.949483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.949483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.949483 (E_RNA) where: Base-Base interactions energy: -1316.827 where: short stacking energy: -599.302 Base-Backbone interact. energy: -2.157 local terms energy: -607.965955 where: bonds (distance) C4'-P energy: -101.149 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -138.755 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -184.619 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: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1859.900735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.900735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.900735 (E_RNA) where: Base-Base interactions energy: -1266.724 where: short stacking energy: -572.617 Base-Backbone interact. energy: -1.352 local terms energy: -591.824831 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -109.737 flat angles C4'-P-C4' energy: -117.224 flat angles P-C4'-P energy: -90.670 tors. eta vs tors. theta energy: -160.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1629.705636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.705636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.705636 (E_RNA) where: Base-Base interactions energy: -1051.577 where: short stacking energy: -497.150 Base-Backbone interact. energy: -1.854 local terms energy: -576.274103 where: bonds (distance) C4'-P energy: -119.249 bonds (distance) P-C4' energy: -113.976 flat angles C4'-P-C4' energy: -124.283 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -148.701 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: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1456.999844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.999844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.999844 (E_RNA) where: Base-Base interactions energy: -946.370 where: short stacking energy: -434.102 Base-Backbone interact. energy: 0.418 local terms energy: -511.048198 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -109.377 flat angles C4'-P-C4' energy: -112.953 flat angles P-C4'-P energy: -61.258 tors. eta vs tors. theta energy: -97.012 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: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1291.787060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.787060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.787060 (E_RNA) where: Base-Base interactions energy: -808.021 where: short stacking energy: -366.816 Base-Backbone interact. energy: -0.234 local terms energy: -483.532139 where: bonds (distance) C4'-P energy: -104.255 bonds (distance) P-C4' energy: -111.433 flat angles C4'-P-C4' energy: -110.940 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -82.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -902.268674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.268674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.268674 (E_RNA) where: Base-Base interactions energy: -520.983 where: short stacking energy: -269.312 Base-Backbone interact. energy: -3.807 local terms energy: -377.478611 where: bonds (distance) C4'-P energy: -85.463 bonds (distance) P-C4' energy: -117.066 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -49.933 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: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -588.925577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.925577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.925577 (E_RNA) where: Base-Base interactions energy: -209.482 where: short stacking energy: -148.031 Base-Backbone interact. energy: -1.631 local terms energy: -377.812901 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -97.696 flat angles C4'-P-C4' energy: -114.622 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: 16.180 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: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -535.871724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.871724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.871724 (E_RNA) where: Base-Base interactions energy: -222.597 where: short stacking energy: -140.063 Base-Backbone interact. energy: 1.373 local terms energy: -314.648336 where: bonds (distance) C4'-P energy: -93.874 bonds (distance) P-C4' energy: -103.241 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: 25.874 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: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2130.015516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.015516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.015516 (E_RNA) where: Base-Base interactions energy: -1471.042 where: short stacking energy: -631.067 Base-Backbone interact. energy: -2.341 local terms energy: -656.633015 where: bonds (distance) C4'-P energy: -121.602 bonds (distance) P-C4' energy: -123.007 flat angles C4'-P-C4' energy: -141.241 flat angles P-C4'-P energy: -96.633 tors. eta vs tors. theta energy: -174.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1989.426737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.426737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.426737 (E_RNA) where: Base-Base interactions energy: -1357.770 where: short stacking energy: -575.581 Base-Backbone interact. energy: -2.285 local terms energy: -629.371582 where: bonds (distance) C4'-P energy: -124.211 bonds (distance) P-C4' energy: -117.305 flat angles C4'-P-C4' energy: -137.180 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -171.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1956.166350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.166350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.166350 (E_RNA) where: Base-Base interactions energy: -1335.887 where: short stacking energy: -577.311 Base-Backbone interact. energy: -0.227 local terms energy: -620.052051 where: bonds (distance) C4'-P energy: -105.842 bonds (distance) P-C4' energy: -116.602 flat angles C4'-P-C4' energy: -137.715 flat angles P-C4'-P energy: -87.805 tors. eta vs tors. theta energy: -172.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1890.951445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.951445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.951445 (E_RNA) where: Base-Base interactions energy: -1283.659 where: short stacking energy: -570.758 Base-Backbone interact. energy: -3.136 local terms energy: -604.156107 where: bonds (distance) C4'-P energy: -113.248 bonds (distance) P-C4' energy: -124.093 flat angles C4'-P-C4' energy: -128.122 flat angles P-C4'-P energy: -84.870 tors. eta vs tors. theta energy: -153.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1624.262773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.262773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.262773 (E_RNA) where: Base-Base interactions energy: -1071.074 where: short stacking energy: -489.738 Base-Backbone interact. energy: -2.734 local terms energy: -550.455035 where: bonds (distance) C4'-P energy: -111.410 bonds (distance) P-C4' energy: -122.219 flat angles C4'-P-C4' energy: -113.451 flat angles P-C4'-P energy: -73.845 tors. eta vs tors. theta energy: -129.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1493.394747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.394747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.394747 (E_RNA) where: Base-Base interactions energy: -967.922 where: short stacking energy: -451.433 Base-Backbone interact. energy: 2.461 local terms energy: -527.932989 where: bonds (distance) C4'-P energy: -116.028 bonds (distance) P-C4' energy: -113.034 flat angles C4'-P-C4' energy: -118.181 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -105.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1286.926351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.926351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.926351 (E_RNA) where: Base-Base interactions energy: -788.577 where: short stacking energy: -335.699 Base-Backbone interact. energy: -2.192 local terms energy: -496.158138 where: bonds (distance) C4'-P energy: -110.408 bonds (distance) P-C4' energy: -114.405 flat angles C4'-P-C4' energy: -127.420 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -73.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -930.932040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.932040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.932040 (E_RNA) where: Base-Base interactions energy: -517.116 where: short stacking energy: -290.871 Base-Backbone interact. energy: -0.463 local terms energy: -413.353268 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -101.691 flat angles C4'-P-C4' energy: -118.053 flat angles P-C4'-P energy: -59.384 tors. eta vs tors. theta energy: -34.388 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: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -594.516395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.516395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.516395 (E_RNA) where: Base-Base interactions energy: -248.464 where: short stacking energy: -196.737 Base-Backbone interact. energy: -1.253 local terms energy: -344.799089 where: bonds (distance) C4'-P energy: -119.903 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -77.617 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: 2.704 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: 6 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -550.255136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.255136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.255136 (E_RNA) where: Base-Base interactions energy: -202.073 where: short stacking energy: -143.759 Base-Backbone interact. energy: -1.404 local terms energy: -346.778155 where: bonds (distance) C4'-P energy: -109.139 bonds (distance) P-C4' energy: -110.271 flat angles C4'-P-C4' energy: -85.260 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: 20.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2119.803802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.803802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.803802 (E_RNA) where: Base-Base interactions energy: -1466.254 where: short stacking energy: -631.283 Base-Backbone interact. energy: -1.714 local terms energy: -651.835437 where: bonds (distance) C4'-P energy: -115.670 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -144.393 flat angles P-C4'-P energy: -92.794 tors. eta vs tors. theta energy: -169.024 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: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2034.274220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.274220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.274220 (E_RNA) where: Base-Base interactions energy: -1373.870 where: short stacking energy: -588.580 Base-Backbone interact. energy: -4.848 local terms energy: -655.557051 where: bonds (distance) C4'-P energy: -119.299 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -138.322 flat angles P-C4'-P energy: -82.004 tors. eta vs tors. theta energy: -182.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1991.456139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.456139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.456139 (E_RNA) where: Base-Base interactions energy: -1360.994 where: short stacking energy: -589.463 Base-Backbone interact. energy: -3.535 local terms energy: -626.927542 where: bonds (distance) C4'-P energy: -108.646 bonds (distance) P-C4' energy: -106.241 flat angles C4'-P-C4' energy: -140.749 flat angles P-C4'-P energy: -88.197 tors. eta vs tors. theta energy: -183.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1793.694868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.694868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.694868 (E_RNA) where: Base-Base interactions energy: -1198.703 where: short stacking energy: -505.326 Base-Backbone interact. energy: -1.672 local terms energy: -593.319854 where: bonds (distance) C4'-P energy: -102.007 bonds (distance) P-C4' energy: -126.644 flat angles C4'-P-C4' energy: -125.175 flat angles P-C4'-P energy: -86.578 tors. eta vs tors. theta energy: -152.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1629.449781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.449781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.449781 (E_RNA) where: Base-Base interactions energy: -1093.626 where: short stacking energy: -471.183 Base-Backbone interact. energy: -2.180 local terms energy: -533.644411 where: bonds (distance) C4'-P energy: -122.472 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -110.659 flat angles P-C4'-P energy: -67.337 tors. eta vs tors. theta energy: -130.398 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: 132 Temperature: 1.150000 Total energy: -1531.953247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.953247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.953247 (E_RNA) where: Base-Base interactions energy: -976.096 where: short stacking energy: -465.892 Base-Backbone interact. energy: -2.784 local terms energy: -553.073474 where: bonds (distance) C4'-P energy: -101.471 bonds (distance) P-C4' energy: -126.938 flat angles C4'-P-C4' energy: -123.605 flat angles P-C4'-P energy: -87.791 tors. eta vs tors. theta energy: -113.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1323.380387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.380387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.380387 (E_RNA) where: Base-Base interactions energy: -828.334 where: short stacking energy: -403.847 Base-Backbone interact. energy: 1.619 local terms energy: -496.665476 where: bonds (distance) C4'-P energy: -110.546 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -122.465 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: -87.190 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: 132 Temperature: 1.250000 Total energy: -920.821965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.821965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.821965 (E_RNA) where: Base-Base interactions energy: -535.843 where: short stacking energy: -271.122 Base-Backbone interact. energy: -0.331 local terms energy: -384.648476 where: bonds (distance) C4'-P energy: -88.281 bonds (distance) P-C4' energy: -102.379 flat angles C4'-P-C4' energy: -115.863 flat angles P-C4'-P energy: -56.993 tors. eta vs tors. theta energy: -21.132 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: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -588.966819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.966819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.966819 (E_RNA) where: Base-Base interactions energy: -254.829 where: short stacking energy: -171.640 Base-Backbone interact. energy: 0.034 local terms energy: -334.171849 where: bonds (distance) C4'-P energy: -113.450 bonds (distance) P-C4' energy: -95.419 flat angles C4'-P-C4' energy: -78.158 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: 22.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -503.213616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.213616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.213616 (E_RNA) where: Base-Base interactions energy: -167.249 where: short stacking energy: -153.643 Base-Backbone interact. energy: -3.602 local terms energy: -332.362722 where: bonds (distance) C4'-P energy: -108.763 bonds (distance) P-C4' energy: -119.635 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -48.301 tors. eta vs tors. theta energy: 26.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2142.589370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.589370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.589370 (E_RNA) where: Base-Base interactions energy: -1472.008 where: short stacking energy: -594.338 Base-Backbone interact. energy: -2.394 local terms energy: -668.186662 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -137.012 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -97.405 tors. eta vs tors. theta energy: -168.461 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: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2000.049506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.049506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.049506 (E_RNA) where: Base-Base interactions energy: -1350.184 where: short stacking energy: -589.504 Base-Backbone interact. energy: -2.946 local terms energy: -646.919662 where: bonds (distance) C4'-P energy: -119.785 bonds (distance) P-C4' energy: -131.958 flat angles C4'-P-C4' energy: -143.182 flat angles P-C4'-P energy: -76.540 tors. eta vs tors. theta energy: -175.455 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: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1949.613674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.613674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.613674 (E_RNA) where: Base-Base interactions energy: -1318.693 where: short stacking energy: -556.893 Base-Backbone interact. energy: -7.555 local terms energy: -623.365600 where: bonds (distance) C4'-P energy: -112.680 bonds (distance) P-C4' energy: -131.022 flat angles C4'-P-C4' energy: -129.734 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -153.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1803.124359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.124359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.124359 (E_RNA) where: Base-Base interactions energy: -1201.344 where: short stacking energy: -548.611 Base-Backbone interact. energy: 0.052 local terms energy: -601.832357 where: bonds (distance) C4'-P energy: -108.155 bonds (distance) P-C4' energy: -123.056 flat angles C4'-P-C4' energy: -124.343 flat angles P-C4'-P energy: -92.427 tors. eta vs tors. theta energy: -153.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1567.276464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.276464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.276464 (E_RNA) where: Base-Base interactions energy: -1015.390 where: short stacking energy: -463.577 Base-Backbone interact. energy: -2.274 local terms energy: -549.612145 where: bonds (distance) C4'-P energy: -122.492 bonds (distance) P-C4' energy: -124.259 flat angles C4'-P-C4' energy: -112.907 flat angles P-C4'-P energy: -68.190 tors. eta vs tors. theta energy: -121.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1483.058866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.058866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.058866 (E_RNA) where: Base-Base interactions energy: -951.717 where: short stacking energy: -433.050 Base-Backbone interact. energy: -1.698 local terms energy: -529.643254 where: bonds (distance) C4'-P energy: -107.741 bonds (distance) P-C4' energy: -109.703 flat angles C4'-P-C4' energy: -126.538 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -111.972 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: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1328.024357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.024357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.024357 (E_RNA) where: Base-Base interactions energy: -859.679 where: short stacking energy: -390.888 Base-Backbone interact. energy: 2.247 local terms energy: -470.592107 where: bonds (distance) C4'-P energy: -99.417 bonds (distance) P-C4' energy: -97.008 flat angles C4'-P-C4' energy: -116.326 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: -82.179 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: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1001.798015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.798015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.798015 (E_RNA) where: Base-Base interactions energy: -582.098 where: short stacking energy: -285.652 Base-Backbone interact. energy: -2.002 local terms energy: -417.698031 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -115.293 flat angles C4'-P-C4' energy: -111.600 flat angles P-C4'-P energy: -59.289 tors. eta vs tors. theta energy: -43.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -642.872027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.872027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.872027 (E_RNA) where: Base-Base interactions energy: -291.853 where: short stacking energy: -169.531 Base-Backbone interact. energy: 3.861 local terms energy: -354.879975 where: bonds (distance) C4'-P energy: -97.067 bonds (distance) P-C4' energy: -118.307 flat angles C4'-P-C4' energy: -100.309 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: 6.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -508.267990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.267990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.267990 (E_RNA) where: Base-Base interactions energy: -197.968 where: short stacking energy: -147.556 Base-Backbone interact. energy: -2.659 local terms energy: -307.641510 where: bonds (distance) C4'-P energy: -96.720 bonds (distance) P-C4' energy: -106.032 flat angles C4'-P-C4' energy: -82.369 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: 29.551 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: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2138.276759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.276759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.276759 (E_RNA) where: Base-Base interactions energy: -1471.172 where: short stacking energy: -607.554 Base-Backbone interact. energy: -4.358 local terms energy: -662.746242 where: bonds (distance) C4'-P energy: -119.068 bonds (distance) P-C4' energy: -133.355 flat angles C4'-P-C4' energy: -145.311 flat angles P-C4'-P energy: -94.067 tors. eta vs tors. theta energy: -170.945 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: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2023.675802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.675802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.675802 (E_RNA) where: Base-Base interactions energy: -1353.363 where: short stacking energy: -591.475 Base-Backbone interact. energy: -2.285 local terms energy: -668.028309 where: bonds (distance) C4'-P energy: -139.348 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -185.443 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: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1944.425405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.425405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.425405 (E_RNA) where: Base-Base interactions energy: -1306.904 where: short stacking energy: -559.159 Base-Backbone interact. energy: -3.039 local terms energy: -634.482105 where: bonds (distance) C4'-P energy: -121.192 bonds (distance) P-C4' energy: -120.952 flat angles C4'-P-C4' energy: -140.756 flat angles P-C4'-P energy: -85.591 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: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1817.718007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.718007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.718007 (E_RNA) where: Base-Base interactions energy: -1202.223 where: short stacking energy: -560.465 Base-Backbone interact. energy: -0.623 local terms energy: -614.871521 where: bonds (distance) C4'-P energy: -115.949 bonds (distance) P-C4' energy: -127.099 flat angles C4'-P-C4' energy: -139.441 flat angles P-C4'-P energy: -76.335 tors. eta vs tors. theta energy: -156.047 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: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1639.344920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.344920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.344920 (E_RNA) where: Base-Base interactions energy: -1079.868 where: short stacking energy: -509.569 Base-Backbone interact. energy: -1.582 local terms energy: -557.895396 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -119.623 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -150.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1469.105545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.105545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.105545 (E_RNA) where: Base-Base interactions energy: -968.904 where: short stacking energy: -432.057 Base-Backbone interact. energy: 1.537 local terms energy: -501.738720 where: bonds (distance) C4'-P energy: -99.023 bonds (distance) P-C4' energy: -109.435 flat angles C4'-P-C4' energy: -117.756 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -98.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1390.641086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.641086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.641086 (E_RNA) where: Base-Base interactions energy: -917.060 where: short stacking energy: -440.484 Base-Backbone interact. energy: -0.315 local terms energy: -473.265341 where: bonds (distance) C4'-P energy: -111.106 bonds (distance) P-C4' energy: -109.897 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: -101.125 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: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1017.983777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.983777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.983777 (E_RNA) where: Base-Base interactions energy: -608.737 where: short stacking energy: -314.720 Base-Backbone interact. energy: 5.844 local terms energy: -415.090506 where: bonds (distance) C4'-P energy: -113.009 bonds (distance) P-C4' energy: -88.147 flat angles C4'-P-C4' energy: -104.307 flat angles P-C4'-P energy: -59.539 tors. eta vs tors. theta energy: -50.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -699.664315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.664315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.664315 (E_RNA) where: Base-Base interactions energy: -360.138 where: short stacking energy: -183.269 Base-Backbone interact. energy: -3.367 local terms energy: -336.159942 where: bonds (distance) C4'-P energy: -102.719 bonds (distance) P-C4' energy: -98.027 flat angles C4'-P-C4' energy: -94.763 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: 6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -496.072687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.072687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.072687 (E_RNA) where: Base-Base interactions energy: -167.191 where: short stacking energy: -137.772 Base-Backbone interact. energy: -1.327 local terms energy: -327.554482 where: bonds (distance) C4'-P energy: -102.557 bonds (distance) P-C4' energy: -115.526 flat angles C4'-P-C4' energy: -80.534 flat angles P-C4'-P energy: -47.377 tors. eta vs tors. theta energy: 18.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2121.124425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.124425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.124425 (E_RNA) where: Base-Base interactions energy: -1451.662 where: short stacking energy: -603.786 Base-Backbone interact. energy: -0.156 local terms energy: -669.306480 where: bonds (distance) C4'-P energy: -124.479 bonds (distance) P-C4' energy: -137.009 flat angles C4'-P-C4' energy: -142.504 flat angles P-C4'-P energy: -96.878 tors. eta vs tors. theta energy: -168.437 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: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2039.459426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.459426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.459426 (E_RNA) where: Base-Base interactions energy: -1393.071 where: short stacking energy: -610.973 Base-Backbone interact. energy: -3.144 local terms energy: -643.245189 where: bonds (distance) C4'-P energy: -121.793 bonds (distance) P-C4' energy: -119.748 flat angles C4'-P-C4' energy: -135.540 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -184.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1984.951872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.951872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.951872 (E_RNA) where: Base-Base interactions energy: -1356.452 where: short stacking energy: -589.481 Base-Backbone interact. energy: -6.272 local terms energy: -622.227596 where: bonds (distance) C4'-P energy: -114.386 bonds (distance) P-C4' energy: -112.570 flat angles C4'-P-C4' energy: -132.539 flat angles P-C4'-P energy: -85.077 tors. eta vs tors. theta energy: -177.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1855.430744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.430744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.430744 (E_RNA) where: Base-Base interactions energy: -1225.375 where: short stacking energy: -558.448 Base-Backbone interact. energy: 1.831 local terms energy: -631.886498 where: bonds (distance) C4'-P energy: -114.220 bonds (distance) P-C4' energy: -114.789 flat angles C4'-P-C4' energy: -142.198 flat angles P-C4'-P energy: -83.747 tors. eta vs tors. theta energy: -176.933 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: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1683.277865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.277865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.277865 (E_RNA) where: Base-Base interactions energy: -1095.914 where: short stacking energy: -518.171 Base-Backbone interact. energy: -3.088 local terms energy: -584.276569 where: bonds (distance) C4'-P energy: -99.781 bonds (distance) P-C4' energy: -123.861 flat angles C4'-P-C4' energy: -136.222 flat angles P-C4'-P energy: -80.396 tors. eta vs tors. theta energy: -144.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1483.902825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.902825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.902825 (E_RNA) where: Base-Base interactions energy: -973.575 where: short stacking energy: -459.101 Base-Backbone interact. energy: -1.886 local terms energy: -508.441994 where: bonds (distance) C4'-P energy: -92.669 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -124.190 flat angles P-C4'-P energy: -76.159 tors. eta vs tors. theta energy: -103.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1457.475750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.475750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.475750 (E_RNA) where: Base-Base interactions energy: -935.954 where: short stacking energy: -423.842 Base-Backbone interact. energy: -3.158 local terms energy: -518.363769 where: bonds (distance) C4'-P energy: -112.194 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -118.827 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -103.179 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: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1081.735913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.735913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.735913 (E_RNA) where: Base-Base interactions energy: -662.310 where: short stacking energy: -315.695 Base-Backbone interact. energy: -1.252 local terms energy: -418.173245 where: bonds (distance) C4'-P energy: -95.843 bonds (distance) P-C4' energy: -112.734 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -46.823 tors. eta vs tors. theta energy: -56.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -715.696065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.696065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.696065 (E_RNA) where: Base-Base interactions energy: -349.949 where: short stacking energy: -208.765 Base-Backbone interact. energy: -4.549 local terms energy: -361.198072 where: bonds (distance) C4'-P energy: -96.833 bonds (distance) P-C4' energy: -113.567 flat angles C4'-P-C4' energy: -102.535 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -575.906458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.906458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.906458 (E_RNA) where: Base-Base interactions energy: -244.298 where: short stacking energy: -165.578 Base-Backbone interact. energy: 0.394 local terms energy: -332.002189 where: bonds (distance) C4'-P energy: -103.535 bonds (distance) P-C4' energy: -88.029 flat angles C4'-P-C4' energy: -92.309 flat angles P-C4'-P energy: -63.907 tors. eta vs tors. theta energy: 15.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2145.517926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.517926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.517926 (E_RNA) where: Base-Base interactions energy: -1455.970 where: short stacking energy: -606.752 Base-Backbone interact. energy: -3.507 local terms energy: -686.040499 where: bonds (distance) C4'-P energy: -135.403 bonds (distance) P-C4' energy: -129.632 flat angles C4'-P-C4' energy: -150.816 flat angles P-C4'-P energy: -96.371 tors. eta vs tors. theta energy: -173.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2034.664212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.664212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.664212 (E_RNA) where: Base-Base interactions energy: -1374.000 where: short stacking energy: -603.636 Base-Backbone interact. energy: -1.504 local terms energy: -659.160502 where: bonds (distance) C4'-P energy: -120.325 bonds (distance) P-C4' energy: -126.396 flat angles C4'-P-C4' energy: -140.568 flat angles P-C4'-P energy: -96.944 tors. eta vs tors. theta energy: -174.928 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: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1992.334626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.334626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.334626 (E_RNA) where: Base-Base interactions energy: -1337.760 where: short stacking energy: -560.884 Base-Backbone interact. energy: -5.637 local terms energy: -648.937279 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -132.099 flat angles C4'-P-C4' energy: -131.344 flat angles P-C4'-P energy: -81.837 tors. eta vs tors. theta energy: -173.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1802.969993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.969993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.969993 (E_RNA) where: Base-Base interactions energy: -1203.606 where: short stacking energy: -533.659 Base-Backbone interact. energy: -1.344 local terms energy: -598.020267 where: bonds (distance) C4'-P energy: -114.561 bonds (distance) P-C4' energy: -109.080 flat angles C4'-P-C4' energy: -137.105 flat angles P-C4'-P energy: -75.614 tors. eta vs tors. theta energy: -161.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1606.821423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.821423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.821423 (E_RNA) where: Base-Base interactions energy: -1055.187 where: short stacking energy: -497.306 Base-Backbone interact. energy: -2.434 local terms energy: -549.200294 where: bonds (distance) C4'-P energy: -121.961 bonds (distance) P-C4' energy: -108.041 flat angles C4'-P-C4' energy: -127.976 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -130.371 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: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1474.087842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.087842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.087842 (E_RNA) where: Base-Base interactions energy: -969.198 where: short stacking energy: -433.404 Base-Backbone interact. energy: 0.839 local terms energy: -505.728746 where: bonds (distance) C4'-P energy: -96.562 bonds (distance) P-C4' energy: -124.458 flat angles C4'-P-C4' energy: -109.096 flat angles P-C4'-P energy: -77.598 tors. eta vs tors. theta energy: -98.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1358.790596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.790596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.790596 (E_RNA) where: Base-Base interactions energy: -894.563 where: short stacking energy: -425.767 Base-Backbone interact. energy: -0.960 local terms energy: -463.267725 where: bonds (distance) C4'-P energy: -82.146 bonds (distance) P-C4' energy: -108.707 flat angles C4'-P-C4' energy: -111.639 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -89.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1009.438603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.438603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.438603 (E_RNA) where: Base-Base interactions energy: -584.243 where: short stacking energy: -277.045 Base-Backbone interact. energy: -3.599 local terms energy: -421.596614 where: bonds (distance) C4'-P energy: -98.451 bonds (distance) P-C4' energy: -124.655 flat angles C4'-P-C4' energy: -92.804 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -48.067 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: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -649.796912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.796912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.796912 (E_RNA) where: Base-Base interactions energy: -269.062 where: short stacking energy: -163.614 Base-Backbone interact. energy: 3.489 local terms energy: -384.223441 where: bonds (distance) C4'-P energy: -114.485 bonds (distance) P-C4' energy: -125.612 flat angles C4'-P-C4' energy: -97.590 flat angles P-C4'-P energy: -63.192 tors. eta vs tors. theta energy: 16.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -600.577539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.577539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.577539 (E_RNA) where: Base-Base interactions energy: -238.706 where: short stacking energy: -151.713 Base-Backbone interact. energy: 2.307 local terms energy: -364.179415 where: bonds (distance) C4'-P energy: -110.145 bonds (distance) P-C4' energy: -103.773 flat angles C4'-P-C4' energy: -100.325 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: 4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2141.255905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.255905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.255905 (E_RNA) where: Base-Base interactions energy: -1467.996 where: short stacking energy: -614.309 Base-Backbone interact. energy: -4.754 local terms energy: -668.505169 where: bonds (distance) C4'-P energy: -136.175 bonds (distance) P-C4' energy: -128.497 flat angles C4'-P-C4' energy: -133.475 flat angles P-C4'-P energy: -103.216 tors. eta vs tors. theta energy: -167.141 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: 137 Temperature: 0.950000 Total energy: -1999.669622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.669622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.669622 (E_RNA) where: Base-Base interactions energy: -1359.876 where: short stacking energy: -592.088 Base-Backbone interact. energy: -2.914 local terms energy: -636.879399 where: bonds (distance) C4'-P energy: -137.076 bonds (distance) P-C4' energy: -114.990 flat angles C4'-P-C4' energy: -145.404 flat angles P-C4'-P energy: -68.496 tors. eta vs tors. theta energy: -170.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1978.678631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.678631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.678631 (E_RNA) where: Base-Base interactions energy: -1350.595 where: short stacking energy: -583.954 Base-Backbone interact. energy: -2.903 local terms energy: -625.180809 where: bonds (distance) C4'-P energy: -103.887 bonds (distance) P-C4' energy: -120.722 flat angles C4'-P-C4' energy: -133.296 flat angles P-C4'-P energy: -89.804 tors. eta vs tors. theta energy: -177.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1816.108873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.108873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.108873 (E_RNA) where: Base-Base interactions energy: -1250.269 where: short stacking energy: -553.428 Base-Backbone interact. energy: -2.892 local terms energy: -562.948219 where: bonds (distance) C4'-P energy: -118.822 bonds (distance) P-C4' energy: -104.173 flat angles C4'-P-C4' energy: -120.171 flat angles P-C4'-P energy: -77.837 tors. eta vs tors. theta energy: -141.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1663.196190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.196190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.196190 (E_RNA) where: Base-Base interactions energy: -1116.626 where: short stacking energy: -492.651 Base-Backbone interact. energy: -3.081 local terms energy: -543.489392 where: bonds (distance) C4'-P energy: -97.414 bonds (distance) P-C4' energy: -123.733 flat angles C4'-P-C4' energy: -112.720 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -130.847 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: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1441.930979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.930979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.930979 (E_RNA) where: Base-Base interactions energy: -932.487 where: short stacking energy: -390.333 Base-Backbone interact. energy: -1.841 local terms energy: -507.602273 where: bonds (distance) C4'-P energy: -106.390 bonds (distance) P-C4' energy: -111.522 flat angles C4'-P-C4' energy: -126.672 flat angles P-C4'-P energy: -79.196 tors. eta vs tors. theta energy: -83.822 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: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1381.528156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.528156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.528156 (E_RNA) where: Base-Base interactions energy: -904.073 where: short stacking energy: -447.474 Base-Backbone interact. energy: -2.612 local terms energy: -474.842518 where: bonds (distance) C4'-P energy: -94.621 bonds (distance) P-C4' energy: -96.740 flat angles C4'-P-C4' energy: -118.112 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -88.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -953.919359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.919359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.919359 (E_RNA) where: Base-Base interactions energy: -530.152 where: short stacking energy: -266.642 Base-Backbone interact. energy: 1.431 local terms energy: -425.198460 where: bonds (distance) C4'-P energy: -99.885 bonds (distance) P-C4' energy: -111.628 flat angles C4'-P-C4' energy: -104.478 flat angles P-C4'-P energy: -74.603 tors. eta vs tors. theta energy: -34.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -665.845280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.845280 (E_RNA) where: Base-Base interactions energy: -329.066 where: short stacking energy: -194.171 Base-Backbone interact. energy: -1.533 local terms energy: -335.246121 where: bonds (distance) C4'-P energy: -96.262 bonds (distance) P-C4' energy: -106.318 flat angles C4'-P-C4' energy: -77.944 flat angles P-C4'-P energy: -64.495 tors. eta vs tors. theta energy: 9.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -538.286436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.286436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.286436 (E_RNA) where: Base-Base interactions energy: -195.740 where: short stacking energy: -154.947 Base-Backbone interact. energy: -0.725 local terms energy: -341.820988 where: bonds (distance) C4'-P energy: -102.314 bonds (distance) P-C4' energy: -120.260 flat angles C4'-P-C4' energy: -102.887 flat angles P-C4'-P energy: -20.976 tors. eta vs tors. theta energy: 4.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2104.943350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.943350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.943350 (E_RNA) where: Base-Base interactions energy: -1445.886 where: short stacking energy: -595.662 Base-Backbone interact. energy: -2.765 local terms energy: -656.291773 where: bonds (distance) C4'-P energy: -132.907 bonds (distance) P-C4' energy: -135.075 flat angles C4'-P-C4' energy: -133.058 flat angles P-C4'-P energy: -93.019 tors. eta vs tors. theta energy: -162.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2037.518324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.518324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.518324 (E_RNA) where: Base-Base interactions energy: -1380.566 where: short stacking energy: -582.648 Base-Backbone interact. energy: -1.080 local terms energy: -655.872329 where: bonds (distance) C4'-P energy: -137.787 bonds (distance) P-C4' energy: -125.076 flat angles C4'-P-C4' energy: -127.996 flat angles P-C4'-P energy: -93.349 tors. eta vs tors. theta energy: -171.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2006.017818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.017818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.017818 (E_RNA) where: Base-Base interactions energy: -1367.245 where: short stacking energy: -566.651 Base-Backbone interact. energy: -3.341 local terms energy: -635.431285 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -114.142 flat angles C4'-P-C4' energy: -132.796 flat angles P-C4'-P energy: -90.820 tors. eta vs tors. theta energy: -170.254 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: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1813.275052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.275052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.275052 (E_RNA) where: Base-Base interactions energy: -1214.816 where: short stacking energy: -530.729 Base-Backbone interact. energy: -3.381 local terms energy: -595.078012 where: bonds (distance) C4'-P energy: -127.185 bonds (distance) P-C4' energy: -105.327 flat angles C4'-P-C4' energy: -128.981 flat angles P-C4'-P energy: -75.592 tors. eta vs tors. theta energy: -157.994 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: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1728.721344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.721344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.721344 (E_RNA) where: Base-Base interactions energy: -1131.252 where: short stacking energy: -530.368 Base-Backbone interact. energy: -4.916 local terms energy: -592.553882 where: bonds (distance) C4'-P energy: -103.602 bonds (distance) P-C4' energy: -128.908 flat angles C4'-P-C4' energy: -119.693 flat angles P-C4'-P energy: -87.258 tors. eta vs tors. theta energy: -153.094 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: 10 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1493.796346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.796346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.796346 (E_RNA) where: Base-Base interactions energy: -955.074 where: short stacking energy: -440.774 Base-Backbone interact. energy: 0.354 local terms energy: -539.076561 where: bonds (distance) C4'-P energy: -105.536 bonds (distance) P-C4' energy: -119.801 flat angles C4'-P-C4' energy: -114.375 flat angles P-C4'-P energy: -92.840 tors. eta vs tors. theta energy: -106.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1324.014122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.014122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.014122 (E_RNA) where: Base-Base interactions energy: -837.927 where: short stacking energy: -369.100 Base-Backbone interact. energy: 1.252 local terms energy: -487.339019 where: bonds (distance) C4'-P energy: -101.530 bonds (distance) P-C4' energy: -112.222 flat angles C4'-P-C4' energy: -111.171 flat angles P-C4'-P energy: -68.631 tors. eta vs tors. theta energy: -93.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -964.321980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.321980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.321980 (E_RNA) where: Base-Base interactions energy: -530.756 where: short stacking energy: -275.422 Base-Backbone interact. energy: 3.789 local terms energy: -437.354542 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -115.398 flat angles C4'-P-C4' energy: -92.941 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -31.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -684.311069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.311069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.311069 (E_RNA) where: Base-Base interactions energy: -355.251 where: short stacking energy: -212.901 Base-Backbone interact. energy: -3.701 local terms energy: -325.359338 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -112.228 flat angles C4'-P-C4' energy: -85.437 flat angles P-C4'-P energy: -55.826 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -563.145900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.145900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.145900 (E_RNA) where: Base-Base interactions energy: -268.132 where: short stacking energy: -189.489 Base-Backbone interact. energy: 2.112 local terms energy: -297.125877 where: bonds (distance) C4'-P energy: -81.417 bonds (distance) P-C4' energy: -113.508 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -38.035 tors. eta vs tors. theta energy: 9.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2073.720739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.720739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.720739 (E_RNA) where: Base-Base interactions energy: -1436.750 where: short stacking energy: -599.675 Base-Backbone interact. energy: -5.517 local terms energy: -631.454252 where: bonds (distance) C4'-P energy: -118.232 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -137.125 flat angles P-C4'-P energy: -85.229 tors. eta vs tors. theta energy: -162.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2055.552270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.552270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.552270 (E_RNA) where: Base-Base interactions energy: -1382.553 where: short stacking energy: -607.479 Base-Backbone interact. energy: 0.144 local terms energy: -673.143330 where: bonds (distance) C4'-P energy: -134.337 bonds (distance) P-C4' energy: -119.204 flat angles C4'-P-C4' energy: -140.828 flat angles P-C4'-P energy: -96.996 tors. eta vs tors. theta energy: -181.778 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: 139 Temperature: 1.000000 Total energy: -2005.390776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.390776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.390776 (E_RNA) where: Base-Base interactions energy: -1373.928 where: short stacking energy: -580.203 Base-Backbone interact. energy: -5.105 local terms energy: -626.357709 where: bonds (distance) C4'-P energy: -106.500 bonds (distance) P-C4' energy: -131.937 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -84.691 tors. eta vs tors. theta energy: -164.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1801.892957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.892957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.892957 (E_RNA) where: Base-Base interactions energy: -1219.538 where: short stacking energy: -545.873 Base-Backbone interact. energy: -1.127 local terms energy: -581.228392 where: bonds (distance) C4'-P energy: -98.885 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: -156.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1648.214676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.214676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.214676 (E_RNA) where: Base-Base interactions energy: -1085.879 where: short stacking energy: -483.269 Base-Backbone interact. energy: -1.237 local terms energy: -561.098647 where: bonds (distance) C4'-P energy: -111.437 bonds (distance) P-C4' energy: -119.276 flat angles C4'-P-C4' energy: -126.688 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -132.024 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: 6, replica: 10 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1496.460327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.460327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.460327 (E_RNA) where: Base-Base interactions energy: -989.748 where: short stacking energy: -445.823 Base-Backbone interact. energy: 1.697 local terms energy: -508.410273 where: bonds (distance) C4'-P energy: -101.039 bonds (distance) P-C4' energy: -115.754 flat angles C4'-P-C4' energy: -121.145 flat angles P-C4'-P energy: -57.089 tors. eta vs tors. theta energy: -113.384 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: 139 Temperature: 1.200000 Total energy: -1316.093864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.093864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.093864 (E_RNA) where: Base-Base interactions energy: -843.069 where: short stacking energy: -361.752 Base-Backbone interact. energy: -2.788 local terms energy: -470.236140 where: bonds (distance) C4'-P energy: -101.970 bonds (distance) P-C4' energy: -99.073 flat angles C4'-P-C4' energy: -119.537 flat angles P-C4'-P energy: -65.061 tors. eta vs tors. theta energy: -84.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -972.679916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.679916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.679916 (E_RNA) where: Base-Base interactions energy: -566.410 where: short stacking energy: -284.967 Base-Backbone interact. energy: -3.482 local terms energy: -402.787856 where: bonds (distance) C4'-P energy: -104.455 bonds (distance) P-C4' energy: -127.375 flat angles C4'-P-C4' energy: -105.737 flat angles P-C4'-P energy: -47.429 tors. eta vs tors. theta energy: -17.791 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: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -732.692529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.692529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.692529 (E_RNA) where: Base-Base interactions energy: -350.555 where: short stacking energy: -207.882 Base-Backbone interact. energy: 2.206 local terms energy: -384.343680 where: bonds (distance) C4'-P energy: -87.300 bonds (distance) P-C4' energy: -108.043 flat angles C4'-P-C4' energy: -111.077 flat angles P-C4'-P energy: -67.440 tors. eta vs tors. theta energy: -10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -587.147203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.147203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.147203 (E_RNA) where: Base-Base interactions energy: -267.188 where: short stacking energy: -156.010 Base-Backbone interact. energy: 0.107 local terms energy: -320.065423 where: bonds (distance) C4'-P energy: -100.704 bonds (distance) P-C4' energy: -102.291 flat angles C4'-P-C4' energy: -90.868 flat angles P-C4'-P energy: -50.083 tors. eta vs tors. theta energy: 23.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2116.179659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.179659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.179659 (E_RNA) where: Base-Base interactions energy: -1459.020 where: short stacking energy: -622.438 Base-Backbone interact. energy: -5.109 local terms energy: -652.050994 where: bonds (distance) C4'-P energy: -123.368 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -145.089 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -160.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1993.226825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.226825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.226825 (E_RNA) where: Base-Base interactions energy: -1373.306 where: short stacking energy: -622.857 Base-Backbone interact. energy: -2.504 local terms energy: -617.417243 where: bonds (distance) C4'-P energy: -101.055 bonds (distance) P-C4' energy: -117.260 flat angles C4'-P-C4' energy: -126.355 flat angles P-C4'-P energy: -87.403 tors. eta vs tors. theta energy: -185.344 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: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1955.503877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.503877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.503877 (E_RNA) where: Base-Base interactions energy: -1336.835 where: short stacking energy: -561.794 Base-Backbone interact. energy: -4.876 local terms energy: -613.793307 where: bonds (distance) C4'-P energy: -102.532 bonds (distance) P-C4' energy: -122.389 flat angles C4'-P-C4' energy: -144.254 flat angles P-C4'-P energy: -85.126 tors. eta vs tors. theta energy: -159.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1831.160543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.160543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.160543 (E_RNA) where: Base-Base interactions energy: -1208.632 where: short stacking energy: -554.041 Base-Backbone interact. energy: -2.095 local terms energy: -620.433979 where: bonds (distance) C4'-P energy: -109.465 bonds (distance) P-C4' energy: -127.248 flat angles C4'-P-C4' energy: -133.251 flat angles P-C4'-P energy: -84.198 tors. eta vs tors. theta energy: -166.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1693.903299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.903299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.903299 (E_RNA) where: Base-Base interactions energy: -1135.385 where: short stacking energy: -524.238 Base-Backbone interact. energy: -3.501 local terms energy: -555.017652 where: bonds (distance) C4'-P energy: -98.795 bonds (distance) P-C4' energy: -113.707 flat angles C4'-P-C4' energy: -131.895 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: -143.822 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: 140 Temperature: 1.150000 Total energy: -1494.034475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.034475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.034475 (E_RNA) where: Base-Base interactions energy: -966.651 where: short stacking energy: -427.538 Base-Backbone interact. energy: 0.626 local terms energy: -528.009948 where: bonds (distance) C4'-P energy: -117.564 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -126.400 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -107.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1295.943138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.943138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.943138 (E_RNA) where: Base-Base interactions energy: -801.765 where: short stacking energy: -377.394 Base-Backbone interact. energy: 0.152 local terms energy: -494.330081 where: bonds (distance) C4'-P energy: -111.215 bonds (distance) P-C4' energy: -117.756 flat angles C4'-P-C4' energy: -106.353 flat angles P-C4'-P energy: -78.707 tors. eta vs tors. theta energy: -80.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1083.375497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.375497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.375497 (E_RNA) where: Base-Base interactions energy: -628.260 where: short stacking energy: -299.494 Base-Backbone interact. energy: 1.285 local terms energy: -456.400428 where: bonds (distance) C4'-P energy: -99.537 bonds (distance) P-C4' energy: -119.520 flat angles C4'-P-C4' energy: -118.029 flat angles P-C4'-P energy: -61.943 tors. eta vs tors. theta energy: -57.371 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: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -764.367718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.367718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.367718 (E_RNA) where: Base-Base interactions energy: -394.804 where: short stacking energy: -223.704 Base-Backbone interact. energy: -2.595 local terms energy: -366.967966 where: bonds (distance) C4'-P energy: -89.257 bonds (distance) P-C4' energy: -108.509 flat angles C4'-P-C4' energy: -85.293 flat angles P-C4'-P energy: -61.655 tors. eta vs tors. theta energy: -22.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -549.433510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.433510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.433510 (E_RNA) where: Base-Base interactions energy: -241.923 where: short stacking energy: -173.276 Base-Backbone interact. energy: 3.101 local terms energy: -310.611934 where: bonds (distance) C4'-P energy: -101.347 bonds (distance) P-C4' energy: -94.966 flat angles C4'-P-C4' energy: -77.306 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: 18.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2122.506032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.506032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.506032 (E_RNA) where: Base-Base interactions energy: -1463.367 where: short stacking energy: -621.862 Base-Backbone interact. energy: -2.414 local terms energy: -656.724902 where: bonds (distance) C4'-P energy: -128.282 bonds (distance) P-C4' energy: -112.328 flat angles C4'-P-C4' energy: -146.841 flat angles P-C4'-P energy: -95.880 tors. eta vs tors. theta energy: -173.394 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: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1999.315246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.315246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.315246 (E_RNA) where: Base-Base interactions energy: -1338.548 where: short stacking energy: -598.694 Base-Backbone interact. energy: -5.029 local terms energy: -655.737892 where: bonds (distance) C4'-P energy: -125.469 bonds (distance) P-C4' energy: -134.064 flat angles C4'-P-C4' energy: -135.080 flat angles P-C4'-P energy: -83.094 tors. eta vs tors. theta energy: -178.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1927.168005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.168005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.168005 (E_RNA) where: Base-Base interactions energy: -1325.198 where: short stacking energy: -565.519 Base-Backbone interact. energy: -5.869 local terms energy: -596.101170 where: bonds (distance) C4'-P energy: -104.736 bonds (distance) P-C4' energy: -120.284 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -92.041 tors. eta vs tors. theta energy: -157.951 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: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1854.664528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.664528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.664528 (E_RNA) where: Base-Base interactions energy: -1234.311 where: short stacking energy: -543.583 Base-Backbone interact. energy: -1.570 local terms energy: -618.783807 where: bonds (distance) C4'-P energy: -116.469 bonds (distance) P-C4' energy: -109.992 flat angles C4'-P-C4' energy: -144.759 flat angles P-C4'-P energy: -82.559 tors. eta vs tors. theta energy: -165.005 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: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1656.768781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.768781 (E_RNA) where: Base-Base interactions energy: -1097.906 where: short stacking energy: -508.436 Base-Backbone interact. energy: -0.878 local terms energy: -557.984389 where: bonds (distance) C4'-P energy: -119.840 bonds (distance) P-C4' energy: -112.233 flat angles C4'-P-C4' energy: -113.349 flat angles P-C4'-P energy: -71.565 tors. eta vs tors. theta energy: -140.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1523.605993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.605993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.605993 (E_RNA) where: Base-Base interactions energy: -1018.288 where: short stacking energy: -454.902 Base-Backbone interact. energy: -3.509 local terms energy: -501.809447 where: bonds (distance) C4'-P energy: -98.297 bonds (distance) P-C4' energy: -105.917 flat angles C4'-P-C4' energy: -114.172 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -103.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1318.758514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.758514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.758514 (E_RNA) where: Base-Base interactions energy: -848.301 where: short stacking energy: -391.863 Base-Backbone interact. energy: -2.183 local terms energy: -468.275212 where: bonds (distance) C4'-P energy: -96.218 bonds (distance) P-C4' energy: -101.818 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -73.930 tors. eta vs tors. theta energy: -88.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1090.452004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.452004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.452004 (E_RNA) where: Base-Base interactions energy: -662.096 where: short stacking energy: -350.826 Base-Backbone interact. energy: 0.862 local terms energy: -429.217374 where: bonds (distance) C4'-P energy: -97.671 bonds (distance) P-C4' energy: -107.995 flat angles C4'-P-C4' energy: -89.446 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -73.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -738.664807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.664807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.664807 (E_RNA) where: Base-Base interactions energy: -370.921 where: short stacking energy: -227.502 Base-Backbone interact. energy: -5.076 local terms energy: -362.667748 where: bonds (distance) C4'-P energy: -85.245 bonds (distance) P-C4' energy: -107.836 flat angles C4'-P-C4' energy: -102.412 flat angles P-C4'-P energy: -41.664 tors. eta vs tors. theta energy: -25.511 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: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -563.508266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.508266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.508266 (E_RNA) where: Base-Base interactions energy: -257.860 where: short stacking energy: -169.977 Base-Backbone interact. energy: 0.102 local terms energy: -305.750062 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -110.310 flat angles C4'-P-C4' energy: -78.838 flat angles P-C4'-P energy: -41.324 tors. eta vs tors. theta energy: 16.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2116.632515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.632515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.632515 (E_RNA) where: Base-Base interactions energy: -1465.234 where: short stacking energy: -624.501 Base-Backbone interact. energy: -4.105 local terms energy: -647.293460 where: bonds (distance) C4'-P energy: -134.443 bonds (distance) P-C4' energy: -130.739 flat angles C4'-P-C4' energy: -131.447 flat angles P-C4'-P energy: -89.018 tors. eta vs tors. theta energy: -161.646 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: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1995.558220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.558220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.558220 (E_RNA) where: Base-Base interactions energy: -1346.400 where: short stacking energy: -610.742 Base-Backbone interact. energy: -2.138 local terms energy: -647.019947 where: bonds (distance) C4'-P energy: -125.800 bonds (distance) P-C4' energy: -130.938 flat angles C4'-P-C4' energy: -129.672 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -174.882 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: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1944.302854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.302854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.302854 (E_RNA) where: Base-Base interactions energy: -1297.038 where: short stacking energy: -533.767 Base-Backbone interact. energy: -2.939 local terms energy: -644.326421 where: bonds (distance) C4'-P energy: -119.259 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -143.249 flat angles P-C4'-P energy: -90.518 tors. eta vs tors. theta energy: -155.070 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: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1908.556407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.556407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.556407 (E_RNA) where: Base-Base interactions energy: -1284.355 where: short stacking energy: -572.514 Base-Backbone interact. energy: 0.691 local terms energy: -624.892459 where: bonds (distance) C4'-P energy: -111.242 bonds (distance) P-C4' energy: -127.751 flat angles C4'-P-C4' energy: -121.474 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -179.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1667.656057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.656057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.656057 (E_RNA) where: Base-Base interactions energy: -1094.535 where: short stacking energy: -490.446 Base-Backbone interact. energy: -3.334 local terms energy: -569.787171 where: bonds (distance) C4'-P energy: -110.324 bonds (distance) P-C4' energy: -114.064 flat angles C4'-P-C4' energy: -119.999 flat angles P-C4'-P energy: -78.909 tors. eta vs tors. theta energy: -146.492 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: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1506.439230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.439230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.439230 (E_RNA) where: Base-Base interactions energy: -977.800 where: short stacking energy: -444.726 Base-Backbone interact. energy: 3.800 local terms energy: -532.438934 where: bonds (distance) C4'-P energy: -115.352 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -134.616 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -87.991 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: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1311.628459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.628459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.628459 (E_RNA) where: Base-Base interactions energy: -799.881 where: short stacking energy: -366.705 Base-Backbone interact. energy: -0.195 local terms energy: -511.552657 where: bonds (distance) C4'-P energy: -112.030 bonds (distance) P-C4' energy: -111.099 flat angles C4'-P-C4' energy: -124.117 flat angles P-C4'-P energy: -82.467 tors. eta vs tors. theta energy: -81.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1048.410076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.410076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.410076 (E_RNA) where: Base-Base interactions energy: -627.417 where: short stacking energy: -309.677 Base-Backbone interact. energy: -2.545 local terms energy: -418.447842 where: bonds (distance) C4'-P energy: -116.134 bonds (distance) P-C4' energy: -91.746 flat angles C4'-P-C4' energy: -87.908 flat angles P-C4'-P energy: -80.603 tors. eta vs tors. theta energy: -42.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -738.117395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.117395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.117395 (E_RNA) where: Base-Base interactions energy: -373.405 where: short stacking energy: -202.671 Base-Backbone interact. energy: 2.885 local terms energy: -367.597314 where: bonds (distance) C4'-P energy: -92.991 bonds (distance) P-C4' energy: -109.716 flat angles C4'-P-C4' energy: -92.542 flat angles P-C4'-P energy: -70.289 tors. eta vs tors. theta energy: -2.059 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: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -578.295470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.295470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.295470 (E_RNA) where: Base-Base interactions energy: -244.585 where: short stacking energy: -173.466 Base-Backbone interact. energy: 2.120 local terms energy: -335.831192 where: bonds (distance) C4'-P energy: -113.168 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -92.428 flat angles P-C4'-P energy: -37.621 tors. eta vs tors. theta energy: 12.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2130.870200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.870200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.870200 (E_RNA) where: Base-Base interactions energy: -1487.318 where: short stacking energy: -598.066 Base-Backbone interact. energy: -2.439 local terms energy: -641.113732 where: bonds (distance) C4'-P energy: -115.047 bonds (distance) P-C4' energy: -122.418 flat angles C4'-P-C4' energy: -144.817 flat angles P-C4'-P energy: -90.180 tors. eta vs tors. theta energy: -168.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2023.870656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.870656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.870656 (E_RNA) where: Base-Base interactions energy: -1371.023 where: short stacking energy: -596.438 Base-Backbone interact. energy: -2.087 local terms energy: -650.760265 where: bonds (distance) C4'-P energy: -110.970 bonds (distance) P-C4' energy: -129.186 flat angles C4'-P-C4' energy: -141.416 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -173.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1969.160733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.160733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.160733 (E_RNA) where: Base-Base interactions energy: -1327.349 where: short stacking energy: -598.653 Base-Backbone interact. energy: -2.006 local terms energy: -639.805898 where: bonds (distance) C4'-P energy: -122.269 bonds (distance) P-C4' energy: -122.881 flat angles C4'-P-C4' energy: -138.590 flat angles P-C4'-P energy: -79.851 tors. eta vs tors. theta energy: -176.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1898.129144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.129144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.129144 (E_RNA) where: Base-Base interactions energy: -1270.381 where: short stacking energy: -543.131 Base-Backbone interact. energy: 1.468 local terms energy: -629.216686 where: bonds (distance) C4'-P energy: -104.053 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -132.342 flat angles P-C4'-P energy: -93.694 tors. eta vs tors. theta energy: -170.701 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: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1705.740388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.740388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.740388 (E_RNA) where: Base-Base interactions energy: -1106.461 where: short stacking energy: -491.144 Base-Backbone interact. energy: 0.527 local terms energy: -599.805969 where: bonds (distance) C4'-P energy: -114.383 bonds (distance) P-C4' energy: -135.980 flat angles C4'-P-C4' energy: -128.390 flat angles P-C4'-P energy: -84.089 tors. eta vs tors. theta energy: -136.965 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: 10 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1497.228924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.228924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.228924 (E_RNA) where: Base-Base interactions energy: -992.943 where: short stacking energy: -430.789 Base-Backbone interact. energy: 1.875 local terms energy: -506.161292 where: bonds (distance) C4'-P energy: -102.020 bonds (distance) P-C4' energy: -117.670 flat angles C4'-P-C4' energy: -122.527 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: -99.977 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: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1317.274994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.274994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.274994 (E_RNA) where: Base-Base interactions energy: -809.199 where: short stacking energy: -412.367 Base-Backbone interact. energy: -1.516 local terms energy: -506.559939 where: bonds (distance) C4'-P energy: -116.206 bonds (distance) P-C4' energy: -119.842 flat angles C4'-P-C4' energy: -117.040 flat angles P-C4'-P energy: -60.094 tors. eta vs tors. theta energy: -93.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1036.617288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.617288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.617288 (E_RNA) where: Base-Base interactions energy: -631.273 where: short stacking energy: -315.708 Base-Backbone interact. energy: -2.885 local terms energy: -402.459436 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -104.415 flat angles C4'-P-C4' energy: -98.789 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -50.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -672.183994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.183994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.183994 (E_RNA) where: Base-Base interactions energy: -304.189 where: short stacking energy: -208.942 Base-Backbone interact. energy: -1.881 local terms energy: -366.113860 where: bonds (distance) C4'-P energy: -100.139 bonds (distance) P-C4' energy: -103.362 flat angles C4'-P-C4' energy: -99.200 flat angles P-C4'-P energy: -42.486 tors. eta vs tors. theta energy: -20.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -577.773065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.773065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.773065 (E_RNA) where: Base-Base interactions energy: -223.089 where: short stacking energy: -165.899 Base-Backbone interact. energy: 2.522 local terms energy: -357.205973 where: bonds (distance) C4'-P energy: -93.728 bonds (distance) P-C4' energy: -124.722 flat angles C4'-P-C4' energy: -89.183 flat angles P-C4'-P energy: -69.926 tors. eta vs tors. theta energy: 20.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2119.125170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.125170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.125170 (E_RNA) where: Base-Base interactions energy: -1498.456 where: short stacking energy: -608.914 Base-Backbone interact. energy: -3.951 local terms energy: -616.718065 where: bonds (distance) C4'-P energy: -113.783 bonds (distance) P-C4' energy: -123.725 flat angles C4'-P-C4' energy: -128.968 flat angles P-C4'-P energy: -83.953 tors. eta vs tors. theta energy: -166.290 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: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2005.239825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.239825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.239825 (E_RNA) where: Base-Base interactions energy: -1354.724 where: short stacking energy: -590.208 Base-Backbone interact. energy: -3.619 local terms energy: -646.897192 where: bonds (distance) C4'-P energy: -106.644 bonds (distance) P-C4' energy: -130.721 flat angles C4'-P-C4' energy: -142.907 flat angles P-C4'-P energy: -91.973 tors. eta vs tors. theta energy: -174.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1957.403725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.403725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.403725 (E_RNA) where: Base-Base interactions energy: -1314.908 where: short stacking energy: -577.743 Base-Backbone interact. energy: -2.974 local terms energy: -639.522291 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -132.034 flat angles C4'-P-C4' energy: -144.527 flat angles P-C4'-P energy: -66.328 tors. eta vs tors. theta energy: -172.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1890.087748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.087748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.087748 (E_RNA) where: Base-Base interactions energy: -1279.037 where: short stacking energy: -556.642 Base-Backbone interact. energy: -2.038 local terms energy: -609.013375 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -115.902 flat angles C4'-P-C4' energy: -133.074 flat angles P-C4'-P energy: -85.302 tors. eta vs tors. theta energy: -169.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1624.664653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.664653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.664653 (E_RNA) where: Base-Base interactions energy: -1043.041 where: short stacking energy: -500.690 Base-Backbone interact. energy: -2.218 local terms energy: -579.405461 where: bonds (distance) C4'-P energy: -114.472 bonds (distance) P-C4' energy: -121.590 flat angles C4'-P-C4' energy: -136.257 flat angles P-C4'-P energy: -70.328 tors. eta vs tors. theta energy: -136.757 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: 6, replica: 10 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1520.963342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.963342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.963342 (E_RNA) where: Base-Base interactions energy: -1019.137 where: short stacking energy: -438.011 Base-Backbone interact. energy: -2.878 local terms energy: -498.948150 where: bonds (distance) C4'-P energy: -108.429 bonds (distance) P-C4' energy: -107.536 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -76.275 tors. eta vs tors. theta energy: -102.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1278.277326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.277326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.277326 (E_RNA) where: Base-Base interactions energy: -789.498 where: short stacking energy: -361.869 Base-Backbone interact. energy: -1.311 local terms energy: -487.467778 where: bonds (distance) C4'-P energy: -121.513 bonds (distance) P-C4' energy: -102.703 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -77.302 tors. eta vs tors. theta energy: -64.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1020.913107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.913107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.913107 (E_RNA) where: Base-Base interactions energy: -619.151 where: short stacking energy: -293.067 Base-Backbone interact. energy: -3.718 local terms energy: -398.043944 where: bonds (distance) C4'-P energy: -90.888 bonds (distance) P-C4' energy: -113.812 flat angles C4'-P-C4' energy: -94.357 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -40.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -631.232069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.232069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.232069 (E_RNA) where: Base-Base interactions energy: -252.905 where: short stacking energy: -163.015 Base-Backbone interact. energy: -0.029 local terms energy: -378.297595 where: bonds (distance) C4'-P energy: -102.291 bonds (distance) P-C4' energy: -117.191 flat angles C4'-P-C4' energy: -118.610 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: 9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -578.396356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.396356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.396356 (E_RNA) where: Base-Base interactions energy: -253.669 where: short stacking energy: -149.771 Base-Backbone interact. energy: 6.454 local terms energy: -331.181512 where: bonds (distance) C4'-P energy: -97.770 bonds (distance) P-C4' energy: -122.090 flat angles C4'-P-C4' energy: -73.907 flat angles P-C4'-P energy: -53.459 tors. eta vs tors. theta energy: 16.044 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: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2120.558768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.558768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.558768 (E_RNA) where: Base-Base interactions energy: -1452.909 where: short stacking energy: -592.373 Base-Backbone interact. energy: -5.732 local terms energy: -661.918358 where: bonds (distance) C4'-P energy: -133.274 bonds (distance) P-C4' energy: -122.287 flat angles C4'-P-C4' energy: -142.221 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -170.505 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: 145 Temperature: 0.950000 Total energy: -2024.098766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.098766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.098766 (E_RNA) where: Base-Base interactions energy: -1380.877 where: short stacking energy: -605.933 Base-Backbone interact. energy: -3.915 local terms energy: -639.307061 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -112.690 flat angles C4'-P-C4' energy: -139.932 flat angles P-C4'-P energy: -82.950 tors. eta vs tors. theta energy: -180.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1954.434433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.434433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.434433 (E_RNA) where: Base-Base interactions energy: -1322.493 where: short stacking energy: -552.290 Base-Backbone interact. energy: -1.504 local terms energy: -630.437620 where: bonds (distance) C4'-P energy: -109.671 bonds (distance) P-C4' energy: -125.073 flat angles C4'-P-C4' energy: -139.215 flat angles P-C4'-P energy: -96.190 tors. eta vs tors. theta energy: -160.289 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: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1838.043832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.043832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.043832 (E_RNA) where: Base-Base interactions energy: -1221.593 where: short stacking energy: -543.852 Base-Backbone interact. energy: -0.938 local terms energy: -615.512598 where: bonds (distance) C4'-P energy: -119.212 bonds (distance) P-C4' energy: -115.851 flat angles C4'-P-C4' energy: -131.961 flat angles P-C4'-P energy: -86.172 tors. eta vs tors. theta energy: -162.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1643.589514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.589514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.589514 (E_RNA) where: Base-Base interactions energy: -1099.692 where: short stacking energy: -522.636 Base-Backbone interact. energy: -2.123 local terms energy: -541.774506 where: bonds (distance) C4'-P energy: -108.824 bonds (distance) P-C4' energy: -110.501 flat angles C4'-P-C4' energy: -124.347 flat angles P-C4'-P energy: -60.858 tors. eta vs tors. theta energy: -137.244 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: 10 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1526.002302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.002302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.002302 (E_RNA) where: Base-Base interactions energy: -1005.095 where: short stacking energy: -445.795 Base-Backbone interact. energy: -0.486 local terms energy: -520.420589 where: bonds (distance) C4'-P energy: -113.303 bonds (distance) P-C4' energy: -102.632 flat angles C4'-P-C4' energy: -126.331 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -100.472 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: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1282.999364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.999364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.999364 (E_RNA) where: Base-Base interactions energy: -789.172 where: short stacking energy: -382.724 Base-Backbone interact. energy: -2.092 local terms energy: -491.735232 where: bonds (distance) C4'-P energy: -103.658 bonds (distance) P-C4' energy: -118.672 flat angles C4'-P-C4' energy: -103.831 flat angles P-C4'-P energy: -82.187 tors. eta vs tors. theta energy: -83.387 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: 145 Temperature: 1.250000 Total energy: -1075.935299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.935299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.935299 (E_RNA) where: Base-Base interactions energy: -659.237 where: short stacking energy: -313.205 Base-Backbone interact. energy: 1.101 local terms energy: -417.799490 where: bonds (distance) C4'-P energy: -84.409 bonds (distance) P-C4' energy: -113.395 flat angles C4'-P-C4' energy: -111.159 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -48.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -608.520176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.520176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.520176 (E_RNA) where: Base-Base interactions energy: -275.077 where: short stacking energy: -200.462 Base-Backbone interact. energy: 3.224 local terms energy: -336.667161 where: bonds (distance) C4'-P energy: -97.576 bonds (distance) P-C4' energy: -113.406 flat angles C4'-P-C4' energy: -85.339 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -0.259 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: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -566.049181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.049181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.049181 (E_RNA) where: Base-Base interactions energy: -224.664 where: short stacking energy: -154.555 Base-Backbone interact. energy: -0.267 local terms energy: -341.118113 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -113.320 flat angles C4'-P-C4' energy: -94.846 flat angles P-C4'-P energy: -34.389 tors. eta vs tors. theta energy: 12.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2139.386514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.386514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.386514 (E_RNA) where: Base-Base interactions energy: -1464.857 where: short stacking energy: -618.382 Base-Backbone interact. energy: -0.771 local terms energy: -673.757866 where: bonds (distance) C4'-P energy: -130.703 bonds (distance) P-C4' energy: -128.873 flat angles C4'-P-C4' energy: -153.549 flat angles P-C4'-P energy: -85.981 tors. eta vs tors. theta energy: -174.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2047.268808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.268808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.268808 (E_RNA) where: Base-Base interactions energy: -1402.153 where: short stacking energy: -592.750 Base-Backbone interact. energy: -8.932 local terms energy: -636.184404 where: bonds (distance) C4'-P energy: -115.859 bonds (distance) P-C4' energy: -110.091 flat angles C4'-P-C4' energy: -138.516 flat angles P-C4'-P energy: -94.533 tors. eta vs tors. theta energy: -177.185 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: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1916.836605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.836605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.836605 (E_RNA) where: Base-Base interactions energy: -1297.002 where: short stacking energy: -579.235 Base-Backbone interact. energy: 2.311 local terms energy: -622.144929 where: bonds (distance) C4'-P energy: -110.750 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -143.168 flat angles P-C4'-P energy: -87.224 tors. eta vs tors. theta energy: -171.176 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: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1921.635201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.635201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.635201 (E_RNA) where: Base-Base interactions energy: -1320.996 where: short stacking energy: -591.208 Base-Backbone interact. energy: -0.002 local terms energy: -600.637003 where: bonds (distance) C4'-P energy: -107.868 bonds (distance) P-C4' energy: -112.492 flat angles C4'-P-C4' energy: -133.552 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -175.881 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: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1636.501909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.501909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.501909 (E_RNA) where: Base-Base interactions energy: -1062.271 where: short stacking energy: -501.835 Base-Backbone interact. energy: -0.411 local terms energy: -573.819390 where: bonds (distance) C4'-P energy: -111.514 bonds (distance) P-C4' energy: -123.655 flat angles C4'-P-C4' energy: -125.743 flat angles P-C4'-P energy: -74.943 tors. eta vs tors. theta energy: -137.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1523.323922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.323922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.323922 (E_RNA) where: Base-Base interactions energy: -978.616 where: short stacking energy: -451.730 Base-Backbone interact. energy: -0.307 local terms energy: -544.400503 where: bonds (distance) C4'-P energy: -112.535 bonds (distance) P-C4' energy: -128.217 flat angles C4'-P-C4' energy: -113.303 flat angles P-C4'-P energy: -75.822 tors. eta vs tors. theta energy: -114.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1261.547354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.547354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.547354 (E_RNA) where: Base-Base interactions energy: -777.901 where: short stacking energy: -339.591 Base-Backbone interact. energy: -2.014 local terms energy: -481.631890 where: bonds (distance) C4'-P energy: -113.203 bonds (distance) P-C4' energy: -115.376 flat angles C4'-P-C4' energy: -114.481 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -66.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1118.947681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.947681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.947681 (E_RNA) where: Base-Base interactions energy: -702.253 where: short stacking energy: -325.720 Base-Backbone interact. energy: 3.614 local terms energy: -420.308273 where: bonds (distance) C4'-P energy: -102.614 bonds (distance) P-C4' energy: -112.944 flat angles C4'-P-C4' energy: -101.626 flat angles P-C4'-P energy: -51.843 tors. eta vs tors. theta energy: -51.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -595.500994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.500994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.500994 (E_RNA) where: Base-Base interactions energy: -219.214 where: short stacking energy: -146.635 Base-Backbone interact. energy: -0.541 local terms energy: -375.746387 where: bonds (distance) C4'-P energy: -104.120 bonds (distance) P-C4' energy: -118.809 flat angles C4'-P-C4' energy: -108.582 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: 24.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -582.433697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.433697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.433697 (E_RNA) where: Base-Base interactions energy: -277.411 where: short stacking energy: -175.871 Base-Backbone interact. energy: 7.839 local terms energy: -312.862381 where: bonds (distance) C4'-P energy: -91.313 bonds (distance) P-C4' energy: -82.130 flat angles C4'-P-C4' energy: -98.048 flat angles P-C4'-P energy: -57.777 tors. eta vs tors. theta energy: 16.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2156.426532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.426532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.426532 (E_RNA) where: Base-Base interactions energy: -1479.463 where: short stacking energy: -625.585 Base-Backbone interact. energy: -8.299 local terms energy: -668.663925 where: bonds (distance) C4'-P energy: -126.463 bonds (distance) P-C4' energy: -128.591 flat angles C4'-P-C4' energy: -147.152 flat angles P-C4'-P energy: -97.583 tors. eta vs tors. theta energy: -168.875 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: 147 Temperature: 0.950000 Total energy: -1994.138382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.138382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.138382 (E_RNA) where: Base-Base interactions energy: -1341.310 where: short stacking energy: -550.073 Base-Backbone interact. energy: -5.481 local terms energy: -647.347364 where: bonds (distance) C4'-P energy: -114.484 bonds (distance) P-C4' energy: -125.386 flat angles C4'-P-C4' energy: -146.555 flat angles P-C4'-P energy: -98.065 tors. eta vs tors. theta energy: -162.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1930.334420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.334420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.334420 (E_RNA) where: Base-Base interactions energy: -1336.757 where: short stacking energy: -607.066 Base-Backbone interact. energy: -4.549 local terms energy: -589.027985 where: bonds (distance) C4'-P energy: -96.928 bonds (distance) P-C4' energy: -120.364 flat angles C4'-P-C4' energy: -113.627 flat angles P-C4'-P energy: -86.168 tors. eta vs tors. theta energy: -171.941 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: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1883.409715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.409715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.409715 (E_RNA) where: Base-Base interactions energy: -1270.247 where: short stacking energy: -556.162 Base-Backbone interact. energy: -1.811 local terms energy: -611.352135 where: bonds (distance) C4'-P energy: -123.763 bonds (distance) P-C4' energy: -118.212 flat angles C4'-P-C4' energy: -129.564 flat angles P-C4'-P energy: -72.990 tors. eta vs tors. theta energy: -166.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1669.915211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.915211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.915211 (E_RNA) where: Base-Base interactions energy: -1093.636 where: short stacking energy: -469.648 Base-Backbone interact. energy: -3.233 local terms energy: -573.046466 where: bonds (distance) C4'-P energy: -104.099 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -144.435 flat angles P-C4'-P energy: -62.059 tors. eta vs tors. theta energy: -125.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1496.880222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.880222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.880222 (E_RNA) where: Base-Base interactions energy: -965.777 where: short stacking energy: -445.785 Base-Backbone interact. energy: -3.581 local terms energy: -527.522827 where: bonds (distance) C4'-P energy: -116.278 bonds (distance) P-C4' energy: -120.422 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -69.408 tors. eta vs tors. theta energy: -118.527 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: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1252.495399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.495399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.495399 (E_RNA) where: Base-Base interactions energy: -769.051 where: short stacking energy: -374.426 Base-Backbone interact. energy: -2.173 local terms energy: -481.271455 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -107.258 flat angles C4'-P-C4' energy: -114.457 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -81.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1023.556672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.556672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.556672 (E_RNA) where: Base-Base interactions energy: -603.731 where: short stacking energy: -309.688 Base-Backbone interact. energy: 2.288 local terms energy: -422.113584 where: bonds (distance) C4'-P energy: -94.291 bonds (distance) P-C4' energy: -106.184 flat angles C4'-P-C4' energy: -108.319 flat angles P-C4'-P energy: -68.099 tors. eta vs tors. theta energy: -45.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -619.715262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.715262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.715262 (E_RNA) where: Base-Base interactions energy: -268.061 where: short stacking energy: -179.104 Base-Backbone interact. energy: 2.600 local terms energy: -354.254572 where: bonds (distance) C4'-P energy: -108.725 bonds (distance) P-C4' energy: -106.028 flat angles C4'-P-C4' energy: -96.178 flat angles P-C4'-P energy: -56.357 tors. eta vs tors. theta energy: 13.033 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: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -665.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.895893 (E_RNA) where: Base-Base interactions energy: -316.592 where: short stacking energy: -217.548 Base-Backbone interact. energy: 1.914 local terms energy: -351.218016 where: bonds (distance) C4'-P energy: -93.730 bonds (distance) P-C4' energy: -104.808 flat angles C4'-P-C4' energy: -102.027 flat angles P-C4'-P energy: -45.686 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: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2130.824862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.824862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.824862 (E_RNA) where: Base-Base interactions energy: -1474.528 where: short stacking energy: -614.696 Base-Backbone interact. energy: -2.650 local terms energy: -653.646881 where: bonds (distance) C4'-P energy: -113.583 bonds (distance) P-C4' energy: -122.255 flat angles C4'-P-C4' energy: -144.417 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -174.020 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: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2026.661886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.661886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.661886 (E_RNA) where: Base-Base interactions energy: -1367.628 where: short stacking energy: -595.140 Base-Backbone interact. energy: -3.700 local terms energy: -655.334122 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -119.392 flat angles C4'-P-C4' energy: -136.456 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -179.086 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: 148 Temperature: 1.000000 Total energy: -1955.398418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.398418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.398418 (E_RNA) where: Base-Base interactions energy: -1320.595 where: short stacking energy: -562.766 Base-Backbone interact. energy: 0.335 local terms energy: -635.138290 where: bonds (distance) C4'-P energy: -130.205 bonds (distance) P-C4' energy: -106.510 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -89.073 tors. eta vs tors. theta energy: -163.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1938.941916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.941916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.941916 (E_RNA) where: Base-Base interactions energy: -1306.916 where: short stacking energy: -575.254 Base-Backbone interact. energy: -3.179 local terms energy: -628.847049 where: bonds (distance) C4'-P energy: -111.929 bonds (distance) P-C4' energy: -128.006 flat angles C4'-P-C4' energy: -141.151 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: -172.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1623.676778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.676778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.676778 (E_RNA) where: Base-Base interactions energy: -1068.094 where: short stacking energy: -495.322 Base-Backbone interact. energy: -0.329 local terms energy: -555.254281 where: bonds (distance) C4'-P energy: -122.601 bonds (distance) P-C4' energy: -109.336 flat angles C4'-P-C4' energy: -121.154 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -126.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1519.122186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.122186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.122186 (E_RNA) where: Base-Base interactions energy: -967.065 where: short stacking energy: -427.734 Base-Backbone interact. energy: -3.871 local terms energy: -548.186252 where: bonds (distance) C4'-P energy: -124.967 bonds (distance) P-C4' energy: -121.026 flat angles C4'-P-C4' energy: -120.877 flat angles P-C4'-P energy: -74.508 tors. eta vs tors. theta energy: -106.808 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: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1213.651458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.651458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.651458 (E_RNA) where: Base-Base interactions energy: -732.959 where: short stacking energy: -352.602 Base-Backbone interact. energy: -2.322 local terms energy: -478.371006 where: bonds (distance) C4'-P energy: -126.639 bonds (distance) P-C4' energy: -111.570 flat angles C4'-P-C4' energy: -100.742 flat angles P-C4'-P energy: -65.331 tors. eta vs tors. theta energy: -74.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1072.054138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.054138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.054138 (E_RNA) where: Base-Base interactions energy: -655.157 where: short stacking energy: -300.978 Base-Backbone interact. energy: -1.189 local terms energy: -415.708135 where: bonds (distance) C4'-P energy: -94.279 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -118.446 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -31.927 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: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -669.359533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.359533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.359533 (E_RNA) where: Base-Base interactions energy: -304.935 where: short stacking energy: -206.850 Base-Backbone interact. energy: -2.048 local terms energy: -362.376998 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -97.364 flat angles C4'-P-C4' energy: -103.037 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -10.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -610.900746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.900746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.900746 (E_RNA) where: Base-Base interactions energy: -290.452 where: short stacking energy: -180.975 Base-Backbone interact. energy: 4.303 local terms energy: -324.751811 where: bonds (distance) C4'-P energy: -86.787 bonds (distance) P-C4' energy: -106.433 flat angles C4'-P-C4' energy: -83.152 flat angles P-C4'-P energy: -61.897 tors. eta vs tors. theta energy: 13.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2131.082479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.082479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.082479 (E_RNA) where: Base-Base interactions energy: -1484.496 where: short stacking energy: -631.912 Base-Backbone interact. energy: -4.236 local terms energy: -642.350678 where: bonds (distance) C4'-P energy: -117.995 bonds (distance) P-C4' energy: -135.999 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -84.760 tors. eta vs tors. theta energy: -170.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2046.147109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.147109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.147109 (E_RNA) where: Base-Base interactions energy: -1399.033 where: short stacking energy: -576.486 Base-Backbone interact. energy: -5.699 local terms energy: -641.414638 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -131.858 flat angles C4'-P-C4' energy: -145.276 flat angles P-C4'-P energy: -95.274 tors. eta vs tors. theta energy: -163.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1927.647547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.647547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.647547 (E_RNA) where: Base-Base interactions energy: -1318.105 where: short stacking energy: -555.427 Base-Backbone interact. energy: -0.458 local terms energy: -609.084946 where: bonds (distance) C4'-P energy: -101.215 bonds (distance) P-C4' energy: -126.973 flat angles C4'-P-C4' energy: -135.226 flat angles P-C4'-P energy: -80.437 tors. eta vs tors. theta energy: -165.234 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: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1826.955648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.955648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.955648 (E_RNA) where: Base-Base interactions energy: -1217.967 where: short stacking energy: -548.446 Base-Backbone interact. energy: -3.662 local terms energy: -605.326638 where: bonds (distance) C4'-P energy: -114.014 bonds (distance) P-C4' energy: -107.758 flat angles C4'-P-C4' energy: -130.238 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -163.849 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: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1646.659654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.659654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.659654 (E_RNA) where: Base-Base interactions energy: -1093.397 where: short stacking energy: -483.310 Base-Backbone interact. energy: -1.091 local terms energy: -552.171893 where: bonds (distance) C4'-P energy: -114.698 bonds (distance) P-C4' energy: -107.302 flat angles C4'-P-C4' energy: -122.942 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -128.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1550.848889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.848889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.848889 (E_RNA) where: Base-Base interactions energy: -1037.950 where: short stacking energy: -461.824 Base-Backbone interact. energy: -2.005 local terms energy: -510.894018 where: bonds (distance) C4'-P energy: -94.319 bonds (distance) P-C4' energy: -113.478 flat angles C4'-P-C4' energy: -114.562 flat angles P-C4'-P energy: -79.894 tors. eta vs tors. theta energy: -108.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1257.423603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.423603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.423603 (E_RNA) where: Base-Base interactions energy: -780.420 where: short stacking energy: -374.438 Base-Backbone interact. energy: 0.251 local terms energy: -477.254168 where: bonds (distance) C4'-P energy: -107.249 bonds (distance) P-C4' energy: -102.146 flat angles C4'-P-C4' energy: -114.368 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -77.801 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: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1033.479878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.479878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.479878 (E_RNA) where: Base-Base interactions energy: -629.526 where: short stacking energy: -327.702 Base-Backbone interact. energy: 2.755 local terms energy: -406.709322 where: bonds (distance) C4'-P energy: -103.817 bonds (distance) P-C4' energy: -106.226 flat angles C4'-P-C4' energy: -104.445 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -49.220 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: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -680.749639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.749639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.749639 (E_RNA) where: Base-Base interactions energy: -337.641 where: short stacking energy: -218.762 Base-Backbone interact. energy: -1.589 local terms energy: -341.519933 where: bonds (distance) C4'-P energy: -100.786 bonds (distance) P-C4' energy: -98.024 flat angles C4'-P-C4' energy: -86.700 flat angles P-C4'-P energy: -66.366 tors. eta vs tors. theta energy: 10.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -610.270139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.270139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.270139 (E_RNA) where: Base-Base interactions energy: -303.885 where: short stacking energy: -191.128 Base-Backbone interact. energy: -0.421 local terms energy: -305.964254 where: bonds (distance) C4'-P energy: -89.117 bonds (distance) P-C4' energy: -98.901 flat angles C4'-P-C4' energy: -85.692 flat angles P-C4'-P energy: -39.768 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: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2099.002653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.002653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.002653 (E_RNA) where: Base-Base interactions energy: -1444.792 where: short stacking energy: -619.170 Base-Backbone interact. energy: 0.814 local terms energy: -655.025504 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -130.643 flat angles C4'-P-C4' energy: -144.407 flat angles P-C4'-P energy: -79.238 tors. eta vs tors. theta energy: -174.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2021.713364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.713364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.713364 (E_RNA) where: Base-Base interactions energy: -1396.363 where: short stacking energy: -571.651 Base-Backbone interact. energy: -8.157 local terms energy: -617.192471 where: bonds (distance) C4'-P energy: -115.648 bonds (distance) P-C4' energy: -114.195 flat angles C4'-P-C4' energy: -136.836 flat angles P-C4'-P energy: -91.164 tors. eta vs tors. theta energy: -159.350 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: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1922.075206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.075206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.075206 (E_RNA) where: Base-Base interactions energy: -1302.668 where: short stacking energy: -556.971 Base-Backbone interact. energy: 0.355 local terms energy: -619.762230 where: bonds (distance) C4'-P energy: -124.006 bonds (distance) P-C4' energy: -138.416 flat angles C4'-P-C4' energy: -124.379 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -160.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1857.087816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.087816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.087816 (E_RNA) where: Base-Base interactions energy: -1268.751 where: short stacking energy: -548.580 Base-Backbone interact. energy: -1.778 local terms energy: -586.559095 where: bonds (distance) C4'-P energy: -115.942 bonds (distance) P-C4' energy: -108.598 flat angles C4'-P-C4' energy: -132.419 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: -162.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1689.996779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.996779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.996779 (E_RNA) where: Base-Base interactions energy: -1139.130 where: short stacking energy: -518.214 Base-Backbone interact. energy: -5.128 local terms energy: -545.738977 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -119.381 flat angles C4'-P-C4' energy: -131.714 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -143.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1525.793191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.793191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.793191 (E_RNA) where: Base-Base interactions energy: -1006.253 where: short stacking energy: -456.844 Base-Backbone interact. energy: -2.193 local terms energy: -517.347263 where: bonds (distance) C4'-P energy: -106.013 bonds (distance) P-C4' energy: -106.126 flat angles C4'-P-C4' energy: -123.984 flat angles P-C4'-P energy: -62.681 tors. eta vs tors. theta energy: -118.544 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: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1224.652902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.652902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.652902 (E_RNA) where: Base-Base interactions energy: -775.533 where: short stacking energy: -375.645 Base-Backbone interact. energy: -3.071 local terms energy: -446.048817 where: bonds (distance) C4'-P energy: -96.418 bonds (distance) P-C4' energy: -100.919 flat angles C4'-P-C4' energy: -122.795 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -77.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1046.274052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.274052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.274052 (E_RNA) where: Base-Base interactions energy: -625.604 where: short stacking energy: -304.180 Base-Backbone interact. energy: 2.107 local terms energy: -422.776523 where: bonds (distance) C4'-P energy: -111.350 bonds (distance) P-C4' energy: -115.017 flat angles C4'-P-C4' energy: -88.065 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -62.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -652.665250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.665250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.665250 (E_RNA) where: Base-Base interactions energy: -295.021 where: short stacking energy: -211.866 Base-Backbone interact. energy: 4.133 local terms energy: -361.777715 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -102.450 flat angles C4'-P-C4' energy: -85.908 flat angles P-C4'-P energy: -49.927 tors. eta vs tors. theta energy: -20.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -681.713892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.713892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.713892 (E_RNA) where: Base-Base interactions energy: -367.738 where: short stacking energy: -173.857 Base-Backbone interact. energy: 2.350 local terms energy: -316.325825 where: bonds (distance) C4'-P energy: -91.353 bonds (distance) P-C4' energy: -107.689 flat angles C4'-P-C4' energy: -96.464 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: 21.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2117.164061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.164061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.164061 (E_RNA) where: Base-Base interactions energy: -1485.180 where: short stacking energy: -595.075 Base-Backbone interact. energy: -5.055 local terms energy: -626.928774 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -116.386 flat angles C4'-P-C4' energy: -132.880 flat angles P-C4'-P energy: -94.998 tors. eta vs tors. theta energy: -165.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1995.610954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.610954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.610954 (E_RNA) where: Base-Base interactions energy: -1370.504 where: short stacking energy: -584.348 Base-Backbone interact. energy: -4.414 local terms energy: -620.693345 where: bonds (distance) C4'-P energy: -115.731 bonds (distance) P-C4' energy: -103.395 flat angles C4'-P-C4' energy: -136.209 flat angles P-C4'-P energy: -99.023 tors. eta vs tors. theta energy: -166.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1944.729003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.729003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.729003 (E_RNA) where: Base-Base interactions energy: -1342.525 where: short stacking energy: -575.300 Base-Backbone interact. energy: -3.543 local terms energy: -598.661484 where: bonds (distance) C4'-P energy: -104.155 bonds (distance) P-C4' energy: -112.830 flat angles C4'-P-C4' energy: -137.362 flat angles P-C4'-P energy: -85.679 tors. eta vs tors. theta energy: -158.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1861.729485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.729485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.729485 (E_RNA) where: Base-Base interactions energy: -1255.672 where: short stacking energy: -561.520 Base-Backbone interact. energy: -1.456 local terms energy: -604.601246 where: bonds (distance) C4'-P energy: -114.520 bonds (distance) P-C4' energy: -127.180 flat angles C4'-P-C4' energy: -133.191 flat angles P-C4'-P energy: -67.542 tors. eta vs tors. theta energy: -162.169 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: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1603.098293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.098293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.098293 (E_RNA) where: Base-Base interactions energy: -1047.888 where: short stacking energy: -491.375 Base-Backbone interact. energy: -2.228 local terms energy: -552.982231 where: bonds (distance) C4'-P energy: -116.322 bonds (distance) P-C4' energy: -119.052 flat angles C4'-P-C4' energy: -113.163 flat angles P-C4'-P energy: -73.078 tors. eta vs tors. theta energy: -131.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1548.260273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.260273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.260273 (E_RNA) where: Base-Base interactions energy: -1037.476 where: short stacking energy: -449.339 Base-Backbone interact. energy: -3.219 local terms energy: -507.565350 where: bonds (distance) C4'-P energy: -108.479 bonds (distance) P-C4' energy: -110.783 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -79.214 tors. eta vs tors. theta energy: -104.833 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: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1239.389400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.389400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.389400 (E_RNA) where: Base-Base interactions energy: -772.258 where: short stacking energy: -372.674 Base-Backbone interact. energy: -4.667 local terms energy: -462.464590 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -98.989 flat angles C4'-P-C4' energy: -106.176 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -79.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1085.363746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.363746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.363746 (E_RNA) where: Base-Base interactions energy: -643.819 where: short stacking energy: -297.552 Base-Backbone interact. energy: -2.740 local terms energy: -438.804947 where: bonds (distance) C4'-P energy: -108.739 bonds (distance) P-C4' energy: -122.266 flat angles C4'-P-C4' energy: -111.584 flat angles P-C4'-P energy: -49.301 tors. eta vs tors. theta energy: -46.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -666.465034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.465034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.465034 (E_RNA) where: Base-Base interactions energy: -277.585 where: short stacking energy: -152.840 Base-Backbone interact. energy: -3.382 local terms energy: -385.497331 where: bonds (distance) C4'-P energy: -91.455 bonds (distance) P-C4' energy: -105.955 flat angles C4'-P-C4' energy: -96.526 flat angles P-C4'-P energy: -80.170 tors. eta vs tors. theta energy: -11.390 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: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -662.847742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.847742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.847742 (E_RNA) where: Base-Base interactions energy: -316.092 where: short stacking energy: -172.392 Base-Backbone interact. energy: 0.178 local terms energy: -346.933761 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -101.074 flat angles C4'-P-C4' energy: -102.466 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: 18.679 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: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2105.809685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.809685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.809685 (E_RNA) where: Base-Base interactions energy: -1477.636 where: short stacking energy: -605.174 Base-Backbone interact. energy: -5.057 local terms energy: -623.117316 where: bonds (distance) C4'-P energy: -103.546 bonds (distance) P-C4' energy: -126.781 flat angles C4'-P-C4' energy: -135.027 flat angles P-C4'-P energy: -101.052 tors. eta vs tors. theta energy: -156.711 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: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2070.620393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.620393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.620393 (E_RNA) where: Base-Base interactions energy: -1404.052 where: short stacking energy: -611.275 Base-Backbone interact. energy: -5.072 local terms energy: -661.496246 where: bonds (distance) C4'-P energy: -120.112 bonds (distance) P-C4' energy: -120.054 flat angles C4'-P-C4' energy: -141.534 flat angles P-C4'-P energy: -95.745 tors. eta vs tors. theta energy: -184.053 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: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1932.409618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.409618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.409618 (E_RNA) where: Base-Base interactions energy: -1320.385 where: short stacking energy: -571.873 Base-Backbone interact. energy: -2.445 local terms energy: -609.579571 where: bonds (distance) C4'-P energy: -119.651 bonds (distance) P-C4' energy: -110.476 flat angles C4'-P-C4' energy: -124.801 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -166.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1851.934608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.934608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.934608 (E_RNA) where: Base-Base interactions energy: -1255.053 where: short stacking energy: -585.579 Base-Backbone interact. energy: -0.803 local terms energy: -596.077941 where: bonds (distance) C4'-P energy: -112.413 bonds (distance) P-C4' energy: -114.650 flat angles C4'-P-C4' energy: -127.981 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -155.942 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1627.027748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.027748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.027748 (E_RNA) where: Base-Base interactions energy: -1057.849 where: short stacking energy: -487.939 Base-Backbone interact. energy: -1.237 local terms energy: -567.942073 where: bonds (distance) C4'-P energy: -111.212 bonds (distance) P-C4' energy: -122.621 flat angles C4'-P-C4' energy: -120.886 flat angles P-C4'-P energy: -86.171 tors. eta vs tors. theta energy: -127.051 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: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1543.030154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.030154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.030154 (E_RNA) where: Base-Base interactions energy: -1028.822 where: short stacking energy: -448.947 Base-Backbone interact. energy: -2.022 local terms energy: -512.186406 where: bonds (distance) C4'-P energy: -118.740 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -107.459 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -110.531 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: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1282.366700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.366700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.366700 (E_RNA) where: Base-Base interactions energy: -799.068 where: short stacking energy: -376.770 Base-Backbone interact. energy: -1.842 local terms energy: -481.456286 where: bonds (distance) C4'-P energy: -101.651 bonds (distance) P-C4' energy: -114.207 flat angles C4'-P-C4' energy: -112.331 flat angles P-C4'-P energy: -65.029 tors. eta vs tors. theta energy: -88.239 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: 152 Temperature: 1.250000 Total energy: -1007.681003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.681003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.681003 (E_RNA) where: Base-Base interactions energy: -599.806 where: short stacking energy: -274.367 Base-Backbone interact. energy: -2.960 local terms energy: -404.915100 where: bonds (distance) C4'-P energy: -98.468 bonds (distance) P-C4' energy: -92.423 flat angles C4'-P-C4' energy: -100.324 flat angles P-C4'-P energy: -76.898 tors. eta vs tors. theta energy: -36.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -720.261634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.261634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.261634 (E_RNA) where: Base-Base interactions energy: -353.590 where: short stacking energy: -229.087 Base-Backbone interact. energy: 0.316 local terms energy: -366.987681 where: bonds (distance) C4'-P energy: -107.047 bonds (distance) P-C4' energy: -100.791 flat angles C4'-P-C4' energy: -87.633 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -15.465 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: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -589.296883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.296883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.296883 (E_RNA) where: Base-Base interactions energy: -290.391 where: short stacking energy: -157.172 Base-Backbone interact. energy: -0.745 local terms energy: -298.161069 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -103.979 flat angles C4'-P-C4' energy: -88.622 flat angles P-C4'-P energy: -23.105 tors. eta vs tors. theta energy: 18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2147.194847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.194847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.194847 (E_RNA) where: Base-Base interactions energy: -1478.321 where: short stacking energy: -614.049 Base-Backbone interact. energy: -0.864 local terms energy: -668.009555 where: bonds (distance) C4'-P energy: -128.514 bonds (distance) P-C4' energy: -129.739 flat angles C4'-P-C4' energy: -141.431 flat angles P-C4'-P energy: -101.539 tors. eta vs tors. theta energy: -166.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2062.899301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.899301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.899301 (E_RNA) where: Base-Base interactions energy: -1409.984 where: short stacking energy: -605.333 Base-Backbone interact. energy: -4.753 local terms energy: -648.162354 where: bonds (distance) C4'-P energy: -117.720 bonds (distance) P-C4' energy: -119.497 flat angles C4'-P-C4' energy: -133.143 flat angles P-C4'-P energy: -93.242 tors. eta vs tors. theta energy: -184.561 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: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1926.582309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.582309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.582309 (E_RNA) where: Base-Base interactions energy: -1328.763 where: short stacking energy: -558.613 Base-Backbone interact. energy: -1.329 local terms energy: -596.490107 where: bonds (distance) C4'-P energy: -104.664 bonds (distance) P-C4' energy: -116.953 flat angles C4'-P-C4' energy: -140.260 flat angles P-C4'-P energy: -80.442 tors. eta vs tors. theta energy: -154.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1840.401674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.401674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.401674 (E_RNA) where: Base-Base interactions energy: -1238.788 where: short stacking energy: -571.056 Base-Backbone interact. energy: -0.222 local terms energy: -601.392265 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -114.125 flat angles C4'-P-C4' energy: -127.639 flat angles P-C4'-P energy: -76.072 tors. eta vs tors. theta energy: -171.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1653.019850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.019850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.019850 (E_RNA) where: Base-Base interactions energy: -1100.972 where: short stacking energy: -511.813 Base-Backbone interact. energy: -1.904 local terms energy: -550.143714 where: bonds (distance) C4'-P energy: -100.747 bonds (distance) P-C4' energy: -104.654 flat angles C4'-P-C4' energy: -117.756 flat angles P-C4'-P energy: -78.651 tors. eta vs tors. theta energy: -148.336 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: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1527.852687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.852687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.852687 (E_RNA) where: Base-Base interactions energy: -1022.729 where: short stacking energy: -437.773 Base-Backbone interact. energy: -1.730 local terms energy: -503.393590 where: bonds (distance) C4'-P energy: -93.152 bonds (distance) P-C4' energy: -111.645 flat angles C4'-P-C4' energy: -113.122 flat angles P-C4'-P energy: -71.358 tors. eta vs tors. theta energy: -114.116 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: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1276.805401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.805401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.805401 (E_RNA) where: Base-Base interactions energy: -776.309 where: short stacking energy: -348.842 Base-Backbone interact. energy: -2.253 local terms energy: -498.243358 where: bonds (distance) C4'-P energy: -115.978 bonds (distance) P-C4' energy: -117.218 flat angles C4'-P-C4' energy: -102.915 flat angles P-C4'-P energy: -86.113 tors. eta vs tors. theta energy: -76.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1042.593985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.593985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.593985 (E_RNA) where: Base-Base interactions energy: -629.653 where: short stacking energy: -327.139 Base-Backbone interact. energy: -2.144 local terms energy: -410.796704 where: bonds (distance) C4'-P energy: -98.286 bonds (distance) P-C4' energy: -110.585 flat angles C4'-P-C4' energy: -88.570 flat angles P-C4'-P energy: -62.400 tors. eta vs tors. theta energy: -50.955 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: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -711.595450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.595450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.595450 (E_RNA) where: Base-Base interactions energy: -378.840 where: short stacking energy: -228.052 Base-Backbone interact. energy: 2.715 local terms energy: -335.469933 where: bonds (distance) C4'-P energy: -88.389 bonds (distance) P-C4' energy: -94.857 flat angles C4'-P-C4' energy: -90.706 flat angles P-C4'-P energy: -59.039 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -606.860663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.860663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.860663 (E_RNA) where: Base-Base interactions energy: -273.342 where: short stacking energy: -172.390 Base-Backbone interact. energy: 0.455 local terms energy: -333.972873 where: bonds (distance) C4'-P energy: -90.449 bonds (distance) P-C4' energy: -102.172 flat angles C4'-P-C4' energy: -107.480 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: 11.620 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: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2117.364298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.364298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.364298 (E_RNA) where: Base-Base interactions energy: -1471.193 where: short stacking energy: -623.444 Base-Backbone interact. energy: -2.095 local terms energy: -644.076212 where: bonds (distance) C4'-P energy: -119.726 bonds (distance) P-C4' energy: -129.149 flat angles C4'-P-C4' energy: -138.564 flat angles P-C4'-P energy: -91.665 tors. eta vs tors. theta energy: -164.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2089.527209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.527209 (E_RNA) where: Base-Base interactions energy: -1425.379 where: short stacking energy: -594.797 Base-Backbone interact. energy: -6.137 local terms energy: -658.011157 where: bonds (distance) C4'-P energy: -117.633 bonds (distance) P-C4' energy: -136.239 flat angles C4'-P-C4' energy: -143.943 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: -166.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1923.843643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.843643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.843643 (E_RNA) where: Base-Base interactions energy: -1312.628 where: short stacking energy: -575.788 Base-Backbone interact. energy: 3.260 local terms energy: -614.476098 where: bonds (distance) C4'-P energy: -116.474 bonds (distance) P-C4' energy: -114.794 flat angles C4'-P-C4' energy: -137.188 flat angles P-C4'-P energy: -84.055 tors. eta vs tors. theta energy: -161.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1854.189118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.189118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.189118 (E_RNA) where: Base-Base interactions energy: -1248.215 where: short stacking energy: -541.074 Base-Backbone interact. energy: -1.096 local terms energy: -604.877579 where: bonds (distance) C4'-P energy: -115.195 bonds (distance) P-C4' energy: -125.370 flat angles C4'-P-C4' energy: -120.705 flat angles P-C4'-P energy: -82.584 tors. eta vs tors. theta energy: -161.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1665.079644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.079644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.079644 (E_RNA) where: Base-Base interactions energy: -1140.955 where: short stacking energy: -522.897 Base-Backbone interact. energy: 0.373 local terms energy: -524.498063 where: bonds (distance) C4'-P energy: -99.321 bonds (distance) P-C4' energy: -111.106 flat angles C4'-P-C4' energy: -119.950 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -131.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1556.002057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.002057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.002057 (E_RNA) where: Base-Base interactions energy: -1017.784 where: short stacking energy: -450.918 Base-Backbone interact. energy: 1.049 local terms energy: -539.266537 where: bonds (distance) C4'-P energy: -117.526 bonds (distance) P-C4' energy: -123.420 flat angles C4'-P-C4' energy: -122.583 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -99.629 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: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1307.961527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.961527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.961527 (E_RNA) where: Base-Base interactions energy: -848.480 where: short stacking energy: -384.979 Base-Backbone interact. energy: -0.355 local terms energy: -459.126637 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -99.353 flat angles C4'-P-C4' energy: -112.220 flat angles P-C4'-P energy: -63.075 tors. eta vs tors. theta energy: -91.587 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: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1031.283965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.283965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.283965 (E_RNA) where: Base-Base interactions energy: -612.454 where: short stacking energy: -302.122 Base-Backbone interact. energy: 0.170 local terms energy: -419.000008 where: bonds (distance) C4'-P energy: -96.549 bonds (distance) P-C4' energy: -121.510 flat angles C4'-P-C4' energy: -112.262 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -42.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -715.248721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.248721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.248721 (E_RNA) where: Base-Base interactions energy: -359.448 where: short stacking energy: -205.076 Base-Backbone interact. energy: -1.563 local terms energy: -354.238149 where: bonds (distance) C4'-P energy: -95.430 bonds (distance) P-C4' energy: -106.598 flat angles C4'-P-C4' energy: -94.626 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -578.762845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.762845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.762845 (E_RNA) where: Base-Base interactions energy: -263.848 where: short stacking energy: -154.343 Base-Backbone interact. energy: 2.044 local terms energy: -316.959503 where: bonds (distance) C4'-P energy: -100.861 bonds (distance) P-C4' energy: -110.547 flat angles C4'-P-C4' energy: -99.443 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: 39.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2107.351405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.351405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.351405 (E_RNA) where: Base-Base interactions energy: -1441.606 where: short stacking energy: -613.865 Base-Backbone interact. energy: -2.558 local terms energy: -663.187359 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -135.303 flat angles C4'-P-C4' energy: -146.968 flat angles P-C4'-P energy: -87.165 tors. eta vs tors. theta energy: -163.316 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: 155 Temperature: 0.950000 Total energy: -2057.825957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.825957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.825957 (E_RNA) where: Base-Base interactions energy: -1408.861 where: short stacking energy: -581.303 Base-Backbone interact. energy: -2.637 local terms energy: -646.328077 where: bonds (distance) C4'-P energy: -119.802 bonds (distance) P-C4' energy: -133.704 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -95.294 tors. eta vs tors. theta energy: -160.157 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: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1965.661376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.661376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.661376 (E_RNA) where: Base-Base interactions energy: -1349.000 where: short stacking energy: -600.528 Base-Backbone interact. energy: -0.178 local terms energy: -616.483892 where: bonds (distance) C4'-P energy: -111.683 bonds (distance) P-C4' energy: -109.092 flat angles C4'-P-C4' energy: -132.820 flat angles P-C4'-P energy: -79.742 tors. eta vs tors. theta energy: -183.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1872.712934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.712934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.712934 (E_RNA) where: Base-Base interactions energy: -1267.620 where: short stacking energy: -566.948 Base-Backbone interact. energy: -0.108 local terms energy: -604.984142 where: bonds (distance) C4'-P energy: -116.395 bonds (distance) P-C4' energy: -115.485 flat angles C4'-P-C4' energy: -120.180 flat angles P-C4'-P energy: -83.629 tors. eta vs tors. theta energy: -169.295 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: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1658.554559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.554559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.554559 (E_RNA) where: Base-Base interactions energy: -1089.851 where: short stacking energy: -493.701 Base-Backbone interact. energy: -1.545 local terms energy: -567.157871 where: bonds (distance) C4'-P energy: -110.291 bonds (distance) P-C4' energy: -111.375 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -92.841 tors. eta vs tors. theta energy: -139.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1602.789521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.789521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.789521 (E_RNA) where: Base-Base interactions energy: -1068.035 where: short stacking energy: -458.394 Base-Backbone interact. energy: -1.525 local terms energy: -533.229271 where: bonds (distance) C4'-P energy: -108.996 bonds (distance) P-C4' energy: -115.264 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -73.519 tors. eta vs tors. theta energy: -106.703 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: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1283.824930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.824930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.824930 (E_RNA) where: Base-Base interactions energy: -833.895 where: short stacking energy: -374.448 Base-Backbone interact. energy: 2.640 local terms energy: -452.570343 where: bonds (distance) C4'-P energy: -94.961 bonds (distance) P-C4' energy: -114.203 flat angles C4'-P-C4' energy: -113.952 flat angles P-C4'-P energy: -55.549 tors. eta vs tors. theta energy: -73.906 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: 155 Temperature: 1.250000 Total energy: -1029.561215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.561215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.561215 (E_RNA) where: Base-Base interactions energy: -592.490 where: short stacking energy: -320.019 Base-Backbone interact. energy: 0.885 local terms energy: -437.956374 where: bonds (distance) C4'-P energy: -112.055 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -98.438 flat angles P-C4'-P energy: -53.576 tors. eta vs tors. theta energy: -72.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -670.382297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.382297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.382297 (E_RNA) where: Base-Base interactions energy: -309.551 where: short stacking energy: -187.861 Base-Backbone interact. energy: 0.488 local terms energy: -361.318411 where: bonds (distance) C4'-P energy: -93.610 bonds (distance) P-C4' energy: -91.245 flat angles C4'-P-C4' energy: -99.506 flat angles P-C4'-P energy: -65.947 tors. eta vs tors. theta energy: -11.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -608.857683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.857683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.857683 (E_RNA) where: Base-Base interactions energy: -280.426 where: short stacking energy: -167.737 Base-Backbone interact. energy: -1.788 local terms energy: -326.643558 where: bonds (distance) C4'-P energy: -83.501 bonds (distance) P-C4' energy: -114.264 flat angles C4'-P-C4' energy: -82.752 flat angles P-C4'-P energy: -52.459 tors. eta vs tors. theta energy: 6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2114.108772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.108772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.108772 (E_RNA) where: Base-Base interactions energy: -1477.186 where: short stacking energy: -595.827 Base-Backbone interact. energy: -3.891 local terms energy: -633.031485 where: bonds (distance) C4'-P energy: -122.105 bonds (distance) P-C4' energy: -112.380 flat angles C4'-P-C4' energy: -132.615 flat angles P-C4'-P energy: -110.813 tors. eta vs tors. theta energy: -155.119 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: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2074.962900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.962900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.962900 (E_RNA) where: Base-Base interactions energy: -1450.753 where: short stacking energy: -618.153 Base-Backbone interact. energy: -0.729 local terms energy: -623.480734 where: bonds (distance) C4'-P energy: -112.664 bonds (distance) P-C4' energy: -105.896 flat angles C4'-P-C4' energy: -142.013 flat angles P-C4'-P energy: -98.431 tors. eta vs tors. theta energy: -164.477 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: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1967.472421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.472421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.472421 (E_RNA) where: Base-Base interactions energy: -1319.183 where: short stacking energy: -564.352 Base-Backbone interact. energy: -2.742 local terms energy: -645.547658 where: bonds (distance) C4'-P energy: -135.455 bonds (distance) P-C4' energy: -116.536 flat angles C4'-P-C4' energy: -134.644 flat angles P-C4'-P energy: -85.002 tors. eta vs tors. theta energy: -173.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1858.156247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.156247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.156247 (E_RNA) where: Base-Base interactions energy: -1253.464 where: short stacking energy: -549.652 Base-Backbone interact. energy: -1.230 local terms energy: -603.462056 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -116.381 flat angles C4'-P-C4' energy: -143.457 flat angles P-C4'-P energy: -66.974 tors. eta vs tors. theta energy: -165.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1683.178694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.178694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.178694 (E_RNA) where: Base-Base interactions energy: -1113.344 where: short stacking energy: -503.390 Base-Backbone interact. energy: -1.778 local terms energy: -568.056460 where: bonds (distance) C4'-P energy: -103.125 bonds (distance) P-C4' energy: -117.026 flat angles C4'-P-C4' energy: -120.508 flat angles P-C4'-P energy: -81.065 tors. eta vs tors. theta energy: -146.333 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: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1579.147447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.147447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.147447 (E_RNA) where: Base-Base interactions energy: -1058.463 where: short stacking energy: -444.696 Base-Backbone interact. energy: 1.073 local terms energy: -521.757575 where: bonds (distance) C4'-P energy: -115.894 bonds (distance) P-C4' energy: -111.768 flat angles C4'-P-C4' energy: -121.403 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -97.144 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: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1326.680379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.680379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.680379 (E_RNA) where: Base-Base interactions energy: -828.781 where: short stacking energy: -370.833 Base-Backbone interact. energy: -0.730 local terms energy: -497.170230 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -104.619 flat angles C4'-P-C4' energy: -109.396 flat angles P-C4'-P energy: -78.562 tors. eta vs tors. theta energy: -93.465 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: 156 Temperature: 1.250000 Total energy: -1030.843203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.843203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.843203 (E_RNA) where: Base-Base interactions energy: -615.991 where: short stacking energy: -275.349 Base-Backbone interact. energy: 0.734 local terms energy: -415.586232 where: bonds (distance) C4'-P energy: -101.923 bonds (distance) P-C4' energy: -121.692 flat angles C4'-P-C4' energy: -87.990 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -33.918 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: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -728.309252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.309252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.309252 (E_RNA) where: Base-Base interactions energy: -365.326 where: short stacking energy: -212.595 Base-Backbone interact. energy: -0.743 local terms energy: -362.240113 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -116.924 flat angles C4'-P-C4' energy: -92.746 flat angles P-C4'-P energy: -52.116 tors. eta vs tors. theta energy: -8.962 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: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -644.086835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.086835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.086835 (E_RNA) where: Base-Base interactions energy: -334.596 where: short stacking energy: -196.971 Base-Backbone interact. energy: 2.148 local terms energy: -311.639347 where: bonds (distance) C4'-P energy: -94.448 bonds (distance) P-C4' energy: -95.755 flat angles C4'-P-C4' energy: -74.424 flat angles P-C4'-P energy: -44.832 tors. eta vs tors. theta energy: -2.181 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: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2116.892526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.892526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.892526 (E_RNA) where: Base-Base interactions energy: -1449.756 where: short stacking energy: -604.165 Base-Backbone interact. energy: -5.018 local terms energy: -662.118206 where: bonds (distance) C4'-P energy: -127.972 bonds (distance) P-C4' energy: -129.478 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -167.766 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: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2069.144140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.144140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.144140 (E_RNA) where: Base-Base interactions energy: -1403.676 where: short stacking energy: -588.432 Base-Backbone interact. energy: -6.869 local terms energy: -658.598941 where: bonds (distance) C4'-P energy: -125.549 bonds (distance) P-C4' energy: -127.194 flat angles C4'-P-C4' energy: -135.835 flat angles P-C4'-P energy: -95.818 tors. eta vs tors. theta energy: -174.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1967.993689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.993689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.993689 (E_RNA) where: Base-Base interactions energy: -1348.830 where: short stacking energy: -580.133 Base-Backbone interact. energy: -2.239 local terms energy: -616.924437 where: bonds (distance) C4'-P energy: -114.682 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -139.800 flat angles P-C4'-P energy: -77.579 tors. eta vs tors. theta energy: -153.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1826.288646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.288646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.288646 (E_RNA) where: Base-Base interactions energy: -1212.678 where: short stacking energy: -544.775 Base-Backbone interact. energy: -0.902 local terms energy: -612.708565 where: bonds (distance) C4'-P energy: -111.264 bonds (distance) P-C4' energy: -123.371 flat angles C4'-P-C4' energy: -131.849 flat angles P-C4'-P energy: -87.037 tors. eta vs tors. theta energy: -159.187 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: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1673.510816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.510816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.510816 (E_RNA) where: Base-Base interactions energy: -1127.289 where: short stacking energy: -540.325 Base-Backbone interact. energy: 2.009 local terms energy: -548.230859 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -105.595 flat angles C4'-P-C4' energy: -129.435 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: -144.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1584.582004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.582004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.582004 (E_RNA) where: Base-Base interactions energy: -1054.882 where: short stacking energy: -486.012 Base-Backbone interact. energy: -0.830 local terms energy: -528.869646 where: bonds (distance) C4'-P energy: -107.675 bonds (distance) P-C4' energy: -114.353 flat angles C4'-P-C4' energy: -126.937 flat angles P-C4'-P energy: -65.307 tors. eta vs tors. theta energy: -114.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1262.170563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.170563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.170563 (E_RNA) where: Base-Base interactions energy: -776.042 where: short stacking energy: -353.581 Base-Backbone interact. energy: 1.381 local terms energy: -487.510011 where: bonds (distance) C4'-P energy: -106.332 bonds (distance) P-C4' energy: -109.364 flat angles C4'-P-C4' energy: -118.769 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -74.271 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: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1041.618937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.618937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.618937 (E_RNA) where: Base-Base interactions energy: -616.671 where: short stacking energy: -276.477 Base-Backbone interact. energy: 2.872 local terms energy: -427.819987 where: bonds (distance) C4'-P energy: -106.478 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -103.344 flat angles P-C4'-P energy: -66.857 tors. eta vs tors. theta energy: -51.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -746.872078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.872078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.872078 (E_RNA) where: Base-Base interactions energy: -362.654 where: short stacking energy: -203.109 Base-Backbone interact. energy: -3.179 local terms energy: -381.039019 where: bonds (distance) C4'-P energy: -102.375 bonds (distance) P-C4' energy: -119.741 flat angles C4'-P-C4' energy: -101.882 flat angles P-C4'-P energy: -61.700 tors. eta vs tors. theta energy: 4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -621.845984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.845984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.845984 (E_RNA) where: Base-Base interactions energy: -289.833 where: short stacking energy: -177.600 Base-Backbone interact. energy: 3.926 local terms energy: -335.939162 where: bonds (distance) C4'-P energy: -115.865 bonds (distance) P-C4' energy: -82.147 flat angles C4'-P-C4' energy: -88.253 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: 4.598 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: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2152.206454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.206454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.206454 (E_RNA) where: Base-Base interactions energy: -1483.829 where: short stacking energy: -609.607 Base-Backbone interact. energy: -5.175 local terms energy: -663.202394 where: bonds (distance) C4'-P energy: -133.778 bonds (distance) P-C4' energy: -121.813 flat angles C4'-P-C4' energy: -152.431 flat angles P-C4'-P energy: -95.122 tors. eta vs tors. theta energy: -160.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2062.600943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.600943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.600943 (E_RNA) where: Base-Base interactions energy: -1389.621 where: short stacking energy: -596.341 Base-Backbone interact. energy: -3.865 local terms energy: -669.115070 where: bonds (distance) C4'-P energy: -132.635 bonds (distance) P-C4' energy: -120.325 flat angles C4'-P-C4' energy: -141.791 flat angles P-C4'-P energy: -94.304 tors. eta vs tors. theta energy: -180.060 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: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1984.519488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.519488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.519488 (E_RNA) where: Base-Base interactions energy: -1339.071 where: short stacking energy: -589.021 Base-Backbone interact. energy: -4.915 local terms energy: -640.533196 where: bonds (distance) C4'-P energy: -121.889 bonds (distance) P-C4' energy: -119.288 flat angles C4'-P-C4' energy: -134.767 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -170.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1792.919906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.919906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.919906 (E_RNA) where: Base-Base interactions energy: -1195.604 where: short stacking energy: -533.744 Base-Backbone interact. energy: -1.139 local terms energy: -596.177358 where: bonds (distance) C4'-P energy: -114.023 bonds (distance) P-C4' energy: -121.940 flat angles C4'-P-C4' energy: -129.345 flat angles P-C4'-P energy: -89.853 tors. eta vs tors. theta energy: -141.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1659.709866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.709866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.709866 (E_RNA) where: Base-Base interactions energy: -1104.157 where: short stacking energy: -504.518 Base-Backbone interact. energy: 0.278 local terms energy: -555.830408 where: bonds (distance) C4'-P energy: -108.546 bonds (distance) P-C4' energy: -113.720 flat angles C4'-P-C4' energy: -126.313 flat angles P-C4'-P energy: -77.058 tors. eta vs tors. theta energy: -130.194 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: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1597.781628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.781628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.781628 (E_RNA) where: Base-Base interactions energy: -1075.419 where: short stacking energy: -466.086 Base-Backbone interact. energy: -0.342 local terms energy: -522.020594 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -105.834 flat angles C4'-P-C4' energy: -111.654 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -119.599 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: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1271.308195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.308195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.308195 (E_RNA) where: Base-Base interactions energy: -786.798 where: short stacking energy: -374.959 Base-Backbone interact. energy: -1.087 local terms energy: -483.422821 where: bonds (distance) C4'-P energy: -87.484 bonds (distance) P-C4' energy: -120.380 flat angles C4'-P-C4' energy: -111.235 flat angles P-C4'-P energy: -83.866 tors. eta vs tors. theta energy: -80.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -929.153553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.153553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.153553 (E_RNA) where: Base-Base interactions energy: -538.560 where: short stacking energy: -274.717 Base-Backbone interact. energy: -0.559 local terms energy: -390.034537 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -97.279 flat angles C4'-P-C4' energy: -104.812 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -26.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -751.182422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.182422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.182422 (E_RNA) where: Base-Base interactions energy: -395.271 where: short stacking energy: -234.582 Base-Backbone interact. energy: -2.630 local terms energy: -353.280807 where: bonds (distance) C4'-P energy: -89.938 bonds (distance) P-C4' energy: -93.343 flat angles C4'-P-C4' energy: -104.645 flat angles P-C4'-P energy: -74.250 tors. eta vs tors. theta energy: 8.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -561.842149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.842149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.842149 (E_RNA) where: Base-Base interactions energy: -251.035 where: short stacking energy: -156.313 Base-Backbone interact. energy: -0.282 local terms energy: -310.525190 where: bonds (distance) C4'-P energy: -94.399 bonds (distance) P-C4' energy: -94.158 flat angles C4'-P-C4' energy: -102.235 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: 12.949 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: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2136.296184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.296184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.296184 (E_RNA) where: Base-Base interactions energy: -1475.316 where: short stacking energy: -595.004 Base-Backbone interact. energy: -1.634 local terms energy: -659.346335 where: bonds (distance) C4'-P energy: -118.154 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -148.723 flat angles P-C4'-P energy: -92.992 tors. eta vs tors. theta energy: -163.222 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: 159 Temperature: 0.950000 Total energy: -2052.533508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.533508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.533508 (E_RNA) where: Base-Base interactions energy: -1397.073 where: short stacking energy: -607.525 Base-Backbone interact. energy: -5.521 local terms energy: -649.939483 where: bonds (distance) C4'-P energy: -118.350 bonds (distance) P-C4' energy: -126.701 flat angles C4'-P-C4' energy: -138.011 flat angles P-C4'-P energy: -99.512 tors. eta vs tors. theta energy: -167.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2005.766524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.766524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.766524 (E_RNA) where: Base-Base interactions energy: -1371.766 where: short stacking energy: -611.971 Base-Backbone interact. energy: -4.210 local terms energy: -629.790664 where: bonds (distance) C4'-P energy: -119.326 bonds (distance) P-C4' energy: -109.935 flat angles C4'-P-C4' energy: -139.067 flat angles P-C4'-P energy: -88.484 tors. eta vs tors. theta energy: -172.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1813.941594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.941594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.941594 (E_RNA) where: Base-Base interactions energy: -1180.813 where: short stacking energy: -527.796 Base-Backbone interact. energy: -0.897 local terms energy: -632.231208 where: bonds (distance) C4'-P energy: -124.893 bonds (distance) P-C4' energy: -123.967 flat angles C4'-P-C4' energy: -130.378 flat angles P-C4'-P energy: -85.969 tors. eta vs tors. theta energy: -167.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1718.677783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.677783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.677783 (E_RNA) where: Base-Base interactions energy: -1126.300 where: short stacking energy: -510.024 Base-Backbone interact. energy: -3.240 local terms energy: -589.137816 where: bonds (distance) C4'-P energy: -123.132 bonds (distance) P-C4' energy: -109.829 flat angles C4'-P-C4' energy: -124.230 flat angles P-C4'-P energy: -85.135 tors. eta vs tors. theta energy: -146.811 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: 10 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1611.888021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.888021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.888021 (E_RNA) where: Base-Base interactions energy: -1098.714 where: short stacking energy: -465.723 Base-Backbone interact. energy: -5.410 local terms energy: -507.764243 where: bonds (distance) C4'-P energy: -86.335 bonds (distance) P-C4' energy: -115.389 flat angles C4'-P-C4' energy: -121.036 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -109.031 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: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1299.774618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.774618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.774618 (E_RNA) where: Base-Base interactions energy: -828.418 where: short stacking energy: -391.119 Base-Backbone interact. energy: -2.442 local terms energy: -468.914868 where: bonds (distance) C4'-P energy: -99.681 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -67.970 tors. eta vs tors. theta energy: -77.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -862.183763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.183763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.183763 (E_RNA) where: Base-Base interactions energy: -462.239 where: short stacking energy: -246.437 Base-Backbone interact. energy: 0.186 local terms energy: -400.130379 where: bonds (distance) C4'-P energy: -103.509 bonds (distance) P-C4' energy: -106.813 flat angles C4'-P-C4' energy: -119.253 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -19.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -698.872320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.872320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.872320 (E_RNA) where: Base-Base interactions energy: -337.377 where: short stacking energy: -203.101 Base-Backbone interact. energy: -4.904 local terms energy: -356.591261 where: bonds (distance) C4'-P energy: -92.809 bonds (distance) P-C4' energy: -111.167 flat angles C4'-P-C4' energy: -96.913 flat angles P-C4'-P energy: -55.775 tors. eta vs tors. theta energy: 0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -631.944239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.944239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.944239 (E_RNA) where: Base-Base interactions energy: -274.287 where: short stacking energy: -182.224 Base-Backbone interact. energy: 5.438 local terms energy: -363.095729 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -107.056 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: 11.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2149.723024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.723024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.723024 (E_RNA) where: Base-Base interactions energy: -1483.680 where: short stacking energy: -598.174 Base-Backbone interact. energy: -2.950 local terms energy: -663.092749 where: bonds (distance) C4'-P energy: -124.847 bonds (distance) P-C4' energy: -119.306 flat angles C4'-P-C4' energy: -142.775 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -173.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2040.106438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.106438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.106438 (E_RNA) where: Base-Base interactions energy: -1402.173 where: short stacking energy: -575.868 Base-Backbone interact. energy: -2.418 local terms energy: -635.515034 where: bonds (distance) C4'-P energy: -121.394 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -123.394 flat angles P-C4'-P energy: -87.797 tors. eta vs tors. theta energy: -165.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1990.058701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.058701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.058701 (E_RNA) where: Base-Base interactions energy: -1366.489 where: short stacking energy: -610.451 Base-Backbone interact. energy: -1.316 local terms energy: -622.253154 where: bonds (distance) C4'-P energy: -113.727 bonds (distance) P-C4' energy: -105.140 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -95.637 tors. eta vs tors. theta energy: -170.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1795.257010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.257010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.257010 (E_RNA) where: Base-Base interactions energy: -1186.361 where: short stacking energy: -509.691 Base-Backbone interact. energy: -1.265 local terms energy: -607.631033 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -129.499 flat angles C4'-P-C4' energy: -131.520 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -158.652 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1722.058225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.058225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.058225 (E_RNA) where: Base-Base interactions energy: -1161.526 where: short stacking energy: -539.063 Base-Backbone interact. energy: -0.252 local terms energy: -560.280725 where: bonds (distance) C4'-P energy: -110.883 bonds (distance) P-C4' energy: -93.195 flat angles C4'-P-C4' energy: -135.613 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -141.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1582.472449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.472449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.472449 (E_RNA) where: Base-Base interactions energy: -1024.638 where: short stacking energy: -461.901 Base-Backbone interact. energy: -1.341 local terms energy: -556.493462 where: bonds (distance) C4'-P energy: -104.474 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -129.665 flat angles P-C4'-P energy: -82.154 tors. eta vs tors. theta energy: -126.968 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: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1276.510917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.510917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.510917 (E_RNA) where: Base-Base interactions energy: -786.180 where: short stacking energy: -373.679 Base-Backbone interact. energy: -2.090 local terms energy: -488.240289 where: bonds (distance) C4'-P energy: -102.468 bonds (distance) P-C4' energy: -111.144 flat angles C4'-P-C4' energy: -109.292 flat angles P-C4'-P energy: -76.605 tors. eta vs tors. theta energy: -88.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -860.817059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.817059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.817059 (E_RNA) where: Base-Base interactions energy: -482.113 where: short stacking energy: -261.556 Base-Backbone interact. energy: 0.981 local terms energy: -379.685867 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -95.754 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -22.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -719.544916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.544916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.544916 (E_RNA) where: Base-Base interactions energy: -346.884 where: short stacking energy: -239.375 Base-Backbone interact. energy: -1.223 local terms energy: -371.438386 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -118.663 flat angles C4'-P-C4' energy: -86.342 flat angles P-C4'-P energy: -34.383 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -657.764140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.764140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.764140 (E_RNA) where: Base-Base interactions energy: -325.081 where: short stacking energy: -182.194 Base-Backbone interact. energy: -0.635 local terms energy: -332.048168 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -104.384 flat angles C4'-P-C4' energy: -92.135 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: 10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2113.863395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.863395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.863395 (E_RNA) where: Base-Base interactions energy: -1485.303 where: short stacking energy: -586.580 Base-Backbone interact. energy: -5.414 local terms energy: -623.146111 where: bonds (distance) C4'-P energy: -131.443 bonds (distance) P-C4' energy: -108.255 flat angles C4'-P-C4' energy: -134.319 flat angles P-C4'-P energy: -88.117 tors. eta vs tors. theta energy: -161.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2026.807330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.807330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.807330 (E_RNA) where: Base-Base interactions energy: -1362.182 where: short stacking energy: -578.222 Base-Backbone interact. energy: -3.496 local terms energy: -661.129397 where: bonds (distance) C4'-P energy: -131.637 bonds (distance) P-C4' energy: -125.587 flat angles C4'-P-C4' energy: -137.896 flat angles P-C4'-P energy: -98.749 tors. eta vs tors. theta energy: -167.261 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: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1966.336858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.336858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.336858 (E_RNA) where: Base-Base interactions energy: -1348.160 where: short stacking energy: -556.212 Base-Backbone interact. energy: -9.165 local terms energy: -609.011800 where: bonds (distance) C4'-P energy: -115.308 bonds (distance) P-C4' energy: -126.618 flat angles C4'-P-C4' energy: -122.899 flat angles P-C4'-P energy: -82.557 tors. eta vs tors. theta energy: -161.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1824.177729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.177729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.177729 (E_RNA) where: Base-Base interactions energy: -1241.812 where: short stacking energy: -576.775 Base-Backbone interact. energy: 2.971 local terms energy: -585.336356 where: bonds (distance) C4'-P energy: -102.995 bonds (distance) P-C4' energy: -110.190 flat angles C4'-P-C4' energy: -131.674 flat angles P-C4'-P energy: -78.183 tors. eta vs tors. theta energy: -162.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1737.465106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.465106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.465106 (E_RNA) where: Base-Base interactions energy: -1175.301 where: short stacking energy: -548.465 Base-Backbone interact. energy: -1.540 local terms energy: -560.624471 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -109.146 flat angles C4'-P-C4' energy: -115.201 flat angles P-C4'-P energy: -88.186 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: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1518.668472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.668472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.668472 (E_RNA) where: Base-Base interactions energy: -976.455 where: short stacking energy: -434.490 Base-Backbone interact. energy: -1.755 local terms energy: -540.458386 where: bonds (distance) C4'-P energy: -102.947 bonds (distance) P-C4' energy: -113.733 flat angles C4'-P-C4' energy: -122.870 flat angles P-C4'-P energy: -84.536 tors. eta vs tors. theta energy: -116.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1253.586836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.586836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.586836 (E_RNA) where: Base-Base interactions energy: -791.192 where: short stacking energy: -388.917 Base-Backbone interact. energy: -1.164 local terms energy: -461.231706 where: bonds (distance) C4'-P energy: -103.583 bonds (distance) P-C4' energy: -118.413 flat angles C4'-P-C4' energy: -85.939 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -78.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -873.418006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.418006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.418006 (E_RNA) where: Base-Base interactions energy: -463.275 where: short stacking energy: -269.144 Base-Backbone interact. energy: -1.205 local terms energy: -408.937932 where: bonds (distance) C4'-P energy: -96.376 bonds (distance) P-C4' energy: -107.988 flat angles C4'-P-C4' energy: -109.384 flat angles P-C4'-P energy: -59.988 tors. eta vs tors. theta energy: -35.202 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: 6 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -720.357953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.357953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.357953 (E_RNA) where: Base-Base interactions energy: -333.982 where: short stacking energy: -197.520 Base-Backbone interact. energy: 0.929 local terms energy: -387.304765 where: bonds (distance) C4'-P energy: -111.327 bonds (distance) P-C4' energy: -116.012 flat angles C4'-P-C4' energy: -96.664 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: -14.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -677.520853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.520853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.520853 (E_RNA) where: Base-Base interactions energy: -348.909 where: short stacking energy: -210.332 Base-Backbone interact. energy: 2.980 local terms energy: -331.591528 where: bonds (distance) C4'-P energy: -94.133 bonds (distance) P-C4' energy: -94.525 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -45.339 tors. eta vs tors. theta energy: -0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2126.603806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.603806 (E_RNA) where: Base-Base interactions energy: -1464.183 where: short stacking energy: -596.788 Base-Backbone interact. energy: -6.242 local terms energy: -656.179659 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -141.432 flat angles C4'-P-C4' energy: -149.620 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -162.157 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: 162 Temperature: 0.950000 Total energy: -2034.922727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.922727 (E_RNA) where: Base-Base interactions energy: -1382.924 where: short stacking energy: -593.892 Base-Backbone interact. energy: -1.904 local terms energy: -650.095202 where: bonds (distance) C4'-P energy: -119.872 bonds (distance) P-C4' energy: -130.832 flat angles C4'-P-C4' energy: -138.400 flat angles P-C4'-P energy: -90.913 tors. eta vs tors. theta energy: -170.078 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: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1981.728035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.728035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.728035 (E_RNA) where: Base-Base interactions energy: -1336.565 where: short stacking energy: -538.016 Base-Backbone interact. energy: -5.167 local terms energy: -639.996060 where: bonds (distance) C4'-P energy: -129.190 bonds (distance) P-C4' energy: -127.105 flat angles C4'-P-C4' energy: -137.457 flat angles P-C4'-P energy: -78.585 tors. eta vs tors. theta energy: -167.660 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: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1850.178494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.178494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.178494 (E_RNA) where: Base-Base interactions energy: -1231.337 where: short stacking energy: -540.998 Base-Backbone interact. energy: -0.073 local terms energy: -618.768422 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -124.356 flat angles C4'-P-C4' energy: -133.283 flat angles P-C4'-P energy: -73.186 tors. eta vs tors. theta energy: -164.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1671.356475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.356475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.356475 (E_RNA) where: Base-Base interactions energy: -1078.744 where: short stacking energy: -494.380 Base-Backbone interact. energy: -2.996 local terms energy: -589.615766 where: bonds (distance) C4'-P energy: -119.942 bonds (distance) P-C4' energy: -117.593 flat angles C4'-P-C4' energy: -129.285 flat angles P-C4'-P energy: -78.798 tors. eta vs tors. theta energy: -143.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1531.277900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.277900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.277900 (E_RNA) where: Base-Base interactions energy: -1002.307 where: short stacking energy: -442.169 Base-Backbone interact. energy: 0.678 local terms energy: -529.648892 where: bonds (distance) C4'-P energy: -104.227 bonds (distance) P-C4' energy: -112.035 flat angles C4'-P-C4' energy: -118.545 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: -112.556 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1282.777847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.777847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.777847 (E_RNA) where: Base-Base interactions energy: -804.037 where: short stacking energy: -367.992 Base-Backbone interact. energy: -0.640 local terms energy: -478.100783 where: bonds (distance) C4'-P energy: -97.706 bonds (distance) P-C4' energy: -114.282 flat angles C4'-P-C4' energy: -114.518 flat angles P-C4'-P energy: -74.531 tors. eta vs tors. theta energy: -77.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -831.092151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.092151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.092151 (E_RNA) where: Base-Base interactions energy: -470.107 where: short stacking energy: -239.376 Base-Backbone interact. energy: -2.732 local terms energy: -358.253899 where: bonds (distance) C4'-P energy: -89.384 bonds (distance) P-C4' energy: -96.759 flat angles C4'-P-C4' energy: -93.222 flat angles P-C4'-P energy: -58.011 tors. eta vs tors. theta energy: -20.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -750.806307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.806307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.806307 (E_RNA) where: Base-Base interactions energy: -370.603 where: short stacking energy: -205.376 Base-Backbone interact. energy: -2.131 local terms energy: -378.072828 where: bonds (distance) C4'-P energy: -114.679 bonds (distance) P-C4' energy: -118.543 flat angles C4'-P-C4' energy: -99.649 flat angles P-C4'-P energy: -46.378 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -662.211286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.211286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.211286 (E_RNA) where: Base-Base interactions energy: -300.324 where: short stacking energy: -176.717 Base-Backbone interact. energy: 1.228 local terms energy: -363.115297 where: bonds (distance) C4'-P energy: -89.176 bonds (distance) P-C4' energy: -119.805 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: -4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2129.869723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.869723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.869723 (E_RNA) where: Base-Base interactions energy: -1497.652 where: short stacking energy: -600.248 Base-Backbone interact. energy: -4.815 local terms energy: -627.402880 where: bonds (distance) C4'-P energy: -116.437 bonds (distance) P-C4' energy: -121.404 flat angles C4'-P-C4' energy: -141.361 flat angles P-C4'-P energy: -88.883 tors. eta vs tors. theta energy: -159.318 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: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2050.298962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.298962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.298962 (E_RNA) where: Base-Base interactions energy: -1374.683 where: short stacking energy: -592.703 Base-Backbone interact. energy: -3.511 local terms energy: -672.105543 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -126.207 flat angles C4'-P-C4' energy: -152.416 flat angles P-C4'-P energy: -87.868 tors. eta vs tors. theta energy: -182.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1960.387994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.387994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.387994 (E_RNA) where: Base-Base interactions energy: -1355.258 where: short stacking energy: -529.625 Base-Backbone interact. energy: -3.165 local terms energy: -601.964817 where: bonds (distance) C4'-P energy: -130.417 bonds (distance) P-C4' energy: -104.964 flat angles C4'-P-C4' energy: -130.778 flat angles P-C4'-P energy: -88.897 tors. eta vs tors. theta energy: -146.909 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: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1835.693912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.693912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.693912 (E_RNA) where: Base-Base interactions energy: -1215.932 where: short stacking energy: -558.940 Base-Backbone interact. energy: -0.503 local terms energy: -619.259687 where: bonds (distance) C4'-P energy: -114.785 bonds (distance) P-C4' energy: -105.974 flat angles C4'-P-C4' energy: -133.145 flat angles P-C4'-P energy: -103.137 tors. eta vs tors. theta energy: -162.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1625.522092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.522092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.522092 (E_RNA) where: Base-Base interactions energy: -1071.737 where: short stacking energy: -492.925 Base-Backbone interact. energy: -2.786 local terms energy: -550.998853 where: bonds (distance) C4'-P energy: -106.128 bonds (distance) P-C4' energy: -116.369 flat angles C4'-P-C4' energy: -113.983 flat angles P-C4'-P energy: -83.942 tors. eta vs tors. theta energy: -130.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1592.154401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.154401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.154401 (E_RNA) where: Base-Base interactions energy: -1082.461 where: short stacking energy: -475.972 Base-Backbone interact. energy: -1.029 local terms energy: -508.665007 where: bonds (distance) C4'-P energy: -92.053 bonds (distance) P-C4' energy: -104.124 flat angles C4'-P-C4' energy: -106.413 flat angles P-C4'-P energy: -71.951 tors. eta vs tors. theta energy: -134.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1238.810738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.810738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.810738 (E_RNA) where: Base-Base interactions energy: -801.518 where: short stacking energy: -361.673 Base-Backbone interact. energy: -0.218 local terms energy: -437.074792 where: bonds (distance) C4'-P energy: -90.793 bonds (distance) P-C4' energy: -98.121 flat angles C4'-P-C4' energy: -105.966 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: -75.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -772.000598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.000598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.000598 (E_RNA) where: Base-Base interactions energy: -369.769 where: short stacking energy: -231.715 Base-Backbone interact. energy: -2.059 local terms energy: -400.172670 where: bonds (distance) C4'-P energy: -103.696 bonds (distance) P-C4' energy: -111.801 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -72.603 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -733.307014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.307014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.307014 (E_RNA) where: Base-Base interactions energy: -389.143 where: short stacking energy: -232.629 Base-Backbone interact. energy: -1.135 local terms energy: -343.028956 where: bonds (distance) C4'-P energy: -100.196 bonds (distance) P-C4' energy: -100.003 flat angles C4'-P-C4' energy: -99.249 flat angles P-C4'-P energy: -29.746 tors. eta vs tors. theta energy: -13.834 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: 6 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -662.172143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.172143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.172143 (E_RNA) where: Base-Base interactions energy: -309.274 where: short stacking energy: -176.955 Base-Backbone interact. energy: -0.058 local terms energy: -352.840189 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -117.282 flat angles C4'-P-C4' energy: -75.266 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: 4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2100.574120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.574120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.574120 (E_RNA) where: Base-Base interactions energy: -1456.711 where: short stacking energy: -598.284 Base-Backbone interact. energy: -4.840 local terms energy: -639.023109 where: bonds (distance) C4'-P energy: -123.472 bonds (distance) P-C4' energy: -126.531 flat angles C4'-P-C4' energy: -148.270 flat angles P-C4'-P energy: -80.782 tors. eta vs tors. theta energy: -159.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2084.021919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.021919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.021919 (E_RNA) where: Base-Base interactions energy: -1429.532 where: short stacking energy: -594.655 Base-Backbone interact. energy: -2.056 local terms energy: -652.433828 where: bonds (distance) C4'-P energy: -126.283 bonds (distance) P-C4' energy: -120.187 flat angles C4'-P-C4' energy: -146.581 flat angles P-C4'-P energy: -94.600 tors. eta vs tors. theta energy: -164.783 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: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1977.208938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.208938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.208938 (E_RNA) where: Base-Base interactions energy: -1369.593 where: short stacking energy: -570.838 Base-Backbone interact. energy: -4.512 local terms energy: -603.103881 where: bonds (distance) C4'-P energy: -116.313 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -139.089 flat angles P-C4'-P energy: -94.152 tors. eta vs tors. theta energy: -148.678 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: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1837.431550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.431550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.431550 (E_RNA) where: Base-Base interactions energy: -1232.072 where: short stacking energy: -574.683 Base-Backbone interact. energy: -0.186 local terms energy: -605.173496 where: bonds (distance) C4'-P energy: -119.140 bonds (distance) P-C4' energy: -124.040 flat angles C4'-P-C4' energy: -121.015 flat angles P-C4'-P energy: -76.652 tors. eta vs tors. theta energy: -164.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1619.861728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.861728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.861728 (E_RNA) where: Base-Base interactions energy: -1078.918 where: short stacking energy: -493.131 Base-Backbone interact. energy: -3.530 local terms energy: -537.414166 where: bonds (distance) C4'-P energy: -96.044 bonds (distance) P-C4' energy: -115.594 flat angles C4'-P-C4' energy: -126.446 flat angles P-C4'-P energy: -76.586 tors. eta vs tors. theta energy: -122.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1485.230451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.230451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.230451 (E_RNA) where: Base-Base interactions energy: -954.974 where: short stacking energy: -459.696 Base-Backbone interact. energy: 1.549 local terms energy: -531.806040 where: bonds (distance) C4'-P energy: -114.913 bonds (distance) P-C4' energy: -86.011 flat angles C4'-P-C4' energy: -139.224 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -115.582 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: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1256.601133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.601133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.601133 (E_RNA) where: Base-Base interactions energy: -803.487 where: short stacking energy: -387.769 Base-Backbone interact. energy: -1.786 local terms energy: -451.327941 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -96.595 flat angles C4'-P-C4' energy: -101.683 flat angles P-C4'-P energy: -67.651 tors. eta vs tors. theta energy: -85.099 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -759.449662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.449662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.449662 (E_RNA) where: Base-Base interactions energy: -380.450 where: short stacking energy: -192.923 Base-Backbone interact. energy: 1.758 local terms energy: -380.757488 where: bonds (distance) C4'-P energy: -89.549 bonds (distance) P-C4' energy: -130.136 flat angles C4'-P-C4' energy: -104.945 flat angles P-C4'-P energy: -62.305 tors. eta vs tors. theta energy: 6.176 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: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -774.637768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.637768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.637768 (E_RNA) where: Base-Base interactions energy: -392.495 where: short stacking energy: -228.625 Base-Backbone interact. energy: 0.538 local terms energy: -382.680842 where: bonds (distance) C4'-P energy: -101.383 bonds (distance) P-C4' energy: -108.296 flat angles C4'-P-C4' energy: -101.569 flat angles P-C4'-P energy: -62.938 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -666.204835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.204835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.204835 (E_RNA) where: Base-Base interactions energy: -332.936 where: short stacking energy: -226.558 Base-Backbone interact. energy: 2.169 local terms energy: -335.438056 where: bonds (distance) C4'-P energy: -94.763 bonds (distance) P-C4' energy: -104.267 flat angles C4'-P-C4' energy: -81.968 flat angles P-C4'-P energy: -50.034 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2126.500632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.500632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.500632 (E_RNA) where: Base-Base interactions energy: -1495.952 where: short stacking energy: -626.571 Base-Backbone interact. energy: 1.156 local terms energy: -631.704627 where: bonds (distance) C4'-P energy: -119.447 bonds (distance) P-C4' energy: -114.572 flat angles C4'-P-C4' energy: -138.237 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -164.608 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: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2111.594702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.594702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.594702 (E_RNA) where: Base-Base interactions energy: -1457.414 where: short stacking energy: -614.940 Base-Backbone interact. energy: -1.610 local terms energy: -652.570415 where: bonds (distance) C4'-P energy: -125.547 bonds (distance) P-C4' energy: -128.951 flat angles C4'-P-C4' energy: -130.049 flat angles P-C4'-P energy: -76.007 tors. eta vs tors. theta energy: -192.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1966.177164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.177164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.177164 (E_RNA) where: Base-Base interactions energy: -1343.575 where: short stacking energy: -568.258 Base-Backbone interact. energy: -2.067 local terms energy: -620.535009 where: bonds (distance) C4'-P energy: -120.301 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -132.501 flat angles P-C4'-P energy: -77.371 tors. eta vs tors. theta energy: -160.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1827.676615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.676615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.676615 (E_RNA) where: Base-Base interactions energy: -1221.117 where: short stacking energy: -539.333 Base-Backbone interact. energy: -3.029 local terms energy: -603.530177 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -126.896 flat angles C4'-P-C4' energy: -134.595 flat angles P-C4'-P energy: -81.778 tors. eta vs tors. theta energy: -156.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1674.691404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.691404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.691404 (E_RNA) where: Base-Base interactions energy: -1093.195 where: short stacking energy: -499.686 Base-Backbone interact. energy: -0.321 local terms energy: -581.175305 where: bonds (distance) C4'-P energy: -118.977 bonds (distance) P-C4' energy: -125.177 flat angles C4'-P-C4' energy: -126.959 flat angles P-C4'-P energy: -83.857 tors. eta vs tors. theta energy: -126.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1532.632717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.632717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.632717 (E_RNA) where: Base-Base interactions energy: -1016.803 where: short stacking energy: -454.328 Base-Backbone interact. energy: -3.920 local terms energy: -511.908936 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -113.407 flat angles C4'-P-C4' energy: -112.941 flat angles P-C4'-P energy: -65.562 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: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1264.318432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.318432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.318432 (E_RNA) where: Base-Base interactions energy: -780.780 where: short stacking energy: -373.444 Base-Backbone interact. energy: 0.923 local terms energy: -484.461252 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -117.393 flat angles C4'-P-C4' energy: -111.087 flat angles P-C4'-P energy: -63.225 tors. eta vs tors. theta energy: -85.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -818.443715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.443715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.443715 (E_RNA) where: Base-Base interactions energy: -401.164 where: short stacking energy: -239.163 Base-Backbone interact. energy: -1.790 local terms energy: -415.489882 where: bonds (distance) C4'-P energy: -120.992 bonds (distance) P-C4' energy: -109.732 flat angles C4'-P-C4' energy: -100.898 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -20.323 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: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -733.373541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.373541 (E_RNA) where: Base-Base interactions energy: -327.966 where: short stacking energy: -202.032 Base-Backbone interact. energy: 0.597 local terms energy: -406.004535 where: bonds (distance) C4'-P energy: -107.138 bonds (distance) P-C4' energy: -125.525 flat angles C4'-P-C4' energy: -99.714 flat angles P-C4'-P energy: -67.432 tors. eta vs tors. theta energy: -6.196 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: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -650.133804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.133804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.133804 (E_RNA) where: Base-Base interactions energy: -308.232 where: short stacking energy: -157.709 Base-Backbone interact. energy: 3.461 local terms energy: -345.362337 where: bonds (distance) C4'-P energy: -95.749 bonds (distance) P-C4' energy: -105.238 flat angles C4'-P-C4' energy: -105.120 flat angles P-C4'-P energy: -57.340 tors. eta vs tors. theta energy: 18.084 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: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2153.870135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.870135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.870135 (E_RNA) where: Base-Base interactions energy: -1475.179 where: short stacking energy: -643.482 Base-Backbone interact. energy: 0.184 local terms energy: -678.875040 where: bonds (distance) C4'-P energy: -119.861 bonds (distance) P-C4' energy: -132.805 flat angles C4'-P-C4' energy: -151.737 flat angles P-C4'-P energy: -87.862 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: 166 Temperature: 0.950000 Total energy: -2064.788121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.788121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.788121 (E_RNA) where: Base-Base interactions energy: -1428.709 where: short stacking energy: -592.616 Base-Backbone interact. energy: -1.157 local terms energy: -634.922300 where: bonds (distance) C4'-P energy: -120.241 bonds (distance) P-C4' energy: -129.928 flat angles C4'-P-C4' energy: -136.066 flat angles P-C4'-P energy: -88.668 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: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1996.992943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.992943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.992943 (E_RNA) where: Base-Base interactions energy: -1356.705 where: short stacking energy: -564.437 Base-Backbone interact. energy: -0.926 local terms energy: -639.362134 where: bonds (distance) C4'-P energy: -108.657 bonds (distance) P-C4' energy: -131.878 flat angles C4'-P-C4' energy: -140.989 flat angles P-C4'-P energy: -95.440 tors. eta vs tors. theta energy: -162.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1838.517624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.517624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.517624 (E_RNA) where: Base-Base interactions energy: -1213.589 where: short stacking energy: -548.486 Base-Backbone interact. energy: -2.154 local terms energy: -622.774899 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -117.520 flat angles C4'-P-C4' energy: -125.936 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -157.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1707.051263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.051263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.051263 (E_RNA) where: Base-Base interactions energy: -1114.945 where: short stacking energy: -516.614 Base-Backbone interact. energy: -1.357 local terms energy: -590.748866 where: bonds (distance) C4'-P energy: -123.154 bonds (distance) P-C4' energy: -109.762 flat angles C4'-P-C4' energy: -122.810 flat angles P-C4'-P energy: -86.038 tors. eta vs tors. theta energy: -148.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1579.063348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.063348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.063348 (E_RNA) where: Base-Base interactions energy: -1016.951 where: short stacking energy: -457.838 Base-Backbone interact. energy: -2.565 local terms energy: -559.547568 where: bonds (distance) C4'-P energy: -108.220 bonds (distance) P-C4' energy: -125.020 flat angles C4'-P-C4' energy: -117.395 flat angles P-C4'-P energy: -79.718 tors. eta vs tors. theta energy: -129.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1264.426601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.426601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.426601 (E_RNA) where: Base-Base interactions energy: -801.588 where: short stacking energy: -357.538 Base-Backbone interact. energy: -4.167 local terms energy: -458.672015 where: bonds (distance) C4'-P energy: -95.725 bonds (distance) P-C4' energy: -118.881 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -75.192 tors. eta vs tors. theta energy: -59.534 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: 166 Temperature: 1.250000 Total energy: -894.748102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.748102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.748102 (E_RNA) where: Base-Base interactions energy: -483.366 where: short stacking energy: -240.602 Base-Backbone interact. energy: 0.992 local terms energy: -412.373783 where: bonds (distance) C4'-P energy: -114.613 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -100.540 flat angles P-C4'-P energy: -66.610 tors. eta vs tors. theta energy: -22.390 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: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -751.147945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.147945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.147945 (E_RNA) where: Base-Base interactions energy: -390.498 where: short stacking energy: -225.352 Base-Backbone interact. energy: -0.174 local terms energy: -360.475970 where: bonds (distance) C4'-P energy: -85.715 bonds (distance) P-C4' energy: -105.305 flat angles C4'-P-C4' energy: -81.063 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -28.454 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: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -687.528365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.528365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.528365 (E_RNA) where: Base-Base interactions energy: -335.961 where: short stacking energy: -166.637 Base-Backbone interact. energy: -3.794 local terms energy: -347.773932 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -110.733 flat angles C4'-P-C4' energy: -78.234 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: 6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2131.390263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.390263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.390263 (E_RNA) where: Base-Base interactions energy: -1470.430 where: short stacking energy: -625.063 Base-Backbone interact. energy: -5.310 local terms energy: -655.649733 where: bonds (distance) C4'-P energy: -119.463 bonds (distance) P-C4' energy: -123.438 flat angles C4'-P-C4' energy: -150.189 flat angles P-C4'-P energy: -77.363 tors. eta vs tors. theta energy: -185.197 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: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2033.727224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.727224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.727224 (E_RNA) where: Base-Base interactions energy: -1405.659 where: short stacking energy: -585.378 Base-Backbone interact. energy: -2.057 local terms energy: -626.011660 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -133.812 flat angles C4'-P-C4' energy: -132.438 flat angles P-C4'-P energy: -83.661 tors. eta vs tors. theta energy: -155.373 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: 167 Temperature: 1.000000 Total energy: -1994.002320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.002320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.002320 (E_RNA) where: Base-Base interactions energy: -1344.938 where: short stacking energy: -562.577 Base-Backbone interact. energy: -5.133 local terms energy: -643.930856 where: bonds (distance) C4'-P energy: -124.799 bonds (distance) P-C4' energy: -137.046 flat angles C4'-P-C4' energy: -126.309 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -165.375 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: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1783.180965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.180965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.180965 (E_RNA) where: Base-Base interactions energy: -1207.397 where: short stacking energy: -552.659 Base-Backbone interact. energy: -1.616 local terms energy: -574.168441 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -110.948 flat angles C4'-P-C4' energy: -133.712 flat angles P-C4'-P energy: -83.740 tors. eta vs tors. theta energy: -149.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1702.037260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.037260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.037260 (E_RNA) where: Base-Base interactions energy: -1137.313 where: short stacking energy: -532.447 Base-Backbone interact. energy: -0.629 local terms energy: -564.095180 where: bonds (distance) C4'-P energy: -117.811 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -111.258 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -158.127 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: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1592.643875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.643875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.643875 (E_RNA) where: Base-Base interactions energy: -1076.770 where: short stacking energy: -476.069 Base-Backbone interact. energy: -1.511 local terms energy: -514.363302 where: bonds (distance) C4'-P energy: -104.894 bonds (distance) P-C4' energy: -115.632 flat angles C4'-P-C4' energy: -108.873 flat angles P-C4'-P energy: -64.191 tors. eta vs tors. theta energy: -120.773 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: 167 Temperature: 1.200000 Total energy: -1266.325108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.325108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.325108 (E_RNA) where: Base-Base interactions energy: -795.270 where: short stacking energy: -379.255 Base-Backbone interact. energy: -2.502 local terms energy: -468.553551 where: bonds (distance) C4'-P energy: -117.198 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -96.098 flat angles P-C4'-P energy: -83.992 tors. eta vs tors. theta energy: -70.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -921.923547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.923547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.923547 (E_RNA) where: Base-Base interactions energy: -542.053 where: short stacking energy: -272.725 Base-Backbone interact. energy: -2.846 local terms energy: -377.025206 where: bonds (distance) C4'-P energy: -83.525 bonds (distance) P-C4' energy: -121.024 flat angles C4'-P-C4' energy: -108.685 flat angles P-C4'-P energy: -44.677 tors. eta vs tors. theta energy: -19.114 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: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -770.151978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.151978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.151978 (E_RNA) where: Base-Base interactions energy: -403.371 where: short stacking energy: -238.988 Base-Backbone interact. energy: 1.178 local terms energy: -367.958827 where: bonds (distance) C4'-P energy: -97.512 bonds (distance) P-C4' energy: -108.043 flat angles C4'-P-C4' energy: -106.264 flat angles P-C4'-P energy: -62.918 tors. eta vs tors. theta energy: 6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -654.920302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.920302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.920302 (E_RNA) where: Base-Base interactions energy: -304.774 where: short stacking energy: -198.067 Base-Backbone interact. energy: 1.014 local terms energy: -351.159652 where: bonds (distance) C4'-P energy: -111.166 bonds (distance) P-C4' energy: -105.072 flat angles C4'-P-C4' energy: -84.845 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: 2.329 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: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2139.977681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.977681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.977681 (E_RNA) where: Base-Base interactions energy: -1469.912 where: short stacking energy: -618.922 Base-Backbone interact. energy: -2.747 local terms energy: -667.318980 where: bonds (distance) C4'-P energy: -127.406 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -139.029 flat angles P-C4'-P energy: -84.263 tors. eta vs tors. theta energy: -180.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2058.015430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.015430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.015430 (E_RNA) where: Base-Base interactions energy: -1419.031 where: short stacking energy: -587.944 Base-Backbone interact. energy: -2.274 local terms energy: -636.710259 where: bonds (distance) C4'-P energy: -128.349 bonds (distance) P-C4' energy: -128.201 flat angles C4'-P-C4' energy: -140.605 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -161.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1971.424912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.424912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.424912 (E_RNA) where: Base-Base interactions energy: -1359.331 where: short stacking energy: -543.830 Base-Backbone interact. energy: -5.966 local terms energy: -606.128113 where: bonds (distance) C4'-P energy: -112.582 bonds (distance) P-C4' energy: -129.896 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -81.243 tors. eta vs tors. theta energy: -153.208 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: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1796.063065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.063065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.063065 (E_RNA) where: Base-Base interactions energy: -1185.666 where: short stacking energy: -538.585 Base-Backbone interact. energy: 1.887 local terms energy: -612.283818 where: bonds (distance) C4'-P energy: -105.445 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -151.908 flat angles P-C4'-P energy: -89.652 tors. eta vs tors. theta energy: -154.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1648.579619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.579619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.579619 (E_RNA) where: Base-Base interactions energy: -1100.209 where: short stacking energy: -511.548 Base-Backbone interact. energy: -1.506 local terms energy: -546.864788 where: bonds (distance) C4'-P energy: -121.334 bonds (distance) P-C4' energy: -105.652 flat angles C4'-P-C4' energy: -112.871 flat angles P-C4'-P energy: -78.712 tors. eta vs tors. theta energy: -128.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1639.104670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.104670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.104670 (E_RNA) where: Base-Base interactions energy: -1104.903 where: short stacking energy: -489.836 Base-Backbone interact. energy: 1.449 local terms energy: -535.649968 where: bonds (distance) C4'-P energy: -92.660 bonds (distance) P-C4' energy: -124.499 flat angles C4'-P-C4' energy: -119.265 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -139.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1211.957907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.957907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.957907 (E_RNA) where: Base-Base interactions energy: -759.192 where: short stacking energy: -345.242 Base-Backbone interact. energy: -2.475 local terms energy: -450.290366 where: bonds (distance) C4'-P energy: -107.967 bonds (distance) P-C4' energy: -117.240 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -58.050 tors. eta vs tors. theta energy: -66.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -935.013507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.013507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.013507 (E_RNA) where: Base-Base interactions energy: -544.292 where: short stacking energy: -286.347 Base-Backbone interact. energy: 1.237 local terms energy: -391.958969 where: bonds (distance) C4'-P energy: -87.410 bonds (distance) P-C4' energy: -102.811 flat angles C4'-P-C4' energy: -114.810 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -31.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -769.166890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.166890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.166890 (E_RNA) where: Base-Base interactions energy: -406.507 where: short stacking energy: -230.229 Base-Backbone interact. energy: -1.682 local terms energy: -360.977798 where: bonds (distance) C4'-P energy: -112.065 bonds (distance) P-C4' energy: -100.198 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -38.235 tors. eta vs tors. theta energy: -18.263 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: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -613.190424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.190424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.190424 (E_RNA) where: Base-Base interactions energy: -274.866 where: short stacking energy: -182.380 Base-Backbone interact. energy: 1.138 local terms energy: -339.462588 where: bonds (distance) C4'-P energy: -93.353 bonds (distance) P-C4' energy: -120.475 flat angles C4'-P-C4' energy: -78.043 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: 2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2122.512938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.512938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.512938 (E_RNA) where: Base-Base interactions energy: -1455.742 where: short stacking energy: -615.950 Base-Backbone interact. energy: -1.112 local terms energy: -665.658627 where: bonds (distance) C4'-P energy: -125.037 bonds (distance) P-C4' energy: -132.138 flat angles C4'-P-C4' energy: -142.287 flat angles P-C4'-P energy: -78.370 tors. eta vs tors. theta energy: -187.827 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: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2029.268079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.268079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.268079 (E_RNA) where: Base-Base interactions energy: -1426.147 where: short stacking energy: -592.591 Base-Backbone interact. energy: -5.228 local terms energy: -597.893516 where: bonds (distance) C4'-P energy: -102.520 bonds (distance) P-C4' energy: -121.323 flat angles C4'-P-C4' energy: -134.447 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -159.609 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1983.042498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.042498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.042498 (E_RNA) where: Base-Base interactions energy: -1388.409 where: short stacking energy: -574.888 Base-Backbone interact. energy: -3.858 local terms energy: -590.775743 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -114.314 flat angles C4'-P-C4' energy: -126.022 flat angles P-C4'-P energy: -83.305 tors. eta vs tors. theta energy: -143.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1825.120423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.120423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.120423 (E_RNA) where: Base-Base interactions energy: -1214.432 where: short stacking energy: -557.755 Base-Backbone interact. energy: -2.358 local terms energy: -608.330402 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -119.163 flat angles C4'-P-C4' energy: -138.481 flat angles P-C4'-P energy: -78.734 tors. eta vs tors. theta energy: -172.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1632.435021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.435021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.435021 (E_RNA) where: Base-Base interactions energy: -1065.252 where: short stacking energy: -449.372 Base-Backbone interact. energy: -1.017 local terms energy: -566.165912 where: bonds (distance) C4'-P energy: -102.803 bonds (distance) P-C4' energy: -117.141 flat angles C4'-P-C4' energy: -128.823 flat angles P-C4'-P energy: -90.307 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: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1608.531457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.531457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.531457 (E_RNA) where: Base-Base interactions energy: -1058.681 where: short stacking energy: -487.016 Base-Backbone interact. energy: 3.901 local terms energy: -553.752360 where: bonds (distance) C4'-P energy: -108.382 bonds (distance) P-C4' energy: -119.285 flat angles C4'-P-C4' energy: -110.653 flat angles P-C4'-P energy: -78.060 tors. eta vs tors. theta energy: -137.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1234.707997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.707997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.707997 (E_RNA) where: Base-Base interactions energy: -778.854 where: short stacking energy: -331.346 Base-Backbone interact. energy: -0.921 local terms energy: -454.933298 where: bonds (distance) C4'-P energy: -112.780 bonds (distance) P-C4' energy: -126.343 flat angles C4'-P-C4' energy: -97.594 flat angles P-C4'-P energy: -64.890 tors. eta vs tors. theta energy: -53.326 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: 169 Temperature: 1.250000 Total energy: -924.972081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.972081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.972081 (E_RNA) where: Base-Base interactions energy: -536.157 where: short stacking energy: -270.601 Base-Backbone interact. energy: -0.894 local terms energy: -387.920827 where: bonds (distance) C4'-P energy: -104.272 bonds (distance) P-C4' energy: -91.045 flat angles C4'-P-C4' energy: -101.343 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -32.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -683.126093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.126093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.126093 (E_RNA) where: Base-Base interactions energy: -331.387 where: short stacking energy: -185.077 Base-Backbone interact. energy: 1.694 local terms energy: -353.433103 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -109.396 flat angles C4'-P-C4' energy: -77.636 flat angles P-C4'-P energy: -71.124 tors. eta vs tors. theta energy: 12.921 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: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -575.844209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.844209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.844209 (E_RNA) where: Base-Base interactions energy: -239.902 where: short stacking energy: -169.035 Base-Backbone interact. energy: -0.298 local terms energy: -335.643815 where: bonds (distance) C4'-P energy: -96.286 bonds (distance) P-C4' energy: -104.145 flat angles C4'-P-C4' energy: -89.452 flat angles P-C4'-P energy: -51.222 tors. eta vs tors. theta energy: 5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2106.530488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.530488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.530488 (E_RNA) where: Base-Base interactions energy: -1417.724 where: short stacking energy: -621.810 Base-Backbone interact. energy: -3.908 local terms energy: -684.899122 where: bonds (distance) C4'-P energy: -131.759 bonds (distance) P-C4' energy: -122.010 flat angles C4'-P-C4' energy: -140.502 flat angles P-C4'-P energy: -97.000 tors. eta vs tors. theta energy: -193.628 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: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2040.426788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.426788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.426788 (E_RNA) where: Base-Base interactions energy: -1388.563 where: short stacking energy: -570.753 Base-Backbone interact. energy: -4.583 local terms energy: -647.280903 where: bonds (distance) C4'-P energy: -126.380 bonds (distance) P-C4' energy: -121.542 flat angles C4'-P-C4' energy: -147.113 flat angles P-C4'-P energy: -94.396 tors. eta vs tors. theta energy: -157.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1975.560585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.560585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.560585 (E_RNA) where: Base-Base interactions energy: -1375.851 where: short stacking energy: -570.425 Base-Backbone interact. energy: -2.674 local terms energy: -597.034824 where: bonds (distance) C4'-P energy: -112.175 bonds (distance) P-C4' energy: -126.932 flat angles C4'-P-C4' energy: -118.754 flat angles P-C4'-P energy: -81.923 tors. eta vs tors. theta energy: -157.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1840.816283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.816283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.816283 (E_RNA) where: Base-Base interactions energy: -1213.385 where: short stacking energy: -557.207 Base-Backbone interact. energy: 1.838 local terms energy: -629.269769 where: bonds (distance) C4'-P energy: -112.891 bonds (distance) P-C4' energy: -124.841 flat angles C4'-P-C4' energy: -144.931 flat angles P-C4'-P energy: -80.753 tors. eta vs tors. theta energy: -165.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1728.422249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.422249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.422249 (E_RNA) where: Base-Base interactions energy: -1132.433 where: short stacking energy: -479.816 Base-Backbone interact. energy: -3.741 local terms energy: -592.248942 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -128.473 flat angles C4'-P-C4' energy: -133.648 flat angles P-C4'-P energy: -84.025 tors. eta vs tors. theta energy: -126.790 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: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1588.590306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.590306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.590306 (E_RNA) where: Base-Base interactions energy: -1066.562 where: short stacking energy: -497.834 Base-Backbone interact. energy: -0.065 local terms energy: -521.963707 where: bonds (distance) C4'-P energy: -100.207 bonds (distance) P-C4' energy: -111.385 flat angles C4'-P-C4' energy: -113.940 flat angles P-C4'-P energy: -66.729 tors. eta vs tors. theta energy: -129.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1250.856051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.856051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.856051 (E_RNA) where: Base-Base interactions energy: -790.589 where: short stacking energy: -385.684 Base-Backbone interact. energy: -2.625 local terms energy: -457.642055 where: bonds (distance) C4'-P energy: -97.807 bonds (distance) P-C4' energy: -100.576 flat angles C4'-P-C4' energy: -105.947 flat angles P-C4'-P energy: -72.901 tors. eta vs tors. theta energy: -80.410 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: 170 Temperature: 1.250000 Total energy: -914.765542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.765542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.765542 (E_RNA) where: Base-Base interactions energy: -508.053 where: short stacking energy: -257.183 Base-Backbone interact. energy: 1.154 local terms energy: -407.866681 where: bonds (distance) C4'-P energy: -104.600 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -103.409 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -753.626177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.626177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.626177 (E_RNA) where: Base-Base interactions energy: -393.967 where: short stacking energy: -203.090 Base-Backbone interact. energy: -0.694 local terms energy: -358.964572 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -108.148 flat angles C4'-P-C4' energy: -79.518 flat angles P-C4'-P energy: -54.432 tors. eta vs tors. theta energy: -21.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -638.110354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.110354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.110354 (E_RNA) where: Base-Base interactions energy: -291.379 where: short stacking energy: -170.941 Base-Backbone interact. energy: 6.250 local terms energy: -352.981658 where: bonds (distance) C4'-P energy: -91.649 bonds (distance) P-C4' energy: -105.000 flat angles C4'-P-C4' energy: -98.703 flat angles P-C4'-P energy: -59.880 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: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2112.123917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.123917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.123917 (E_RNA) where: Base-Base interactions energy: -1446.385 where: short stacking energy: -615.823 Base-Backbone interact. energy: -2.832 local terms energy: -662.906897 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -118.056 flat angles C4'-P-C4' energy: -136.693 flat angles P-C4'-P energy: -98.395 tors. eta vs tors. theta energy: -175.401 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: 171 Temperature: 0.950000 Total energy: -2019.851148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.851148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.851148 (E_RNA) where: Base-Base interactions energy: -1421.720 where: short stacking energy: -581.649 Base-Backbone interact. energy: -5.478 local terms energy: -592.653606 where: bonds (distance) C4'-P energy: -107.568 bonds (distance) P-C4' energy: -124.292 flat angles C4'-P-C4' energy: -117.768 flat angles P-C4'-P energy: -93.343 tors. eta vs tors. theta energy: -149.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1935.349629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.349629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.349629 (E_RNA) where: Base-Base interactions energy: -1314.005 where: short stacking energy: -537.658 Base-Backbone interact. energy: -4.926 local terms energy: -616.417870 where: bonds (distance) C4'-P energy: -104.868 bonds (distance) P-C4' energy: -132.045 flat angles C4'-P-C4' energy: -138.738 flat angles P-C4'-P energy: -88.218 tors. eta vs tors. theta energy: -152.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1797.404801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.404801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.404801 (E_RNA) where: Base-Base interactions energy: -1188.795 where: short stacking energy: -527.816 Base-Backbone interact. energy: -1.198 local terms energy: -607.411430 where: bonds (distance) C4'-P energy: -122.960 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -122.259 flat angles P-C4'-P energy: -78.114 tors. eta vs tors. theta energy: -163.378 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: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1628.721172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.721172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.721172 (E_RNA) where: Base-Base interactions energy: -1083.788 where: short stacking energy: -485.990 Base-Backbone interact. energy: -1.496 local terms energy: -543.437423 where: bonds (distance) C4'-P energy: -95.871 bonds (distance) P-C4' energy: -132.396 flat angles C4'-P-C4' energy: -117.657 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -128.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1557.471275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.471275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.471275 (E_RNA) where: Base-Base interactions energy: -1022.414 where: short stacking energy: -472.057 Base-Backbone interact. energy: 3.380 local terms energy: -538.437497 where: bonds (distance) C4'-P energy: -115.310 bonds (distance) P-C4' energy: -95.685 flat angles C4'-P-C4' energy: -116.736 flat angles P-C4'-P energy: -87.522 tors. eta vs tors. theta energy: -123.185 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: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1221.074027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.074027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.074027 (E_RNA) where: Base-Base interactions energy: -773.972 where: short stacking energy: -363.020 Base-Backbone interact. energy: -4.192 local terms energy: -442.909570 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -108.697 flat angles C4'-P-C4' energy: -93.334 flat angles P-C4'-P energy: -72.541 tors. eta vs tors. theta energy: -66.893 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: 171 Temperature: 1.250000 Total energy: -835.827301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.827301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.827301 (E_RNA) where: Base-Base interactions energy: -453.336 where: short stacking energy: -237.129 Base-Backbone interact. energy: -1.534 local terms energy: -380.956782 where: bonds (distance) C4'-P energy: -116.433 bonds (distance) P-C4' energy: -117.495 flat angles C4'-P-C4' energy: -90.792 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -3.146 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: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -723.642817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.642817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.642817 (E_RNA) where: Base-Base interactions energy: -364.324 where: short stacking energy: -204.597 Base-Backbone interact. energy: 0.737 local terms energy: -360.055119 where: bonds (distance) C4'-P energy: -94.627 bonds (distance) P-C4' energy: -109.669 flat angles C4'-P-C4' energy: -100.740 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -4.045 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: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -577.730327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.730327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.730327 (E_RNA) where: Base-Base interactions energy: -254.254 where: short stacking energy: -150.798 Base-Backbone interact. energy: 0.430 local terms energy: -323.906094 where: bonds (distance) C4'-P energy: -94.757 bonds (distance) P-C4' energy: -105.072 flat angles C4'-P-C4' energy: -109.589 flat angles P-C4'-P energy: -35.130 tors. eta vs tors. theta energy: 20.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2083.641629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.641629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.641629 (E_RNA) where: Base-Base interactions energy: -1442.385 where: short stacking energy: -574.148 Base-Backbone interact. energy: -8.611 local terms energy: -632.644858 where: bonds (distance) C4'-P energy: -139.668 bonds (distance) P-C4' energy: -117.492 flat angles C4'-P-C4' energy: -127.933 flat angles P-C4'-P energy: -93.554 tors. eta vs tors. theta energy: -153.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2072.572345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.572345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.572345 (E_RNA) where: Base-Base interactions energy: -1404.345 where: short stacking energy: -601.060 Base-Backbone interact. energy: 0.274 local terms energy: -668.501258 where: bonds (distance) C4'-P energy: -132.804 bonds (distance) P-C4' energy: -125.770 flat angles C4'-P-C4' energy: -136.703 flat angles P-C4'-P energy: -87.867 tors. eta vs tors. theta energy: -185.357 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: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1942.738646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.738646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.738646 (E_RNA) where: Base-Base interactions energy: -1321.053 where: short stacking energy: -561.108 Base-Backbone interact. energy: -4.356 local terms energy: -617.329475 where: bonds (distance) C4'-P energy: -114.005 bonds (distance) P-C4' energy: -128.375 flat angles C4'-P-C4' energy: -137.457 flat angles P-C4'-P energy: -86.652 tors. eta vs tors. theta energy: -150.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1782.150076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.150076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.150076 (E_RNA) where: Base-Base interactions energy: -1182.429 where: short stacking energy: -537.316 Base-Backbone interact. energy: -0.983 local terms energy: -598.738580 where: bonds (distance) C4'-P energy: -108.064 bonds (distance) P-C4' energy: -121.828 flat angles C4'-P-C4' energy: -134.239 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -144.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1651.538742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.538742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.538742 (E_RNA) where: Base-Base interactions energy: -1112.096 where: short stacking energy: -495.838 Base-Backbone interact. energy: -3.888 local terms energy: -535.554922 where: bonds (distance) C4'-P energy: -107.369 bonds (distance) P-C4' energy: -129.149 flat angles C4'-P-C4' energy: -120.055 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -114.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1601.850494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.850494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.850494 (E_RNA) where: Base-Base interactions energy: -1053.723 where: short stacking energy: -481.220 Base-Backbone interact. energy: -0.890 local terms energy: -547.237104 where: bonds (distance) C4'-P energy: -120.966 bonds (distance) P-C4' energy: -99.964 flat angles C4'-P-C4' energy: -125.667 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -134.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1276.047870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.047870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.047870 (E_RNA) where: Base-Base interactions energy: -814.050 where: short stacking energy: -379.219 Base-Backbone interact. energy: -3.159 local terms energy: -458.839468 where: bonds (distance) C4'-P energy: -100.373 bonds (distance) P-C4' energy: -113.925 flat angles C4'-P-C4' energy: -94.514 flat angles P-C4'-P energy: -75.529 tors. eta vs tors. theta energy: -74.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -875.929102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.929102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.929102 (E_RNA) where: Base-Base interactions energy: -461.050 where: short stacking energy: -246.129 Base-Backbone interact. energy: -2.825 local terms energy: -412.054179 where: bonds (distance) C4'-P energy: -101.863 bonds (distance) P-C4' energy: -107.040 flat angles C4'-P-C4' energy: -92.098 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -36.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -734.584821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.584821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.584821 (E_RNA) where: Base-Base interactions energy: -380.636 where: short stacking energy: -229.125 Base-Backbone interact. energy: 0.987 local terms energy: -354.936114 where: bonds (distance) C4'-P energy: -103.197 bonds (distance) P-C4' energy: -109.942 flat angles C4'-P-C4' energy: -91.692 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -559.608166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.608166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.608166 (E_RNA) where: Base-Base interactions energy: -208.661 where: short stacking energy: -147.941 Base-Backbone interact. energy: 5.239 local terms energy: -356.185451 where: bonds (distance) C4'-P energy: -112.225 bonds (distance) P-C4' energy: -123.448 flat angles C4'-P-C4' energy: -95.416 flat angles P-C4'-P energy: -46.769 tors. eta vs tors. theta energy: 21.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2093.437983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.437983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.437983 (E_RNA) where: Base-Base interactions energy: -1450.705 where: short stacking energy: -600.094 Base-Backbone interact. energy: -5.488 local terms energy: -637.245181 where: bonds (distance) C4'-P energy: -118.085 bonds (distance) P-C4' energy: -122.717 flat angles C4'-P-C4' energy: -145.103 flat angles P-C4'-P energy: -81.751 tors. eta vs tors. theta energy: -169.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2074.002030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.002030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.002030 (E_RNA) where: Base-Base interactions energy: -1418.825 where: short stacking energy: -613.514 Base-Backbone interact. energy: -1.573 local terms energy: -653.604212 where: bonds (distance) C4'-P energy: -110.604 bonds (distance) P-C4' energy: -118.437 flat angles C4'-P-C4' energy: -150.214 flat angles P-C4'-P energy: -99.959 tors. eta vs tors. theta energy: -174.389 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: 173 Temperature: 1.000000 Total energy: -1942.757235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.757235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.757235 (E_RNA) where: Base-Base interactions energy: -1355.286 where: short stacking energy: -582.181 Base-Backbone interact. energy: -3.950 local terms energy: -583.520997 where: bonds (distance) C4'-P energy: -119.638 bonds (distance) P-C4' energy: -111.213 flat angles C4'-P-C4' energy: -118.688 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -150.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1753.537351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.537351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.537351 (E_RNA) where: Base-Base interactions energy: -1156.368 where: short stacking energy: -520.171 Base-Backbone interact. energy: -2.678 local terms energy: -594.491132 where: bonds (distance) C4'-P energy: -111.395 bonds (distance) P-C4' energy: -115.745 flat angles C4'-P-C4' energy: -135.563 flat angles P-C4'-P energy: -75.275 tors. eta vs tors. theta energy: -156.512 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: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1648.087039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.087039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.087039 (E_RNA) where: Base-Base interactions energy: -1106.718 where: short stacking energy: -491.686 Base-Backbone interact. energy: -2.996 local terms energy: -538.372991 where: bonds (distance) C4'-P energy: -106.634 bonds (distance) P-C4' energy: -127.160 flat angles C4'-P-C4' energy: -111.071 flat angles P-C4'-P energy: -67.799 tors. eta vs tors. theta energy: -125.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1503.639652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.639652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.639652 (E_RNA) where: Base-Base interactions energy: -989.009 where: short stacking energy: -443.024 Base-Backbone interact. energy: -3.961 local terms energy: -510.669563 where: bonds (distance) C4'-P energy: -97.046 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -128.584 flat angles P-C4'-P energy: -77.035 tors. eta vs tors. theta energy: -108.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1283.838277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.838277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.838277 (E_RNA) where: Base-Base interactions energy: -797.085 where: short stacking energy: -376.769 Base-Backbone interact. energy: -4.476 local terms energy: -482.276876 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -114.025 flat angles C4'-P-C4' energy: -105.705 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -76.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -907.652202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.652202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.652202 (E_RNA) where: Base-Base interactions energy: -470.737 where: short stacking energy: -274.441 Base-Backbone interact. energy: -1.850 local terms energy: -435.065451 where: bonds (distance) C4'-P energy: -111.468 bonds (distance) P-C4' energy: -111.208 flat angles C4'-P-C4' energy: -106.581 flat angles P-C4'-P energy: -73.463 tors. eta vs tors. theta energy: -32.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -719.666933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.666933 (E_RNA) where: Base-Base interactions energy: -350.300 where: short stacking energy: -202.169 Base-Backbone interact. energy: -0.756 local terms energy: -368.611027 where: bonds (distance) C4'-P energy: -89.377 bonds (distance) P-C4' energy: -117.449 flat angles C4'-P-C4' energy: -90.634 flat angles P-C4'-P energy: -66.937 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -626.183339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.183339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.183339 (E_RNA) where: Base-Base interactions energy: -304.540 where: short stacking energy: -196.599 Base-Backbone interact. energy: 6.669 local terms energy: -328.312801 where: bonds (distance) C4'-P energy: -91.359 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -84.501 flat angles P-C4'-P energy: -41.043 tors. eta vs tors. theta energy: -1.794 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: 174 Temperature: 0.900000 Total energy: -2118.634392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.634392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.634392 (E_RNA) where: Base-Base interactions energy: -1460.959 where: short stacking energy: -611.013 Base-Backbone interact. energy: -8.994 local terms energy: -648.681714 where: bonds (distance) C4'-P energy: -119.763 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -150.807 flat angles P-C4'-P energy: -85.755 tors. eta vs tors. theta energy: -171.623 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: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2064.127065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.127065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.127065 (E_RNA) where: Base-Base interactions energy: -1408.509 where: short stacking energy: -587.579 Base-Backbone interact. energy: 1.038 local terms energy: -656.655376 where: bonds (distance) C4'-P energy: -132.901 bonds (distance) P-C4' energy: -127.717 flat angles C4'-P-C4' energy: -127.320 flat angles P-C4'-P energy: -87.552 tors. eta vs tors. theta energy: -181.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1977.255153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.255153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.255153 (E_RNA) where: Base-Base interactions energy: -1342.940 where: short stacking energy: -540.592 Base-Backbone interact. energy: -1.694 local terms energy: -632.621171 where: bonds (distance) C4'-P energy: -125.908 bonds (distance) P-C4' energy: -128.729 flat angles C4'-P-C4' energy: -136.506 flat angles P-C4'-P energy: -89.246 tors. eta vs tors. theta energy: -152.232 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: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1790.726515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.726515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.726515 (E_RNA) where: Base-Base interactions energy: -1191.778 where: short stacking energy: -540.839 Base-Backbone interact. energy: -1.446 local terms energy: -597.503006 where: bonds (distance) C4'-P energy: -112.355 bonds (distance) P-C4' energy: -121.899 flat angles C4'-P-C4' energy: -142.578 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -144.630 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: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1702.353134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.353134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.353134 (E_RNA) where: Base-Base interactions energy: -1138.065 where: short stacking energy: -495.663 Base-Backbone interact. energy: -1.436 local terms energy: -562.852311 where: bonds (distance) C4'-P energy: -89.620 bonds (distance) P-C4' energy: -124.117 flat angles C4'-P-C4' energy: -119.083 flat angles P-C4'-P energy: -84.436 tors. eta vs tors. theta energy: -145.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1552.768719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.768719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.768719 (E_RNA) where: Base-Base interactions energy: -1036.891 where: short stacking energy: -470.149 Base-Backbone interact. energy: -2.454 local terms energy: -513.423752 where: bonds (distance) C4'-P energy: -107.503 bonds (distance) P-C4' energy: -106.384 flat angles C4'-P-C4' energy: -123.245 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: -120.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1241.683155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.683155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.683155 (E_RNA) where: Base-Base interactions energy: -767.175 where: short stacking energy: -370.935 Base-Backbone interact. energy: 0.269 local terms energy: -474.776646 where: bonds (distance) C4'-P energy: -98.091 bonds (distance) P-C4' energy: -109.672 flat angles C4'-P-C4' energy: -118.317 flat angles P-C4'-P energy: -70.027 tors. eta vs tors. theta energy: -78.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -917.121870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.121870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.121870 (E_RNA) where: Base-Base interactions energy: -502.269 where: short stacking energy: -258.068 Base-Backbone interact. energy: -2.768 local terms energy: -412.084303 where: bonds (distance) C4'-P energy: -92.758 bonds (distance) P-C4' energy: -124.837 flat angles C4'-P-C4' energy: -116.782 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -16.914 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: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -716.272198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.272198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.272198 (E_RNA) where: Base-Base interactions energy: -346.662 where: short stacking energy: -201.459 Base-Backbone interact. energy: 0.676 local terms energy: -370.286387 where: bonds (distance) C4'-P energy: -112.200 bonds (distance) P-C4' energy: -99.321 flat angles C4'-P-C4' energy: -86.962 flat angles P-C4'-P energy: -61.296 tors. eta vs tors. theta energy: -10.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -581.472559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.472559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.472559 (E_RNA) where: Base-Base interactions energy: -263.238 where: short stacking energy: -170.320 Base-Backbone interact. energy: 5.995 local terms energy: -324.229300 where: bonds (distance) C4'-P energy: -91.495 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -47.312 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2096.982349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.982349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.982349 (E_RNA) where: Base-Base interactions energy: -1452.515 where: short stacking energy: -606.329 Base-Backbone interact. energy: -4.012 local terms energy: -640.455638 where: bonds (distance) C4'-P energy: -112.302 bonds (distance) P-C4' energy: -122.035 flat angles C4'-P-C4' energy: -138.533 flat angles P-C4'-P energy: -97.684 tors. eta vs tors. theta energy: -169.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2030.285861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.285861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.285861 (E_RNA) where: Base-Base interactions energy: -1387.302 where: short stacking energy: -562.891 Base-Backbone interact. energy: -3.051 local terms energy: -639.933157 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -138.421 flat angles C4'-P-C4' energy: -126.311 flat angles P-C4'-P energy: -92.447 tors. eta vs tors. theta energy: -157.434 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: 175 Temperature: 1.000000 Total energy: -1988.342748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.342748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.342748 (E_RNA) where: Base-Base interactions energy: -1353.999 where: short stacking energy: -564.521 Base-Backbone interact. energy: -3.752 local terms energy: -630.592359 where: bonds (distance) C4'-P energy: -124.769 bonds (distance) P-C4' energy: -118.537 flat angles C4'-P-C4' energy: -142.448 flat angles P-C4'-P energy: -89.505 tors. eta vs tors. theta energy: -155.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1813.456278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.456278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.456278 (E_RNA) where: Base-Base interactions energy: -1183.318 where: short stacking energy: -526.201 Base-Backbone interact. energy: -3.251 local terms energy: -626.887425 where: bonds (distance) C4'-P energy: -132.575 bonds (distance) P-C4' energy: -122.247 flat angles C4'-P-C4' energy: -122.119 flat angles P-C4'-P energy: -93.185 tors. eta vs tors. theta energy: -156.761 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: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1677.822084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.822084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.822084 (E_RNA) where: Base-Base interactions energy: -1122.878 where: short stacking energy: -474.356 Base-Backbone interact. energy: 2.040 local terms energy: -556.984542 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -126.987 flat angles C4'-P-C4' energy: -121.648 flat angles P-C4'-P energy: -87.198 tors. eta vs tors. theta energy: -119.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1589.507137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.507137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.507137 (E_RNA) where: Base-Base interactions energy: -1034.561 where: short stacking energy: -446.030 Base-Backbone interact. energy: -3.514 local terms energy: -551.432226 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -117.652 flat angles C4'-P-C4' energy: -115.989 flat angles P-C4'-P energy: -81.138 tors. eta vs tors. theta energy: -127.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1298.339057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.339057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.339057 (E_RNA) where: Base-Base interactions energy: -814.214 where: short stacking energy: -389.852 Base-Backbone interact. energy: -0.519 local terms energy: -483.606668 where: bonds (distance) C4'-P energy: -89.656 bonds (distance) P-C4' energy: -116.413 flat angles C4'-P-C4' energy: -113.129 flat angles P-C4'-P energy: -67.984 tors. eta vs tors. theta energy: -96.424 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: 175 Temperature: 1.250000 Total energy: -935.269525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.269525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.269525 (E_RNA) where: Base-Base interactions energy: -528.729 where: short stacking energy: -281.515 Base-Backbone interact. energy: -0.335 local terms energy: -406.205335 where: bonds (distance) C4'-P energy: -108.633 bonds (distance) P-C4' energy: -108.495 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -49.710 tors. eta vs tors. theta energy: -36.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -711.364080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.364080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.364080 (E_RNA) where: Base-Base interactions energy: -357.608 where: short stacking energy: -190.666 Base-Backbone interact. energy: 4.388 local terms energy: -358.144601 where: bonds (distance) C4'-P energy: -108.225 bonds (distance) P-C4' energy: -110.285 flat angles C4'-P-C4' energy: -89.467 flat angles P-C4'-P energy: -50.683 tors. eta vs tors. theta energy: 0.516 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: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -561.173582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.173582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.173582 (E_RNA) where: Base-Base interactions energy: -266.826 where: short stacking energy: -160.511 Base-Backbone interact. energy: 0.920 local terms energy: -295.267450 where: bonds (distance) C4'-P energy: -100.631 bonds (distance) P-C4' energy: -98.271 flat angles C4'-P-C4' energy: -81.850 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: 28.208 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: 176 Temperature: 0.900000 Total energy: -2091.685109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.685109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.685109 (E_RNA) where: Base-Base interactions energy: -1426.721 where: short stacking energy: -598.270 Base-Backbone interact. energy: -3.914 local terms energy: -661.050230 where: bonds (distance) C4'-P energy: -129.815 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -88.392 tors. eta vs tors. theta energy: -166.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2016.540791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.540791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.540791 (E_RNA) where: Base-Base interactions energy: -1412.516 where: short stacking energy: -593.924 Base-Backbone interact. energy: -1.798 local terms energy: -602.227311 where: bonds (distance) C4'-P energy: -111.125 bonds (distance) P-C4' energy: -120.355 flat angles C4'-P-C4' energy: -134.709 flat angles P-C4'-P energy: -90.366 tors. eta vs tors. theta energy: -145.673 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: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2003.781993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.781993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.781993 (E_RNA) where: Base-Base interactions energy: -1365.834 where: short stacking energy: -587.416 Base-Backbone interact. energy: -2.490 local terms energy: -635.458222 where: bonds (distance) C4'-P energy: -118.017 bonds (distance) P-C4' energy: -118.549 flat angles C4'-P-C4' energy: -137.303 flat angles P-C4'-P energy: -93.905 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: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1816.279773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.279773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.279773 (E_RNA) where: Base-Base interactions energy: -1230.558 where: short stacking energy: -544.148 Base-Backbone interact. energy: -2.216 local terms energy: -583.505759 where: bonds (distance) C4'-P energy: -114.583 bonds (distance) P-C4' energy: -111.742 flat angles C4'-P-C4' energy: -132.779 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -141.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1662.487698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.487698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.487698 (E_RNA) where: Base-Base interactions energy: -1110.842 where: short stacking energy: -482.222 Base-Backbone interact. energy: -2.965 local terms energy: -548.680440 where: bonds (distance) C4'-P energy: -107.147 bonds (distance) P-C4' energy: -123.316 flat angles C4'-P-C4' energy: -129.061 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -114.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1628.867991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.867991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.867991 (E_RNA) where: Base-Base interactions energy: -1094.203 where: short stacking energy: -471.833 Base-Backbone interact. energy: -1.429 local terms energy: -533.235916 where: bonds (distance) C4'-P energy: -86.968 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -113.348 flat angles P-C4'-P energy: -79.136 tors. eta vs tors. theta energy: -136.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1310.693259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.693259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.693259 (E_RNA) where: Base-Base interactions energy: -834.986 where: short stacking energy: -394.052 Base-Backbone interact. energy: 3.453 local terms energy: -479.159728 where: bonds (distance) C4'-P energy: -103.359 bonds (distance) P-C4' energy: -115.444 flat angles C4'-P-C4' energy: -101.472 flat angles P-C4'-P energy: -58.365 tors. eta vs tors. theta energy: -100.520 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: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1001.773637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.773637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.773637 (E_RNA) where: Base-Base interactions energy: -582.616 where: short stacking energy: -264.667 Base-Backbone interact. energy: -2.767 local terms energy: -416.390151 where: bonds (distance) C4'-P energy: -93.591 bonds (distance) P-C4' energy: -111.217 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -74.648 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: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -708.777974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.777974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.777974 (E_RNA) where: Base-Base interactions energy: -355.311 where: short stacking energy: -204.924 Base-Backbone interact. energy: 2.321 local terms energy: -355.788247 where: bonds (distance) C4'-P energy: -98.790 bonds (distance) P-C4' energy: -107.663 flat angles C4'-P-C4' energy: -100.659 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: 3.755 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: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -489.773113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.773113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.773113 (E_RNA) where: Base-Base interactions energy: -198.581 where: short stacking energy: -165.250 Base-Backbone interact. energy: 6.620 local terms energy: -297.811538 where: bonds (distance) C4'-P energy: -98.302 bonds (distance) P-C4' energy: -108.745 flat angles C4'-P-C4' energy: -75.960 flat angles P-C4'-P energy: -31.410 tors. eta vs tors. theta energy: 16.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2084.539469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.539469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.539469 (E_RNA) where: Base-Base interactions energy: -1445.002 where: short stacking energy: -591.224 Base-Backbone interact. energy: -0.401 local terms energy: -639.136772 where: bonds (distance) C4'-P energy: -117.774 bonds (distance) P-C4' energy: -123.888 flat angles C4'-P-C4' energy: -141.630 flat angles P-C4'-P energy: -88.809 tors. eta vs tors. theta energy: -167.036 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: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2019.736943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.736943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.736943 (E_RNA) where: Base-Base interactions energy: -1406.545 where: short stacking energy: -592.270 Base-Backbone interact. energy: -2.062 local terms energy: -611.129083 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -125.542 flat angles C4'-P-C4' energy: -135.837 flat angles P-C4'-P energy: -66.417 tors. eta vs tors. theta energy: -164.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1999.226004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.226004 (E_RNA) where: Base-Base interactions energy: -1384.602 where: short stacking energy: -605.517 Base-Backbone interact. energy: -1.849 local terms energy: -612.774824 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -119.852 flat angles C4'-P-C4' energy: -130.402 flat angles P-C4'-P energy: -74.345 tors. eta vs tors. theta energy: -172.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1876.425672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.425672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.425672 (E_RNA) where: Base-Base interactions energy: -1253.728 where: short stacking energy: -565.672 Base-Backbone interact. energy: -1.590 local terms energy: -621.108297 where: bonds (distance) C4'-P energy: -115.805 bonds (distance) P-C4' energy: -113.278 flat angles C4'-P-C4' energy: -136.324 flat angles P-C4'-P energy: -91.117 tors. eta vs tors. theta energy: -164.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1715.410588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.410588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.410588 (E_RNA) where: Base-Base interactions energy: -1164.100 where: short stacking energy: -501.635 Base-Backbone interact. energy: -1.485 local terms energy: -549.825120 where: bonds (distance) C4'-P energy: -92.304 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -127.816 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -132.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1643.970005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.970005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.970005 (E_RNA) where: Base-Base interactions energy: -1114.477 where: short stacking energy: -460.979 Base-Backbone interact. energy: -2.513 local terms energy: -526.979977 where: bonds (distance) C4'-P energy: -102.131 bonds (distance) P-C4' energy: -124.503 flat angles C4'-P-C4' energy: -106.802 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: -123.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1281.834563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.834563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.834563 (E_RNA) where: Base-Base interactions energy: -805.290 where: short stacking energy: -389.917 Base-Backbone interact. energy: 2.642 local terms energy: -479.186783 where: bonds (distance) C4'-P energy: -98.172 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -107.654 flat angles P-C4'-P energy: -51.333 tors. eta vs tors. theta energy: -88.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -975.101164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.101164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.101164 (E_RNA) where: Base-Base interactions energy: -557.589 where: short stacking energy: -281.382 Base-Backbone interact. energy: -0.381 local terms energy: -417.130763 where: bonds (distance) C4'-P energy: -101.271 bonds (distance) P-C4' energy: -112.344 flat angles C4'-P-C4' energy: -93.962 flat angles P-C4'-P energy: -72.686 tors. eta vs tors. theta energy: -36.868 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: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -726.127238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.127238 (E_RNA) where: Base-Base interactions energy: -366.556 where: short stacking energy: -223.566 Base-Backbone interact. energy: -0.132 local terms energy: -359.439235 where: bonds (distance) C4'-P energy: -94.199 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -96.925 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -499.495066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.495066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.495066 (E_RNA) where: Base-Base interactions energy: -200.830 where: short stacking energy: -175.368 Base-Backbone interact. energy: 10.580 local terms energy: -309.244743 where: bonds (distance) C4'-P energy: -79.743 bonds (distance) P-C4' energy: -114.637 flat angles C4'-P-C4' energy: -87.778 flat angles P-C4'-P energy: -39.771 tors. eta vs tors. theta energy: 12.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2074.938544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.938544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.938544 (E_RNA) where: Base-Base interactions energy: -1453.505 where: short stacking energy: -589.256 Base-Backbone interact. energy: -5.981 local terms energy: -615.452672 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -111.117 flat angles C4'-P-C4' energy: -127.539 flat angles P-C4'-P energy: -91.561 tors. eta vs tors. theta energy: -166.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2015.898375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.898375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.898375 (E_RNA) where: Base-Base interactions energy: -1434.474 where: short stacking energy: -625.839 Base-Backbone interact. energy: 1.302 local terms energy: -582.726223 where: bonds (distance) C4'-P energy: -112.481 bonds (distance) P-C4' energy: -120.818 flat angles C4'-P-C4' energy: -121.263 flat angles P-C4'-P energy: -61.907 tors. eta vs tors. theta energy: -166.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1987.491860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.491860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.491860 (E_RNA) where: Base-Base interactions energy: -1361.142 where: short stacking energy: -572.611 Base-Backbone interact. energy: -2.619 local terms energy: -623.730140 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -112.269 flat angles C4'-P-C4' energy: -137.561 flat angles P-C4'-P energy: -90.041 tors. eta vs tors. theta energy: -164.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1871.530918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.530918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.530918 (E_RNA) where: Base-Base interactions energy: -1246.407 where: short stacking energy: -564.799 Base-Backbone interact. energy: -1.114 local terms energy: -624.010284 where: bonds (distance) C4'-P energy: -117.815 bonds (distance) P-C4' energy: -122.190 flat angles C4'-P-C4' energy: -125.558 flat angles P-C4'-P energy: -86.637 tors. eta vs tors. theta energy: -171.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1697.235147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.235147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.235147 (E_RNA) where: Base-Base interactions energy: -1136.573 where: short stacking energy: -489.931 Base-Backbone interact. energy: -4.707 local terms energy: -555.954404 where: bonds (distance) C4'-P energy: -105.033 bonds (distance) P-C4' energy: -118.934 flat angles C4'-P-C4' energy: -134.959 flat angles P-C4'-P energy: -82.484 tors. eta vs tors. theta energy: -114.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1611.730792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.730792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.730792 (E_RNA) where: Base-Base interactions energy: -1081.512 where: short stacking energy: -463.952 Base-Backbone interact. energy: -2.187 local terms energy: -528.031568 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -107.520 flat angles C4'-P-C4' energy: -114.751 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: -133.859 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: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1211.616777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.616777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.616777 (E_RNA) where: Base-Base interactions energy: -745.370 where: short stacking energy: -345.658 Base-Backbone interact. energy: -1.090 local terms energy: -465.156312 where: bonds (distance) C4'-P energy: -120.654 bonds (distance) P-C4' energy: -116.420 flat angles C4'-P-C4' energy: -94.889 flat angles P-C4'-P energy: -63.003 tors. eta vs tors. theta energy: -70.190 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: 178 Temperature: 1.250000 Total energy: -1017.496361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.496361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.496361 (E_RNA) where: Base-Base interactions energy: -595.439 where: short stacking energy: -318.375 Base-Backbone interact. energy: -0.800 local terms energy: -421.256666 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -110.887 flat angles C4'-P-C4' energy: -105.395 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -44.290 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: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -704.578602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.578602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.578602 (E_RNA) where: Base-Base interactions energy: -342.667 where: short stacking energy: -211.223 Base-Backbone interact. energy: -3.246 local terms energy: -358.665251 where: bonds (distance) C4'-P energy: -97.284 bonds (distance) P-C4' energy: -99.326 flat angles C4'-P-C4' energy: -91.130 flat angles P-C4'-P energy: -59.940 tors. eta vs tors. theta energy: -10.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -551.452880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.452880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.452880 (E_RNA) where: Base-Base interactions energy: -239.120 where: short stacking energy: -133.157 Base-Backbone interact. energy: 1.140 local terms energy: -313.472612 where: bonds (distance) C4'-P energy: -99.474 bonds (distance) P-C4' energy: -100.417 flat angles C4'-P-C4' energy: -88.643 flat angles P-C4'-P energy: -54.989 tors. eta vs tors. theta energy: 30.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2108.657542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.657542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.657542 (E_RNA) where: Base-Base interactions energy: -1451.087 where: short stacking energy: -573.620 Base-Backbone interact. energy: -7.062 local terms energy: -650.507704 where: bonds (distance) C4'-P energy: -121.692 bonds (distance) P-C4' energy: -123.135 flat angles C4'-P-C4' energy: -146.124 flat angles P-C4'-P energy: -99.126 tors. eta vs tors. theta energy: -160.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2034.246968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.246968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.246968 (E_RNA) where: Base-Base interactions energy: -1416.179 where: short stacking energy: -601.191 Base-Backbone interact. energy: -2.944 local terms energy: -615.124467 where: bonds (distance) C4'-P energy: -113.727 bonds (distance) P-C4' energy: -109.371 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -169.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1960.189921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.189921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.189921 (E_RNA) where: Base-Base interactions energy: -1346.235 where: short stacking energy: -574.574 Base-Backbone interact. energy: -5.139 local terms energy: -608.815077 where: bonds (distance) C4'-P energy: -117.751 bonds (distance) P-C4' energy: -116.119 flat angles C4'-P-C4' energy: -131.748 flat angles P-C4'-P energy: -92.365 tors. eta vs tors. theta energy: -150.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1903.755667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.755667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.755667 (E_RNA) where: Base-Base interactions energy: -1258.870 where: short stacking energy: -571.891 Base-Backbone interact. energy: -2.854 local terms energy: -642.032482 where: bonds (distance) C4'-P energy: -119.155 bonds (distance) P-C4' energy: -133.534 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -80.111 tors. eta vs tors. theta energy: -173.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1723.412720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.412720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.412720 (E_RNA) where: Base-Base interactions energy: -1170.916 where: short stacking energy: -501.559 Base-Backbone interact. energy: -0.206 local terms energy: -552.291075 where: bonds (distance) C4'-P energy: -102.359 bonds (distance) P-C4' energy: -115.022 flat angles C4'-P-C4' energy: -116.698 flat angles P-C4'-P energy: -78.122 tors. eta vs tors. theta energy: -140.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1649.629808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.629808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.629808 (E_RNA) where: Base-Base interactions energy: -1102.018 where: short stacking energy: -452.480 Base-Backbone interact. energy: 3.151 local terms energy: -550.762866 where: bonds (distance) C4'-P energy: -119.563 bonds (distance) P-C4' energy: -104.885 flat angles C4'-P-C4' energy: -125.967 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -132.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1169.592995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.592995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.592995 (E_RNA) where: Base-Base interactions energy: -700.265 where: short stacking energy: -344.812 Base-Backbone interact. energy: -1.774 local terms energy: -467.553945 where: bonds (distance) C4'-P energy: -109.098 bonds (distance) P-C4' energy: -121.913 flat angles C4'-P-C4' energy: -112.295 flat angles P-C4'-P energy: -60.275 tors. eta vs tors. theta energy: -63.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1032.447070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.447070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.447070 (E_RNA) where: Base-Base interactions energy: -606.904 where: short stacking energy: -291.240 Base-Backbone interact. energy: 0.906 local terms energy: -426.449028 where: bonds (distance) C4'-P energy: -114.490 bonds (distance) P-C4' energy: -100.780 flat angles C4'-P-C4' energy: -109.513 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -37.349 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -743.793037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.793037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.793037 (E_RNA) where: Base-Base interactions energy: -366.752 where: short stacking energy: -219.576 Base-Backbone interact. energy: 1.999 local terms energy: -379.040058 where: bonds (distance) C4'-P energy: -90.370 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -101.440 flat angles P-C4'-P energy: -58.500 tors. eta vs tors. theta energy: -16.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -540.244899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.244899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.244899 (E_RNA) where: Base-Base interactions energy: -203.725 where: short stacking energy: -152.089 Base-Backbone interact. energy: -1.805 local terms energy: -334.714648 where: bonds (distance) C4'-P energy: -104.652 bonds (distance) P-C4' energy: -117.150 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: 21.448 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: 180 Temperature: 0.900000 Total energy: -2126.003990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.003990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.003990 (E_RNA) where: Base-Base interactions energy: -1444.155 where: short stacking energy: -629.302 Base-Backbone interact. energy: -4.024 local terms energy: -677.824451 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -133.506 flat angles C4'-P-C4' energy: -137.880 flat angles P-C4'-P energy: -92.355 tors. eta vs tors. theta energy: -187.161 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: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2040.533218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.533218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.533218 (E_RNA) where: Base-Base interactions energy: -1388.713 where: short stacking energy: -593.938 Base-Backbone interact. energy: -4.550 local terms energy: -647.270266 where: bonds (distance) C4'-P energy: -102.243 bonds (distance) P-C4' energy: -139.367 flat angles C4'-P-C4' energy: -138.431 flat angles P-C4'-P energy: -105.028 tors. eta vs tors. theta energy: -162.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1938.374890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.374890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.374890 (E_RNA) where: Base-Base interactions energy: -1294.309 where: short stacking energy: -596.566 Base-Backbone interact. energy: 2.569 local terms energy: -646.635138 where: bonds (distance) C4'-P energy: -119.834 bonds (distance) P-C4' energy: -120.017 flat angles C4'-P-C4' energy: -139.833 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -180.042 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: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1831.718062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.718062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.718062 (E_RNA) where: Base-Base interactions energy: -1238.761 where: short stacking energy: -565.247 Base-Backbone interact. energy: -1.146 local terms energy: -591.811562 where: bonds (distance) C4'-P energy: -108.916 bonds (distance) P-C4' energy: -131.719 flat angles C4'-P-C4' energy: -127.885 flat angles P-C4'-P energy: -79.831 tors. eta vs tors. theta energy: -143.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1708.241745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.241745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.241745 (E_RNA) where: Base-Base interactions energy: -1142.778 where: short stacking energy: -499.811 Base-Backbone interact. energy: -0.174 local terms energy: -565.290034 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -125.667 flat angles C4'-P-C4' energy: -123.383 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -135.324 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: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1620.896321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.896321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.896321 (E_RNA) where: Base-Base interactions energy: -1079.951 where: short stacking energy: -455.644 Base-Backbone interact. energy: -1.369 local terms energy: -539.575765 where: bonds (distance) C4'-P energy: -103.000 bonds (distance) P-C4' energy: -103.703 flat angles C4'-P-C4' energy: -122.948 flat angles P-C4'-P energy: -69.809 tors. eta vs tors. theta energy: -140.116 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: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1155.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.334839 (E_RNA) where: Base-Base interactions energy: -689.872 where: short stacking energy: -333.363 Base-Backbone interact. energy: -1.558 local terms energy: -463.905475 where: bonds (distance) C4'-P energy: -116.745 bonds (distance) P-C4' energy: -113.021 flat angles C4'-P-C4' energy: -103.596 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -64.893 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: 180 Temperature: 1.250000 Total energy: -1122.414139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.414139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.414139 (E_RNA) where: Base-Base interactions energy: -666.472 where: short stacking energy: -311.921 Base-Backbone interact. energy: -2.638 local terms energy: -453.304060 where: bonds (distance) C4'-P energy: -109.460 bonds (distance) P-C4' energy: -103.139 flat angles C4'-P-C4' energy: -120.086 flat angles P-C4'-P energy: -69.758 tors. eta vs tors. theta energy: -50.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -714.178732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.178732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.178732 (E_RNA) where: Base-Base interactions energy: -346.071 where: short stacking energy: -199.225 Base-Backbone interact. energy: -1.339 local terms energy: -366.768533 where: bonds (distance) C4'-P energy: -110.075 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -82.316 flat angles P-C4'-P energy: -52.023 tors. eta vs tors. theta energy: -10.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -563.941564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.941564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.941564 (E_RNA) where: Base-Base interactions energy: -249.348 where: short stacking energy: -127.580 Base-Backbone interact. energy: -0.482 local terms energy: -314.111540 where: bonds (distance) C4'-P energy: -96.220 bonds (distance) P-C4' energy: -94.553 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -66.949 tors. eta vs tors. theta energy: 14.752 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: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2081.499349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.499349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.499349 (E_RNA) where: Base-Base interactions energy: -1431.158 where: short stacking energy: -627.946 Base-Backbone interact. energy: -4.280 local terms energy: -646.061004 where: bonds (distance) C4'-P energy: -116.519 bonds (distance) P-C4' energy: -129.992 flat angles C4'-P-C4' energy: -134.965 flat angles P-C4'-P energy: -93.666 tors. eta vs tors. theta energy: -170.918 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: 181 Temperature: 0.950000 Total energy: -2032.073576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.073576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.073576 (E_RNA) where: Base-Base interactions energy: -1386.174 where: short stacking energy: -576.681 Base-Backbone interact. energy: 0.037 local terms energy: -645.936941 where: bonds (distance) C4'-P energy: -126.543 bonds (distance) P-C4' energy: -130.758 flat angles C4'-P-C4' energy: -139.214 flat angles P-C4'-P energy: -82.354 tors. eta vs tors. theta energy: -167.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1932.426920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.426920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.426920 (E_RNA) where: Base-Base interactions energy: -1270.356 where: short stacking energy: -581.049 Base-Backbone interact. energy: -0.991 local terms energy: -661.079264 where: bonds (distance) C4'-P energy: -121.504 bonds (distance) P-C4' energy: -120.430 flat angles C4'-P-C4' energy: -145.106 flat angles P-C4'-P energy: -100.504 tors. eta vs tors. theta energy: -173.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1814.333079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.333079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.333079 (E_RNA) where: Base-Base interactions energy: -1235.528 where: short stacking energy: -525.826 Base-Backbone interact. energy: 3.795 local terms energy: -582.599545 where: bonds (distance) C4'-P energy: -118.314 bonds (distance) P-C4' energy: -129.422 flat angles C4'-P-C4' energy: -126.547 flat angles P-C4'-P energy: -79.932 tors. eta vs tors. theta energy: -128.384 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: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1685.568677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.568677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.568677 (E_RNA) where: Base-Base interactions energy: -1117.185 where: short stacking energy: -510.244 Base-Backbone interact. energy: -0.804 local terms energy: -567.578745 where: bonds (distance) C4'-P energy: -111.414 bonds (distance) P-C4' energy: -121.799 flat angles C4'-P-C4' energy: -118.931 flat angles P-C4'-P energy: -75.670 tors. eta vs tors. theta energy: -139.765 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: 181 Temperature: 1.150000 Total energy: -1594.860190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.860190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.860190 (E_RNA) where: Base-Base interactions energy: -1030.136 where: short stacking energy: -455.758 Base-Backbone interact. energy: -1.709 local terms energy: -563.015105 where: bonds (distance) C4'-P energy: -127.377 bonds (distance) P-C4' energy: -108.864 flat angles C4'-P-C4' energy: -120.851 flat angles P-C4'-P energy: -63.539 tors. eta vs tors. theta energy: -142.384 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: 181 Temperature: 1.200000 Total energy: -1209.221650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.221650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.221650 (E_RNA) where: Base-Base interactions energy: -731.243 where: short stacking energy: -368.977 Base-Backbone interact. energy: 0.039 local terms energy: -478.017743 where: bonds (distance) C4'-P energy: -108.299 bonds (distance) P-C4' energy: -113.406 flat angles C4'-P-C4' energy: -112.490 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -71.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1014.635778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.635778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.635778 (E_RNA) where: Base-Base interactions energy: -578.815 where: short stacking energy: -286.654 Base-Backbone interact. energy: 3.962 local terms energy: -439.782782 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -113.300 flat angles C4'-P-C4' energy: -98.810 flat angles P-C4'-P energy: -69.975 tors. eta vs tors. theta energy: -47.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -778.150097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.150097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.150097 (E_RNA) where: Base-Base interactions energy: -401.346 where: short stacking energy: -210.407 Base-Backbone interact. energy: 3.795 local terms energy: -380.598871 where: bonds (distance) C4'-P energy: -106.710 bonds (distance) P-C4' energy: -107.744 flat angles C4'-P-C4' energy: -94.148 flat angles P-C4'-P energy: -62.977 tors. eta vs tors. theta energy: -9.020 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: 2 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -540.445317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.445317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.445317 (E_RNA) where: Base-Base interactions energy: -183.712 where: short stacking energy: -131.506 Base-Backbone interact. energy: 0.930 local terms energy: -357.663610 where: bonds (distance) C4'-P energy: -88.681 bonds (distance) P-C4' energy: -121.982 flat angles C4'-P-C4' energy: -88.373 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: 14.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2086.406231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.406231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.406231 (E_RNA) where: Base-Base interactions energy: -1433.839 where: short stacking energy: -621.010 Base-Backbone interact. energy: 0.485 local terms energy: -653.053199 where: bonds (distance) C4'-P energy: -110.525 bonds (distance) P-C4' energy: -132.517 flat angles C4'-P-C4' energy: -143.373 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -177.887 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: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2007.199937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.199937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.199937 (E_RNA) where: Base-Base interactions energy: -1372.845 where: short stacking energy: -579.673 Base-Backbone interact. energy: -3.398 local terms energy: -630.957258 where: bonds (distance) C4'-P energy: -123.471 bonds (distance) P-C4' energy: -114.171 flat angles C4'-P-C4' energy: -137.550 flat angles P-C4'-P energy: -87.581 tors. eta vs tors. theta energy: -168.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1917.500821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.500821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.500821 (E_RNA) where: Base-Base interactions energy: -1264.177 where: short stacking energy: -592.650 Base-Backbone interact. energy: -2.092 local terms energy: -651.231783 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -112.653 flat angles C4'-P-C4' energy: -139.376 flat angles P-C4'-P energy: -100.317 tors. eta vs tors. theta energy: -187.460 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: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1809.207001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.207001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.207001 (E_RNA) where: Base-Base interactions energy: -1239.653 where: short stacking energy: -515.246 Base-Backbone interact. energy: -2.117 local terms energy: -567.436886 where: bonds (distance) C4'-P energy: -102.957 bonds (distance) P-C4' energy: -123.719 flat angles C4'-P-C4' energy: -127.637 flat angles P-C4'-P energy: -79.052 tors. eta vs tors. theta energy: -134.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1687.197161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.197161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.197161 (E_RNA) where: Base-Base interactions energy: -1117.859 where: short stacking energy: -496.308 Base-Backbone interact. energy: 3.384 local terms energy: -572.722338 where: bonds (distance) C4'-P energy: -115.232 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -124.507 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -138.380 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1598.656386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.656386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.656386 (E_RNA) where: Base-Base interactions energy: -1046.051 where: short stacking energy: -470.600 Base-Backbone interact. energy: -0.940 local terms energy: -551.664741 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -113.274 flat angles C4'-P-C4' energy: -111.063 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -128.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1195.829610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.829610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.829610 (E_RNA) where: Base-Base interactions energy: -753.581 where: short stacking energy: -382.668 Base-Backbone interact. energy: 0.199 local terms energy: -442.447633 where: bonds (distance) C4'-P energy: -105.974 bonds (distance) P-C4' energy: -100.759 flat angles C4'-P-C4' energy: -107.078 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -66.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -978.200121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.200121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.200121 (E_RNA) where: Base-Base interactions energy: -559.962 where: short stacking energy: -268.266 Base-Backbone interact. energy: 3.561 local terms energy: -421.798987 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -105.180 flat angles C4'-P-C4' energy: -103.187 flat angles P-C4'-P energy: -59.822 tors. eta vs tors. theta energy: -54.377 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: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -785.661925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.661925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.661925 (E_RNA) where: Base-Base interactions energy: -419.483 where: short stacking energy: -266.137 Base-Backbone interact. energy: 0.709 local terms energy: -366.888372 where: bonds (distance) C4'-P energy: -86.280 bonds (distance) P-C4' energy: -87.764 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -69.663 tors. eta vs tors. theta energy: -13.943 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: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -541.957286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.957286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.957286 (E_RNA) where: Base-Base interactions energy: -220.192 where: short stacking energy: -141.632 Base-Backbone interact. energy: -3.401 local terms energy: -318.364177 where: bonds (distance) C4'-P energy: -86.176 bonds (distance) P-C4' energy: -105.505 flat angles C4'-P-C4' energy: -94.256 flat angles P-C4'-P energy: -62.952 tors. eta vs tors. theta energy: 30.526 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: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2067.606143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.606143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.606143 (E_RNA) where: Base-Base interactions energy: -1421.497 where: short stacking energy: -611.736 Base-Backbone interact. energy: -1.950 local terms energy: -644.158987 where: bonds (distance) C4'-P energy: -124.237 bonds (distance) P-C4' energy: -120.275 flat angles C4'-P-C4' energy: -140.289 flat angles P-C4'-P energy: -93.113 tors. eta vs tors. theta energy: -166.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2034.978872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.978872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.978872 (E_RNA) where: Base-Base interactions energy: -1395.418 where: short stacking energy: -588.498 Base-Backbone interact. energy: -8.100 local terms energy: -631.460481 where: bonds (distance) C4'-P energy: -118.551 bonds (distance) P-C4' energy: -120.290 flat angles C4'-P-C4' energy: -136.902 flat angles P-C4'-P energy: -87.374 tors. eta vs tors. theta energy: -168.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1906.798460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.798460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.798460 (E_RNA) where: Base-Base interactions energy: -1285.636 where: short stacking energy: -572.401 Base-Backbone interact. energy: -1.963 local terms energy: -619.199915 where: bonds (distance) C4'-P energy: -111.925 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -130.869 flat angles P-C4'-P energy: -95.000 tors. eta vs tors. theta energy: -161.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1854.814099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.814099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.814099 (E_RNA) where: Base-Base interactions energy: -1292.285 where: short stacking energy: -527.491 Base-Backbone interact. energy: -1.996 local terms energy: -560.533058 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -117.405 flat angles C4'-P-C4' energy: -106.966 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: -147.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1680.887609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.887609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.887609 (E_RNA) where: Base-Base interactions energy: -1111.785 where: short stacking energy: -490.006 Base-Backbone interact. energy: -3.083 local terms energy: -566.019628 where: bonds (distance) C4'-P energy: -109.300 bonds (distance) P-C4' energy: -106.517 flat angles C4'-P-C4' energy: -134.907 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -121.664 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: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1574.701674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.701674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.701674 (E_RNA) where: Base-Base interactions energy: -1042.848 where: short stacking energy: -469.578 Base-Backbone interact. energy: -1.126 local terms energy: -530.727301 where: bonds (distance) C4'-P energy: -115.898 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -117.805 flat angles P-C4'-P energy: -66.477 tors. eta vs tors. theta energy: -138.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1334.062148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.062148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.062148 (E_RNA) where: Base-Base interactions energy: -845.373 where: short stacking energy: -392.894 Base-Backbone interact. energy: 10.525 local terms energy: -499.214468 where: bonds (distance) C4'-P energy: -99.686 bonds (distance) P-C4' energy: -96.408 flat angles C4'-P-C4' energy: -134.239 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -89.711 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: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -949.170133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.170133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.170133 (E_RNA) where: Base-Base interactions energy: -519.062 where: short stacking energy: -242.312 Base-Backbone interact. energy: -1.579 local terms energy: -428.529097 where: bonds (distance) C4'-P energy: -108.300 bonds (distance) P-C4' energy: -112.924 flat angles C4'-P-C4' energy: -115.770 flat angles P-C4'-P energy: -70.948 tors. eta vs tors. theta energy: -20.587 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: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -747.828762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.828762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.828762 (E_RNA) where: Base-Base interactions energy: -390.886 where: short stacking energy: -209.752 Base-Backbone interact. energy: -0.008 local terms energy: -356.934583 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -114.494 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -545.354562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.354562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.354562 (E_RNA) where: Base-Base interactions energy: -230.958 where: short stacking energy: -152.513 Base-Backbone interact. energy: -2.374 local terms energy: -312.022242 where: bonds (distance) C4'-P energy: -104.211 bonds (distance) P-C4' energy: -96.096 flat angles C4'-P-C4' energy: -92.154 flat angles P-C4'-P energy: -49.280 tors. eta vs tors. theta energy: 29.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2078.763295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.763295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.763295 (E_RNA) where: Base-Base interactions energy: -1432.713 where: short stacking energy: -601.417 Base-Backbone interact. energy: -0.836 local terms energy: -645.214207 where: bonds (distance) C4'-P energy: -125.899 bonds (distance) P-C4' energy: -124.377 flat angles C4'-P-C4' energy: -142.379 flat angles P-C4'-P energy: -92.506 tors. eta vs tors. theta energy: -160.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2047.808114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.808114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.808114 (E_RNA) where: Base-Base interactions energy: -1412.765 where: short stacking energy: -585.190 Base-Backbone interact. energy: -6.567 local terms energy: -628.476024 where: bonds (distance) C4'-P energy: -103.398 bonds (distance) P-C4' energy: -117.490 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -100.915 tors. eta vs tors. theta energy: -161.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1921.073241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.073241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.073241 (E_RNA) where: Base-Base interactions energy: -1289.627 where: short stacking energy: -566.850 Base-Backbone interact. energy: -2.639 local terms energy: -628.807854 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -107.659 flat angles C4'-P-C4' energy: -139.382 flat angles P-C4'-P energy: -96.708 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: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1862.804644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.804644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.804644 (E_RNA) where: Base-Base interactions energy: -1270.887 where: short stacking energy: -543.936 Base-Backbone interact. energy: 1.372 local terms energy: -593.289161 where: bonds (distance) C4'-P energy: -111.139 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -128.469 flat angles P-C4'-P energy: -84.497 tors. eta vs tors. theta energy: -145.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1657.829362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.829362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.829362 (E_RNA) where: Base-Base interactions energy: -1116.421 where: short stacking energy: -490.391 Base-Backbone interact. energy: -3.415 local terms energy: -537.993780 where: bonds (distance) C4'-P energy: -98.958 bonds (distance) P-C4' energy: -110.814 flat angles C4'-P-C4' energy: -132.858 flat angles P-C4'-P energy: -81.509 tors. eta vs tors. theta energy: -113.854 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: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1595.941300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.941300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.941300 (E_RNA) where: Base-Base interactions energy: -1048.287 where: short stacking energy: -475.931 Base-Backbone interact. energy: -2.574 local terms energy: -545.080113 where: bonds (distance) C4'-P energy: -124.292 bonds (distance) P-C4' energy: -105.698 flat angles C4'-P-C4' energy: -115.429 flat angles P-C4'-P energy: -73.610 tors. eta vs tors. theta energy: -126.051 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: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1253.012094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.012094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.012094 (E_RNA) where: Base-Base interactions energy: -806.762 where: short stacking energy: -387.523 Base-Backbone interact. energy: -2.800 local terms energy: -443.450355 where: bonds (distance) C4'-P energy: -87.310 bonds (distance) P-C4' energy: -113.645 flat angles C4'-P-C4' energy: -106.749 flat angles P-C4'-P energy: -63.367 tors. eta vs tors. theta energy: -72.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -970.907930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.907930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.907930 (E_RNA) where: Base-Base interactions energy: -539.984 where: short stacking energy: -274.845 Base-Backbone interact. energy: -1.743 local terms energy: -429.181201 where: bonds (distance) C4'-P energy: -108.871 bonds (distance) P-C4' energy: -107.571 flat angles C4'-P-C4' energy: -110.538 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -41.349 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: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -743.486403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.486403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.486403 (E_RNA) where: Base-Base interactions energy: -399.951 where: short stacking energy: -221.586 Base-Backbone interact. energy: -2.473 local terms energy: -341.062279 where: bonds (distance) C4'-P energy: -112.224 bonds (distance) P-C4' energy: -86.335 flat angles C4'-P-C4' energy: -76.125 flat angles P-C4'-P energy: -53.200 tors. eta vs tors. theta energy: -13.178 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: 10, replica: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -497.215775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.215775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.215775 (E_RNA) where: Base-Base interactions energy: -190.838 where: short stacking energy: -142.140 Base-Backbone interact. energy: 2.637 local terms energy: -309.014699 where: bonds (distance) C4'-P energy: -92.438 bonds (distance) P-C4' energy: -97.001 flat angles C4'-P-C4' energy: -83.984 flat angles P-C4'-P energy: -43.177 tors. eta vs tors. theta energy: 7.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2097.664105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.664105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.664105 (E_RNA) where: Base-Base interactions energy: -1426.676 where: short stacking energy: -621.071 Base-Backbone interact. energy: 2.884 local terms energy: -673.871656 where: bonds (distance) C4'-P energy: -119.481 bonds (distance) P-C4' energy: -143.384 flat angles C4'-P-C4' energy: -134.447 flat angles P-C4'-P energy: -96.769 tors. eta vs tors. theta energy: -179.791 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2048.484206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.484206 (E_RNA) where: Base-Base interactions energy: -1410.353 where: short stacking energy: -579.404 Base-Backbone interact. energy: -4.030 local terms energy: -634.101427 where: bonds (distance) C4'-P energy: -113.617 bonds (distance) P-C4' energy: -125.434 flat angles C4'-P-C4' energy: -142.816 flat angles P-C4'-P energy: -91.549 tors. eta vs tors. theta energy: -160.684 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: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1902.792361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.792361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.792361 (E_RNA) where: Base-Base interactions energy: -1269.289 where: short stacking energy: -583.954 Base-Backbone interact. energy: -0.512 local terms energy: -632.991349 where: bonds (distance) C4'-P energy: -132.311 bonds (distance) P-C4' energy: -112.295 flat angles C4'-P-C4' energy: -136.157 flat angles P-C4'-P energy: -79.349 tors. eta vs tors. theta energy: -172.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1847.714783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.714783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.714783 (E_RNA) where: Base-Base interactions energy: -1282.945 where: short stacking energy: -539.654 Base-Backbone interact. energy: -0.458 local terms energy: -564.312091 where: bonds (distance) C4'-P energy: -109.598 bonds (distance) P-C4' energy: -97.739 flat angles C4'-P-C4' energy: -118.107 flat angles P-C4'-P energy: -72.311 tors. eta vs tors. theta energy: -166.558 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: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1759.245341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.245341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.245341 (E_RNA) where: Base-Base interactions energy: -1185.684 where: short stacking energy: -487.023 Base-Backbone interact. energy: -2.970 local terms energy: -570.591430 where: bonds (distance) C4'-P energy: -112.630 bonds (distance) P-C4' energy: -125.537 flat angles C4'-P-C4' energy: -126.456 flat angles P-C4'-P energy: -80.663 tors. eta vs tors. theta energy: -125.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1589.161370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.161370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.161370 (E_RNA) where: Base-Base interactions energy: -1075.235 where: short stacking energy: -485.985 Base-Backbone interact. energy: 0.589 local terms energy: -514.515427 where: bonds (distance) C4'-P energy: -106.460 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -78.888 tors. eta vs tors. theta energy: -104.720 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: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1306.908526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.908526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.908526 (E_RNA) where: Base-Base interactions energy: -820.768 where: short stacking energy: -367.778 Base-Backbone interact. energy: -4.453 local terms energy: -481.687083 where: bonds (distance) C4'-P energy: -104.407 bonds (distance) P-C4' energy: -114.391 flat angles C4'-P-C4' energy: -110.257 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -90.170 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: 185 Temperature: 1.250000 Total energy: -929.359848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.359848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.359848 (E_RNA) where: Base-Base interactions energy: -523.674 where: short stacking energy: -279.194 Base-Backbone interact. energy: -3.393 local terms energy: -402.292824 where: bonds (distance) C4'-P energy: -114.017 bonds (distance) P-C4' energy: -106.504 flat angles C4'-P-C4' energy: -86.998 flat angles P-C4'-P energy: -60.974 tors. eta vs tors. theta energy: -33.799 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: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -736.252658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.252658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.252658 (E_RNA) where: Base-Base interactions energy: -370.506 where: short stacking energy: -200.746 Base-Backbone interact. energy: -2.214 local terms energy: -363.533440 where: bonds (distance) C4'-P energy: -109.073 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -82.799 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: -7.165 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: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -514.230071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.230071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.230071 (E_RNA) where: Base-Base interactions energy: -178.590 where: short stacking energy: -142.253 Base-Backbone interact. energy: 0.537 local terms energy: -336.176552 where: bonds (distance) C4'-P energy: -101.540 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -85.139 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: 21.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2112.796674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.796674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.796674 (E_RNA) where: Base-Base interactions energy: -1440.198 where: short stacking energy: -630.012 Base-Backbone interact. energy: -2.712 local terms energy: -669.886147 where: bonds (distance) C4'-P energy: -125.124 bonds (distance) P-C4' energy: -136.366 flat angles C4'-P-C4' energy: -137.299 flat angles P-C4'-P energy: -91.290 tors. eta vs tors. theta energy: -179.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2039.739088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.739088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.739088 (E_RNA) where: Base-Base interactions energy: -1413.691 where: short stacking energy: -575.991 Base-Backbone interact. energy: -3.016 local terms energy: -623.031465 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -129.654 flat angles C4'-P-C4' energy: -132.214 flat angles P-C4'-P energy: -89.480 tors. eta vs tors. theta energy: -160.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1914.493026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.493026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.493026 (E_RNA) where: Base-Base interactions energy: -1284.227 where: short stacking energy: -571.693 Base-Backbone interact. energy: -1.646 local terms energy: -628.619409 where: bonds (distance) C4'-P energy: -123.062 bonds (distance) P-C4' energy: -112.609 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -84.819 tors. eta vs tors. theta energy: -168.617 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: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1901.853138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.853138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.853138 (E_RNA) where: Base-Base interactions energy: -1292.293 where: short stacking energy: -551.548 Base-Backbone interact. energy: -1.529 local terms energy: -608.030825 where: bonds (distance) C4'-P energy: -112.183 bonds (distance) P-C4' energy: -125.432 flat angles C4'-P-C4' energy: -136.126 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -153.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1739.179014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.179014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.179014 (E_RNA) where: Base-Base interactions energy: -1169.232 where: short stacking energy: -475.342 Base-Backbone interact. energy: 3.046 local terms energy: -572.993435 where: bonds (distance) C4'-P energy: -121.791 bonds (distance) P-C4' energy: -112.905 flat angles C4'-P-C4' energy: -129.325 flat angles P-C4'-P energy: -81.128 tors. eta vs tors. theta energy: -127.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1602.800056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.800056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.800056 (E_RNA) where: Base-Base interactions energy: -1091.726 where: short stacking energy: -500.595 Base-Backbone interact. energy: -2.638 local terms energy: -508.436567 where: bonds (distance) C4'-P energy: -107.151 bonds (distance) P-C4' energy: -97.135 flat angles C4'-P-C4' energy: -102.570 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -124.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1282.558628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.558628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.558628 (E_RNA) where: Base-Base interactions energy: -820.647 where: short stacking energy: -375.877 Base-Backbone interact. energy: 2.712 local terms energy: -464.623375 where: bonds (distance) C4'-P energy: -115.842 bonds (distance) P-C4' energy: -100.739 flat angles C4'-P-C4' energy: -114.699 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -76.574 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: 186 Temperature: 1.250000 Total energy: -1001.267827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.267827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.267827 (E_RNA) where: Base-Base interactions energy: -573.157 where: short stacking energy: -303.525 Base-Backbone interact. energy: -1.720 local terms energy: -426.390175 where: bonds (distance) C4'-P energy: -115.064 bonds (distance) P-C4' energy: -109.460 flat angles C4'-P-C4' energy: -108.712 flat angles P-C4'-P energy: -48.079 tors. eta vs tors. theta energy: -45.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -765.948839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.948839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.948839 (E_RNA) where: Base-Base interactions energy: -381.940 where: short stacking energy: -227.479 Base-Backbone interact. energy: -0.045 local terms energy: -383.964265 where: bonds (distance) C4'-P energy: -100.129 bonds (distance) P-C4' energy: -115.905 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -39.907 tors. eta vs tors. theta energy: -19.638 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: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -509.077096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.077096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.077096 (E_RNA) where: Base-Base interactions energy: -171.424 where: short stacking energy: -131.893 Base-Backbone interact. energy: 0.066 local terms energy: -337.718830 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -88.006 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: 16.399 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: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2091.596457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.596457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.596457 (E_RNA) where: Base-Base interactions energy: -1414.746 where: short stacking energy: -602.260 Base-Backbone interact. energy: -2.716 local terms energy: -674.133840 where: bonds (distance) C4'-P energy: -132.373 bonds (distance) P-C4' energy: -134.753 flat angles C4'-P-C4' energy: -149.635 flat angles P-C4'-P energy: -86.666 tors. eta vs tors. theta energy: -170.707 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: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2071.435950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.435950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.435950 (E_RNA) where: Base-Base interactions energy: -1408.157 where: short stacking energy: -603.638 Base-Backbone interact. energy: -6.140 local terms energy: -657.138443 where: bonds (distance) C4'-P energy: -112.011 bonds (distance) P-C4' energy: -131.982 flat angles C4'-P-C4' energy: -138.984 flat angles P-C4'-P energy: -106.691 tors. eta vs tors. theta energy: -167.471 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1930.703054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.703054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.703054 (E_RNA) where: Base-Base interactions energy: -1288.639 where: short stacking energy: -574.064 Base-Backbone interact. energy: -1.933 local terms energy: -640.130754 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -121.315 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -174.343 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: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1861.134471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.134471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.134471 (E_RNA) where: Base-Base interactions energy: -1289.777 where: short stacking energy: -557.126 Base-Backbone interact. energy: -0.703 local terms energy: -570.654619 where: bonds (distance) C4'-P energy: -95.722 bonds (distance) P-C4' energy: -117.382 flat angles C4'-P-C4' energy: -132.101 flat angles P-C4'-P energy: -81.094 tors. eta vs tors. theta energy: -144.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1763.064819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.064819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.064819 (E_RNA) where: Base-Base interactions energy: -1189.068 where: short stacking energy: -489.043 Base-Backbone interact. energy: -1.542 local terms energy: -572.453984 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -123.079 flat angles C4'-P-C4' energy: -132.443 flat angles P-C4'-P energy: -75.637 tors. eta vs tors. theta energy: -124.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1546.572329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.572329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.572329 (E_RNA) where: Base-Base interactions energy: -1038.283 where: short stacking energy: -451.777 Base-Backbone interact. energy: -2.862 local terms energy: -505.428088 where: bonds (distance) C4'-P energy: -99.026 bonds (distance) P-C4' energy: -119.976 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -114.440 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: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1237.398506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.398506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.398506 (E_RNA) where: Base-Base interactions energy: -744.984 where: short stacking energy: -370.716 Base-Backbone interact. energy: 0.719 local terms energy: -493.134255 where: bonds (distance) C4'-P energy: -102.569 bonds (distance) P-C4' energy: -120.579 flat angles C4'-P-C4' energy: -111.108 flat angles P-C4'-P energy: -64.504 tors. eta vs tors. theta energy: -94.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1002.813777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.813777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.813777 (E_RNA) where: Base-Base interactions energy: -563.443 where: short stacking energy: -295.906 Base-Backbone interact. energy: -0.261 local terms energy: -439.110072 where: bonds (distance) C4'-P energy: -82.769 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -115.634 flat angles P-C4'-P energy: -61.842 tors. eta vs tors. theta energy: -56.551 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: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -763.710205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.710205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.710205 (E_RNA) where: Base-Base interactions energy: -399.949 where: short stacking energy: -226.113 Base-Backbone interact. energy: 0.496 local terms energy: -364.257473 where: bonds (distance) C4'-P energy: -98.413 bonds (distance) P-C4' energy: -92.563 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -54.921 tors. eta vs tors. theta energy: -11.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -513.135950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.135950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.135950 (E_RNA) where: Base-Base interactions energy: -207.568 where: short stacking energy: -137.856 Base-Backbone interact. energy: -1.758 local terms energy: -303.810474 where: bonds (distance) C4'-P energy: -111.701 bonds (distance) P-C4' energy: -103.484 flat angles C4'-P-C4' energy: -84.392 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: 36.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2105.774267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.774267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.774267 (E_RNA) where: Base-Base interactions energy: -1455.756 where: short stacking energy: -591.031 Base-Backbone interact. energy: -4.736 local terms energy: -645.282642 where: bonds (distance) C4'-P energy: -123.168 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -134.290 flat angles P-C4'-P energy: -89.634 tors. eta vs tors. theta energy: -173.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2108.567495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.567495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.567495 (E_RNA) where: Base-Base interactions energy: -1415.039 where: short stacking energy: -604.552 Base-Backbone interact. energy: -4.189 local terms energy: -689.339252 where: bonds (distance) C4'-P energy: -127.543 bonds (distance) P-C4' energy: -128.937 flat angles C4'-P-C4' energy: -152.437 flat angles P-C4'-P energy: -92.570 tors. eta vs tors. theta energy: -187.853 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: 188 Temperature: 1.000000 Total energy: -1948.389078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.389078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.389078 (E_RNA) where: Base-Base interactions energy: -1332.816 where: short stacking energy: -564.510 Base-Backbone interact. energy: -4.606 local terms energy: -610.967136 where: bonds (distance) C4'-P energy: -126.172 bonds (distance) P-C4' energy: -131.134 flat angles C4'-P-C4' energy: -133.762 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -148.469 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: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1875.894477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.894477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.894477 (E_RNA) where: Base-Base interactions energy: -1232.621 where: short stacking energy: -574.413 Base-Backbone interact. energy: -1.216 local terms energy: -642.056935 where: bonds (distance) C4'-P energy: -114.700 bonds (distance) P-C4' energy: -113.848 flat angles C4'-P-C4' energy: -138.147 flat angles P-C4'-P energy: -96.842 tors. eta vs tors. theta energy: -178.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1721.387481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.387481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.387481 (E_RNA) where: Base-Base interactions energy: -1173.145 where: short stacking energy: -486.302 Base-Backbone interact. energy: -0.919 local terms energy: -547.323370 where: bonds (distance) C4'-P energy: -98.751 bonds (distance) P-C4' energy: -111.974 flat angles C4'-P-C4' energy: -124.501 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -123.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1568.686473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.686473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.686473 (E_RNA) where: Base-Base interactions energy: -1040.967 where: short stacking energy: -474.996 Base-Backbone interact. energy: -1.291 local terms energy: -526.428012 where: bonds (distance) C4'-P energy: -101.831 bonds (distance) P-C4' energy: -101.156 flat angles C4'-P-C4' energy: -130.062 flat angles P-C4'-P energy: -77.466 tors. eta vs tors. theta energy: -115.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1189.370052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.370052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.370052 (E_RNA) where: Base-Base interactions energy: -700.255 where: short stacking energy: -347.293 Base-Backbone interact. energy: 3.527 local terms energy: -492.642322 where: bonds (distance) C4'-P energy: -121.848 bonds (distance) P-C4' energy: -111.938 flat angles C4'-P-C4' energy: -112.173 flat angles P-C4'-P energy: -79.623 tors. eta vs tors. theta energy: -67.060 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: 188 Temperature: 1.250000 Total energy: -985.480204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.480204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.480204 (E_RNA) where: Base-Base interactions energy: -539.670 where: short stacking energy: -274.648 Base-Backbone interact. energy: -1.813 local terms energy: -443.996713 where: bonds (distance) C4'-P energy: -115.867 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -119.824 flat angles P-C4'-P energy: -56.323 tors. eta vs tors. theta energy: -39.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -814.106620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.106620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.106620 (E_RNA) where: Base-Base interactions energy: -447.261 where: short stacking energy: -249.291 Base-Backbone interact. energy: -1.027 local terms energy: -365.819006 where: bonds (distance) C4'-P energy: -95.028 bonds (distance) P-C4' energy: -98.991 flat angles C4'-P-C4' energy: -86.932 flat angles P-C4'-P energy: -68.302 tors. eta vs tors. theta energy: -16.565 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: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -505.269320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.269320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.269320 (E_RNA) where: Base-Base interactions energy: -193.441 where: short stacking energy: -172.565 Base-Backbone interact. energy: 0.721 local terms energy: -312.548655 where: bonds (distance) C4'-P energy: -93.566 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -70.371 tors. eta vs tors. theta energy: 23.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2124.918955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.918955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.918955 (E_RNA) where: Base-Base interactions energy: -1460.297 where: short stacking energy: -595.790 Base-Backbone interact. energy: -7.658 local terms energy: -656.964827 where: bonds (distance) C4'-P energy: -127.784 bonds (distance) P-C4' energy: -132.057 flat angles C4'-P-C4' energy: -135.436 flat angles P-C4'-P energy: -95.149 tors. eta vs tors. theta energy: -166.540 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: 189 Temperature: 0.950000 Total energy: -2053.493762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.493762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.493762 (E_RNA) where: Base-Base interactions energy: -1411.605 where: short stacking energy: -597.236 Base-Backbone interact. energy: -3.558 local terms energy: -638.331192 where: bonds (distance) C4'-P energy: -127.797 bonds (distance) P-C4' energy: -111.662 flat angles C4'-P-C4' energy: -129.299 flat angles P-C4'-P energy: -89.887 tors. eta vs tors. theta energy: -179.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1982.692153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.692153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.692153 (E_RNA) where: Base-Base interactions energy: -1366.175 where: short stacking energy: -576.464 Base-Backbone interact. energy: -4.734 local terms energy: -611.783256 where: bonds (distance) C4'-P energy: -108.690 bonds (distance) P-C4' energy: -118.709 flat angles C4'-P-C4' energy: -127.445 flat angles P-C4'-P energy: -94.993 tors. eta vs tors. theta energy: -161.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1876.912325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.912325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.912325 (E_RNA) where: Base-Base interactions energy: -1255.805 where: short stacking energy: -568.955 Base-Backbone interact. energy: -3.042 local terms energy: -618.064932 where: bonds (distance) C4'-P energy: -116.032 bonds (distance) P-C4' energy: -120.762 flat angles C4'-P-C4' energy: -134.046 flat angles P-C4'-P energy: -72.962 tors. eta vs tors. theta energy: -174.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1745.365147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.365147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.365147 (E_RNA) where: Base-Base interactions energy: -1189.060 where: short stacking energy: -502.921 Base-Backbone interact. energy: -3.041 local terms energy: -553.264779 where: bonds (distance) C4'-P energy: -104.223 bonds (distance) P-C4' energy: -132.552 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -122.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1594.175392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.175392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.175392 (E_RNA) where: Base-Base interactions energy: -1060.813 where: short stacking energy: -472.878 Base-Backbone interact. energy: -2.891 local terms energy: -530.471423 where: bonds (distance) C4'-P energy: -99.538 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -124.906 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: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1129.448919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.448919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.448919 (E_RNA) where: Base-Base interactions energy: -682.685 where: short stacking energy: -310.252 Base-Backbone interact. energy: -0.691 local terms energy: -446.072697 where: bonds (distance) C4'-P energy: -111.791 bonds (distance) P-C4' energy: -122.243 flat angles C4'-P-C4' energy: -91.416 flat angles P-C4'-P energy: -63.919 tors. eta vs tors. theta energy: -56.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1034.361857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.361857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.361857 (E_RNA) where: Base-Base interactions energy: -605.994 where: short stacking energy: -305.942 Base-Backbone interact. energy: -3.189 local terms energy: -425.178647 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -100.767 flat angles C4'-P-C4' energy: -116.631 flat angles P-C4'-P energy: -69.681 tors. eta vs tors. theta energy: -46.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -798.408248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.408248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.408248 (E_RNA) where: Base-Base interactions energy: -437.856 where: short stacking energy: -240.227 Base-Backbone interact. energy: -4.142 local terms energy: -356.410467 where: bonds (distance) C4'-P energy: -99.375 bonds (distance) P-C4' energy: -122.122 flat angles C4'-P-C4' energy: -90.730 flat angles P-C4'-P energy: -42.767 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -466.989301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.989301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.989301 (E_RNA) where: Base-Base interactions energy: -162.741 where: short stacking energy: -124.165 Base-Backbone interact. energy: -2.619 local terms energy: -301.629950 where: bonds (distance) C4'-P energy: -83.546 bonds (distance) P-C4' energy: -110.484 flat angles C4'-P-C4' energy: -82.479 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: 16.236 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2103.963789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.963789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.963789 (E_RNA) where: Base-Base interactions energy: -1465.356 where: short stacking energy: -595.058 Base-Backbone interact. energy: -8.928 local terms energy: -629.679760 where: bonds (distance) C4'-P energy: -112.962 bonds (distance) P-C4' energy: -130.330 flat angles C4'-P-C4' energy: -130.153 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -165.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2088.190181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.190181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.190181 (E_RNA) where: Base-Base interactions energy: -1447.837 where: short stacking energy: -597.749 Base-Backbone interact. energy: -2.815 local terms energy: -637.538964 where: bonds (distance) C4'-P energy: -110.726 bonds (distance) P-C4' energy: -123.401 flat angles C4'-P-C4' energy: -139.255 flat angles P-C4'-P energy: -86.329 tors. eta vs tors. theta energy: -177.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2001.625167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.625167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.625167 (E_RNA) where: Base-Base interactions energy: -1386.504 where: short stacking energy: -584.561 Base-Backbone interact. energy: -3.692 local terms energy: -611.428936 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -115.127 flat angles C4'-P-C4' energy: -136.843 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -169.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1887.757491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.757491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.757491 (E_RNA) where: Base-Base interactions energy: -1257.381 where: short stacking energy: -564.864 Base-Backbone interact. energy: -1.790 local terms energy: -628.586288 where: bonds (distance) C4'-P energy: -119.511 bonds (distance) P-C4' energy: -121.393 flat angles C4'-P-C4' energy: -132.880 flat angles P-C4'-P energy: -87.931 tors. eta vs tors. theta energy: -166.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1722.271108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.271108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.271108 (E_RNA) where: Base-Base interactions energy: -1194.994 where: short stacking energy: -510.474 Base-Backbone interact. energy: -0.684 local terms energy: -526.592743 where: bonds (distance) C4'-P energy: -98.261 bonds (distance) P-C4' energy: -105.306 flat angles C4'-P-C4' energy: -113.704 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -133.447 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: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1598.580759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.580759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.580759 (E_RNA) where: Base-Base interactions energy: -1056.902 where: short stacking energy: -459.459 Base-Backbone interact. energy: 1.103 local terms energy: -542.782128 where: bonds (distance) C4'-P energy: -96.251 bonds (distance) P-C4' energy: -99.598 flat angles C4'-P-C4' energy: -124.486 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -132.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1175.508561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.508561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.508561 (E_RNA) where: Base-Base interactions energy: -684.673 where: short stacking energy: -335.451 Base-Backbone interact. energy: -0.505 local terms energy: -490.330793 where: bonds (distance) C4'-P energy: -112.381 bonds (distance) P-C4' energy: -122.884 flat angles C4'-P-C4' energy: -106.824 flat angles P-C4'-P energy: -77.401 tors. eta vs tors. theta energy: -70.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -980.582419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.582419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.582419 (E_RNA) where: Base-Base interactions energy: -562.364 where: short stacking energy: -272.015 Base-Backbone interact. energy: -1.943 local terms energy: -416.275169 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -103.023 flat angles C4'-P-C4' energy: -88.695 flat angles P-C4'-P energy: -60.824 tors. eta vs tors. theta energy: -50.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -771.520527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.520527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.520527 (E_RNA) where: Base-Base interactions energy: -391.680 where: short stacking energy: -217.229 Base-Backbone interact. energy: -2.723 local terms energy: -377.117850 where: bonds (distance) C4'-P energy: -104.680 bonds (distance) P-C4' energy: -125.457 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -41.046 tors. eta vs tors. theta energy: -15.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -503.690792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.690792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.690792 (E_RNA) where: Base-Base interactions energy: -190.884 where: short stacking energy: -130.119 Base-Backbone interact. energy: 1.804 local terms energy: -314.611170 where: bonds (distance) C4'-P energy: -97.521 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -88.636 flat angles P-C4'-P energy: -35.291 tors. eta vs tors. theta energy: 16.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2089.103470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.103470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.103470 (E_RNA) where: Base-Base interactions energy: -1428.357 where: short stacking energy: -597.007 Base-Backbone interact. energy: 0.558 local terms energy: -661.304498 where: bonds (distance) C4'-P energy: -128.366 bonds (distance) P-C4' energy: -129.996 flat angles C4'-P-C4' energy: -141.937 flat angles P-C4'-P energy: -84.103 tors. eta vs tors. theta energy: -176.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2065.599011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.599011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.599011 (E_RNA) where: Base-Base interactions energy: -1438.658 where: short stacking energy: -606.251 Base-Backbone interact. energy: 0.020 local terms energy: -626.961262 where: bonds (distance) C4'-P energy: -108.184 bonds (distance) P-C4' energy: -110.388 flat angles C4'-P-C4' energy: -141.087 flat angles P-C4'-P energy: -86.724 tors. eta vs tors. theta energy: -180.579 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: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1970.537894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.537894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.537894 (E_RNA) where: Base-Base interactions energy: -1363.708 where: short stacking energy: -562.016 Base-Backbone interact. energy: -1.297 local terms energy: -605.533466 where: bonds (distance) C4'-P energy: -110.189 bonds (distance) P-C4' energy: -127.017 flat angles C4'-P-C4' energy: -137.817 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -150.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1874.152920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.152920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.152920 (E_RNA) where: Base-Base interactions energy: -1276.187 where: short stacking energy: -583.028 Base-Backbone interact. energy: -0.056 local terms energy: -597.910514 where: bonds (distance) C4'-P energy: -111.920 bonds (distance) P-C4' energy: -112.096 flat angles C4'-P-C4' energy: -130.899 flat angles P-C4'-P energy: -83.575 tors. eta vs tors. theta energy: -159.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1662.633305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.633305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.633305 (E_RNA) where: Base-Base interactions energy: -1104.568 where: short stacking energy: -479.224 Base-Backbone interact. energy: -2.327 local terms energy: -555.738240 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -115.381 flat angles C4'-P-C4' energy: -122.297 flat angles P-C4'-P energy: -77.406 tors. eta vs tors. theta energy: -140.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1634.009794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.009794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.009794 (E_RNA) where: Base-Base interactions energy: -1100.373 where: short stacking energy: -472.778 Base-Backbone interact. energy: -1.459 local terms energy: -532.177632 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -113.069 flat angles C4'-P-C4' energy: -123.428 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -124.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1211.530020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.530020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.530020 (E_RNA) where: Base-Base interactions energy: -764.661 where: short stacking energy: -344.538 Base-Backbone interact. energy: 6.170 local terms energy: -453.039725 where: bonds (distance) C4'-P energy: -120.833 bonds (distance) P-C4' energy: -120.652 flat angles C4'-P-C4' energy: -99.493 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -58.440 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: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -963.895432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.895432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.895432 (E_RNA) where: Base-Base interactions energy: -547.192 where: short stacking energy: -282.517 Base-Backbone interact. energy: -2.000 local terms energy: -414.703682 where: bonds (distance) C4'-P energy: -117.274 bonds (distance) P-C4' energy: -112.556 flat angles C4'-P-C4' energy: -77.722 flat angles P-C4'-P energy: -79.590 tors. eta vs tors. theta energy: -27.562 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: 6 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -804.137264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.137264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.137264 (E_RNA) where: Base-Base interactions energy: -425.257 where: short stacking energy: -242.905 Base-Backbone interact. energy: 0.269 local terms energy: -379.149650 where: bonds (distance) C4'-P energy: -112.647 bonds (distance) P-C4' energy: -103.450 flat angles C4'-P-C4' energy: -87.955 flat angles P-C4'-P energy: -65.556 tors. eta vs tors. theta energy: -9.541 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: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -487.189186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.189186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.189186 (E_RNA) where: Base-Base interactions energy: -154.381 where: short stacking energy: -130.416 Base-Backbone interact. energy: -1.837 local terms energy: -330.970529 where: bonds (distance) C4'-P energy: -105.061 bonds (distance) P-C4' energy: -118.944 flat angles C4'-P-C4' energy: -91.714 flat angles P-C4'-P energy: -46.167 tors. eta vs tors. theta energy: 30.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2140.289256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.289256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.289256 (E_RNA) where: Base-Base interactions energy: -1460.985 where: short stacking energy: -639.343 Base-Backbone interact. energy: -0.625 local terms energy: -678.679806 where: bonds (distance) C4'-P energy: -128.733 bonds (distance) P-C4' energy: -126.664 flat angles C4'-P-C4' energy: -145.582 flat angles P-C4'-P energy: -88.527 tors. eta vs tors. theta energy: -189.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2048.145408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.145408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.145408 (E_RNA) where: Base-Base interactions energy: -1402.841 where: short stacking energy: -567.170 Base-Backbone interact. energy: -4.666 local terms energy: -640.638389 where: bonds (distance) C4'-P energy: -132.441 bonds (distance) P-C4' energy: -129.175 flat angles C4'-P-C4' energy: -134.143 flat angles P-C4'-P energy: -84.910 tors. eta vs tors. theta energy: -159.969 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: 192 Temperature: 1.000000 Total energy: -1991.090392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.090392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.090392 (E_RNA) where: Base-Base interactions energy: -1370.326 where: short stacking energy: -573.605 Base-Backbone interact. energy: -0.191 local terms energy: -620.574140 where: bonds (distance) C4'-P energy: -109.813 bonds (distance) P-C4' energy: -123.877 flat angles C4'-P-C4' energy: -136.150 flat angles P-C4'-P energy: -97.455 tors. eta vs tors. theta energy: -153.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1858.594409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.594409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.594409 (E_RNA) where: Base-Base interactions energy: -1223.391 where: short stacking energy: -542.678 Base-Backbone interact. energy: 2.000 local terms energy: -637.203546 where: bonds (distance) C4'-P energy: -116.915 bonds (distance) P-C4' energy: -130.726 flat angles C4'-P-C4' energy: -131.691 flat angles P-C4'-P energy: -97.085 tors. eta vs tors. theta energy: -160.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1729.686739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.686739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.686739 (E_RNA) where: Base-Base interactions energy: -1162.871 where: short stacking energy: -531.650 Base-Backbone interact. energy: -0.544 local terms energy: -566.271873 where: bonds (distance) C4'-P energy: -104.296 bonds (distance) P-C4' energy: -109.044 flat angles C4'-P-C4' energy: -123.327 flat angles P-C4'-P energy: -77.051 tors. eta vs tors. theta energy: -152.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1578.208104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.208104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.208104 (E_RNA) where: Base-Base interactions energy: -1025.380 where: short stacking energy: -459.658 Base-Backbone interact. energy: -2.999 local terms energy: -549.828965 where: bonds (distance) C4'-P energy: -112.767 bonds (distance) P-C4' energy: -106.796 flat angles C4'-P-C4' energy: -127.715 flat angles P-C4'-P energy: -71.411 tors. eta vs tors. theta energy: -131.139 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: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1253.477772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.477772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.477772 (E_RNA) where: Base-Base interactions energy: -771.192 where: short stacking energy: -352.141 Base-Backbone interact. energy: -1.436 local terms energy: -480.850502 where: bonds (distance) C4'-P energy: -96.508 bonds (distance) P-C4' energy: -102.648 flat angles C4'-P-C4' energy: -120.869 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -72.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1004.138525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.138525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.138525 (E_RNA) where: Base-Base interactions energy: -585.538 where: short stacking energy: -298.138 Base-Backbone interact. energy: -1.827 local terms energy: -416.772661 where: bonds (distance) C4'-P energy: -107.688 bonds (distance) P-C4' energy: -125.788 flat angles C4'-P-C4' energy: -90.111 flat angles P-C4'-P energy: -59.032 tors. eta vs tors. theta energy: -34.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -789.718794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.718794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.718794 (E_RNA) where: Base-Base interactions energy: -413.423 where: short stacking energy: -212.086 Base-Backbone interact. energy: -1.416 local terms energy: -374.879049 where: bonds (distance) C4'-P energy: -101.951 bonds (distance) P-C4' energy: -112.413 flat angles C4'-P-C4' energy: -89.717 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: -10.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -469.026245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.026245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.026245 (E_RNA) where: Base-Base interactions energy: -149.860 where: short stacking energy: -127.676 Base-Backbone interact. energy: 3.760 local terms energy: -322.926054 where: bonds (distance) C4'-P energy: -106.252 bonds (distance) P-C4' energy: -123.927 flat angles C4'-P-C4' energy: -89.160 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: 32.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2090.193522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.193522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.193522 (E_RNA) where: Base-Base interactions energy: -1453.634 where: short stacking energy: -602.148 Base-Backbone interact. energy: -2.334 local terms energy: -634.225320 where: bonds (distance) C4'-P energy: -108.959 bonds (distance) P-C4' energy: -122.761 flat angles C4'-P-C4' energy: -139.359 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -173.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2035.159042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.159042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.159042 (E_RNA) where: Base-Base interactions energy: -1406.263 where: short stacking energy: -570.750 Base-Backbone interact. energy: 0.174 local terms energy: -629.070242 where: bonds (distance) C4'-P energy: -124.275 bonds (distance) P-C4' energy: -108.296 flat angles C4'-P-C4' energy: -130.959 flat angles P-C4'-P energy: -89.642 tors. eta vs tors. theta energy: -175.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1961.560055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.560055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.560055 (E_RNA) where: Base-Base interactions energy: -1336.840 where: short stacking energy: -555.901 Base-Backbone interact. energy: -3.810 local terms energy: -620.909483 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -127.177 flat angles C4'-P-C4' energy: -133.756 flat angles P-C4'-P energy: -86.961 tors. eta vs tors. theta energy: -147.087 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: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1865.778005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.778005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.778005 (E_RNA) where: Base-Base interactions energy: -1254.108 where: short stacking energy: -572.079 Base-Backbone interact. energy: 4.078 local terms energy: -615.748289 where: bonds (distance) C4'-P energy: -121.462 bonds (distance) P-C4' energy: -111.067 flat angles C4'-P-C4' energy: -130.405 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -161.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1703.964465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.964465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.964465 (E_RNA) where: Base-Base interactions energy: -1117.428 where: short stacking energy: -511.904 Base-Backbone interact. energy: -1.417 local terms energy: -585.120127 where: bonds (distance) C4'-P energy: -124.011 bonds (distance) P-C4' energy: -121.503 flat angles C4'-P-C4' energy: -115.098 flat angles P-C4'-P energy: -84.913 tors. eta vs tors. theta energy: -139.594 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: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1630.588110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.588110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.588110 (E_RNA) where: Base-Base interactions energy: -1064.793 where: short stacking energy: -455.837 Base-Backbone interact. energy: -0.372 local terms energy: -565.422847 where: bonds (distance) C4'-P energy: -103.206 bonds (distance) P-C4' energy: -133.549 flat angles C4'-P-C4' energy: -131.369 flat angles P-C4'-P energy: -82.261 tors. eta vs tors. theta energy: -115.038 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: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1270.167562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.167562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.167562 (E_RNA) where: Base-Base interactions energy: -818.326 where: short stacking energy: -369.344 Base-Backbone interact. energy: 2.106 local terms energy: -453.947341 where: bonds (distance) C4'-P energy: -102.939 bonds (distance) P-C4' energy: -113.956 flat angles C4'-P-C4' energy: -106.139 flat angles P-C4'-P energy: -72.027 tors. eta vs tors. theta energy: -58.887 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: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -975.301093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.301093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.301093 (E_RNA) where: Base-Base interactions energy: -581.728 where: short stacking energy: -307.036 Base-Backbone interact. energy: -2.983 local terms energy: -390.590344 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -104.366 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -37.605 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: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -708.928825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.928825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.928825 (E_RNA) where: Base-Base interactions energy: -333.933 where: short stacking energy: -183.828 Base-Backbone interact. energy: 2.306 local terms energy: -377.302171 where: bonds (distance) C4'-P energy: -114.941 bonds (distance) P-C4' energy: -118.063 flat angles C4'-P-C4' energy: -82.835 flat angles P-C4'-P energy: -67.867 tors. eta vs tors. theta energy: 6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -490.155976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.155976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.155976 (E_RNA) where: Base-Base interactions energy: -160.097 where: short stacking energy: -132.924 Base-Backbone interact. energy: 2.101 local terms energy: -332.160292 where: bonds (distance) C4'-P energy: -109.977 bonds (distance) P-C4' energy: -120.037 flat angles C4'-P-C4' energy: -85.677 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: 22.468 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: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2098.984737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.984737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.984737 (E_RNA) where: Base-Base interactions energy: -1435.786 where: short stacking energy: -587.889 Base-Backbone interact. energy: -6.647 local terms energy: -656.551009 where: bonds (distance) C4'-P energy: -132.606 bonds (distance) P-C4' energy: -133.411 flat angles C4'-P-C4' energy: -130.992 flat angles P-C4'-P energy: -85.154 tors. eta vs tors. theta energy: -174.388 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2050.639514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.639514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.639514 (E_RNA) where: Base-Base interactions energy: -1390.049 where: short stacking energy: -602.664 Base-Backbone interact. energy: -1.742 local terms energy: -658.848052 where: bonds (distance) C4'-P energy: -139.717 bonds (distance) P-C4' energy: -116.071 flat angles C4'-P-C4' energy: -135.062 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -179.141 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: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1958.024367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.024367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.024367 (E_RNA) where: Base-Base interactions energy: -1361.255 where: short stacking energy: -566.408 Base-Backbone interact. energy: -5.688 local terms energy: -591.081649 where: bonds (distance) C4'-P energy: -111.956 bonds (distance) P-C4' energy: -122.505 flat angles C4'-P-C4' energy: -132.310 flat angles P-C4'-P energy: -71.524 tors. eta vs tors. theta energy: -152.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1856.286659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.286659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.286659 (E_RNA) where: Base-Base interactions energy: -1222.183 where: short stacking energy: -577.526 Base-Backbone interact. energy: -0.462 local terms energy: -633.641606 where: bonds (distance) C4'-P energy: -104.832 bonds (distance) P-C4' energy: -129.572 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -172.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1748.583012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.583012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.583012 (E_RNA) where: Base-Base interactions energy: -1167.212 where: short stacking energy: -530.682 Base-Backbone interact. energy: 5.237 local terms energy: -586.608111 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -112.223 flat angles C4'-P-C4' energy: -131.794 flat angles P-C4'-P energy: -82.511 tors. eta vs tors. theta energy: -147.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1578.772095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.772095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.772095 (E_RNA) where: Base-Base interactions energy: -1064.414 where: short stacking energy: -440.587 Base-Backbone interact. energy: -2.098 local terms energy: -512.260891 where: bonds (distance) C4'-P energy: -106.817 bonds (distance) P-C4' energy: -118.031 flat angles C4'-P-C4' energy: -106.823 flat angles P-C4'-P energy: -80.570 tors. eta vs tors. theta energy: -100.021 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: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1213.602512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.602512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.602512 (E_RNA) where: Base-Base interactions energy: -750.675 where: short stacking energy: -355.686 Base-Backbone interact. energy: 7.756 local terms energy: -470.683173 where: bonds (distance) C4'-P energy: -112.533 bonds (distance) P-C4' energy: -107.146 flat angles C4'-P-C4' energy: -114.574 flat angles P-C4'-P energy: -69.134 tors. eta vs tors. theta energy: -67.296 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: 194 Temperature: 1.250000 Total energy: -976.498801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.498801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.498801 (E_RNA) where: Base-Base interactions energy: -560.364 where: short stacking energy: -283.174 Base-Backbone interact. energy: 0.773 local terms energy: -416.907225 where: bonds (distance) C4'-P energy: -109.332 bonds (distance) P-C4' energy: -115.260 flat angles C4'-P-C4' energy: -83.668 flat angles P-C4'-P energy: -67.557 tors. eta vs tors. theta energy: -41.090 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: 6 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -738.035315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.035315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.035315 (E_RNA) where: Base-Base interactions energy: -364.891 where: short stacking energy: -203.290 Base-Backbone interact. energy: 1.377 local terms energy: -374.520898 where: bonds (distance) C4'-P energy: -113.674 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -88.082 flat angles P-C4'-P energy: -61.770 tors. eta vs tors. theta energy: 11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -492.768070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.768070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.768070 (E_RNA) where: Base-Base interactions energy: -163.965 where: short stacking energy: -138.351 Base-Backbone interact. energy: 5.198 local terms energy: -334.001069 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -108.643 flat angles C4'-P-C4' energy: -105.677 flat angles P-C4'-P energy: -31.275 tors. eta vs tors. theta energy: 13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2130.522166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.522166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.522166 (E_RNA) where: Base-Base interactions energy: -1480.130 where: short stacking energy: -604.725 Base-Backbone interact. energy: 1.592 local terms energy: -651.983751 where: bonds (distance) C4'-P energy: -115.211 bonds (distance) P-C4' energy: -122.841 flat angles C4'-P-C4' energy: -137.766 flat angles P-C4'-P energy: -95.056 tors. eta vs tors. theta energy: -181.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2052.423447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.423447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.423447 (E_RNA) where: Base-Base interactions energy: -1394.765 where: short stacking energy: -622.979 Base-Backbone interact. energy: -0.056 local terms energy: -657.601851 where: bonds (distance) C4'-P energy: -118.003 bonds (distance) P-C4' energy: -134.961 flat angles C4'-P-C4' energy: -143.691 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -190.088 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: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1944.267552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.267552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.267552 (E_RNA) where: Base-Base interactions energy: -1325.629 where: short stacking energy: -538.709 Base-Backbone interact. energy: -5.071 local terms energy: -613.566821 where: bonds (distance) C4'-P energy: -118.784 bonds (distance) P-C4' energy: -126.914 flat angles C4'-P-C4' energy: -134.275 flat angles P-C4'-P energy: -90.389 tors. eta vs tors. theta energy: -143.206 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1854.924726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.924726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.924726 (E_RNA) where: Base-Base interactions energy: -1218.039 where: short stacking energy: -530.501 Base-Backbone interact. energy: -3.046 local terms energy: -633.839799 where: bonds (distance) C4'-P energy: -128.288 bonds (distance) P-C4' energy: -112.576 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -90.859 tors. eta vs tors. theta energy: -164.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1702.137602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.137602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.137602 (E_RNA) where: Base-Base interactions energy: -1151.751 where: short stacking energy: -510.598 Base-Backbone interact. energy: 2.216 local terms energy: -552.602402 where: bonds (distance) C4'-P energy: -103.367 bonds (distance) P-C4' energy: -108.069 flat angles C4'-P-C4' energy: -126.882 flat angles P-C4'-P energy: -78.333 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: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1596.604678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.604678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.604678 (E_RNA) where: Base-Base interactions energy: -1076.626 where: short stacking energy: -449.568 Base-Backbone interact. energy: 1.160 local terms energy: -521.138566 where: bonds (distance) C4'-P energy: -115.357 bonds (distance) P-C4' energy: -110.299 flat angles C4'-P-C4' energy: -119.686 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -112.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1170.848620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.848620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.848620 (E_RNA) where: Base-Base interactions energy: -697.958 where: short stacking energy: -321.033 Base-Backbone interact. energy: 0.297 local terms energy: -473.188170 where: bonds (distance) C4'-P energy: -121.436 bonds (distance) P-C4' energy: -103.796 flat angles C4'-P-C4' energy: -113.227 flat angles P-C4'-P energy: -64.417 tors. eta vs tors. theta energy: -70.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -984.666790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.666790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.666790 (E_RNA) where: Base-Base interactions energy: -550.199 where: short stacking energy: -294.986 Base-Backbone interact. energy: -3.279 local terms energy: -431.188987 where: bonds (distance) C4'-P energy: -100.348 bonds (distance) P-C4' energy: -112.652 flat angles C4'-P-C4' energy: -115.666 flat angles P-C4'-P energy: -72.508 tors. eta vs tors. theta energy: -30.014 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: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -736.988222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.988222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.988222 (E_RNA) where: Base-Base interactions energy: -372.739 where: short stacking energy: -183.164 Base-Backbone interact. energy: -0.028 local terms energy: -364.221777 where: bonds (distance) C4'-P energy: -96.308 bonds (distance) P-C4' energy: -121.412 flat angles C4'-P-C4' energy: -102.264 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: 7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -509.014673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.014673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.014673 (E_RNA) where: Base-Base interactions energy: -185.643 where: short stacking energy: -162.452 Base-Backbone interact. energy: -2.068 local terms energy: -321.303235 where: bonds (distance) C4'-P energy: -98.669 bonds (distance) P-C4' energy: -105.340 flat angles C4'-P-C4' energy: -86.768 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: 14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2105.785743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.785743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.785743 (E_RNA) where: Base-Base interactions energy: -1439.623 where: short stacking energy: -620.135 Base-Backbone interact. energy: -4.511 local terms energy: -661.652445 where: bonds (distance) C4'-P energy: -118.253 bonds (distance) P-C4' energy: -123.903 flat angles C4'-P-C4' energy: -144.013 flat angles P-C4'-P energy: -88.395 tors. eta vs tors. theta energy: -187.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2052.628214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.628214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.628214 (E_RNA) where: Base-Base interactions energy: -1418.971 where: short stacking energy: -615.520 Base-Backbone interact. energy: -2.024 local terms energy: -631.633534 where: bonds (distance) C4'-P energy: -114.861 bonds (distance) P-C4' energy: -125.188 flat angles C4'-P-C4' energy: -128.344 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -174.103 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: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1935.086050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.086050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.086050 (E_RNA) where: Base-Base interactions energy: -1335.320 where: short stacking energy: -561.748 Base-Backbone interact. energy: 1.647 local terms energy: -601.412522 where: bonds (distance) C4'-P energy: -112.709 bonds (distance) P-C4' energy: -119.225 flat angles C4'-P-C4' energy: -124.245 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -151.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1885.822492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.822492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.822492 (E_RNA) where: Base-Base interactions energy: -1259.262 where: short stacking energy: -562.767 Base-Backbone interact. energy: -1.877 local terms energy: -624.683902 where: bonds (distance) C4'-P energy: -113.553 bonds (distance) P-C4' energy: -121.827 flat angles C4'-P-C4' energy: -130.700 flat angles P-C4'-P energy: -84.794 tors. eta vs tors. theta energy: -173.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1701.079049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.079049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.079049 (E_RNA) where: Base-Base interactions energy: -1147.126 where: short stacking energy: -507.391 Base-Backbone interact. energy: -1.725 local terms energy: -552.227961 where: bonds (distance) C4'-P energy: -115.031 bonds (distance) P-C4' energy: -109.040 flat angles C4'-P-C4' energy: -126.278 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: -128.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1581.031355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.031355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.031355 (E_RNA) where: Base-Base interactions energy: -1011.952 where: short stacking energy: -452.455 Base-Backbone interact. energy: -1.998 local terms energy: -567.081400 where: bonds (distance) C4'-P energy: -117.180 bonds (distance) P-C4' energy: -123.078 flat angles C4'-P-C4' energy: -117.486 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -128.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1221.359571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.359571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.359571 (E_RNA) where: Base-Base interactions energy: -762.751 where: short stacking energy: -365.096 Base-Backbone interact. energy: 0.092 local terms energy: -458.700418 where: bonds (distance) C4'-P energy: -104.842 bonds (distance) P-C4' energy: -112.984 flat angles C4'-P-C4' energy: -106.760 flat angles P-C4'-P energy: -63.025 tors. eta vs tors. theta energy: -71.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -909.066193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.066193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.066193 (E_RNA) where: Base-Base interactions energy: -527.658 where: short stacking energy: -277.685 Base-Backbone interact. energy: 0.768 local terms energy: -382.176155 where: bonds (distance) C4'-P energy: -94.867 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -91.415 flat angles P-C4'-P energy: -65.586 tors. eta vs tors. theta energy: -28.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -712.341619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.341619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.341619 (E_RNA) where: Base-Base interactions energy: -357.651 where: short stacking energy: -209.038 Base-Backbone interact. energy: 1.678 local terms energy: -356.367938 where: bonds (distance) C4'-P energy: -93.809 bonds (distance) P-C4' energy: -99.399 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -64.126 tors. eta vs tors. theta energy: 7.227 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: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -487.360468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.360468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.360468 (E_RNA) where: Base-Base interactions energy: -176.947 where: short stacking energy: -124.735 Base-Backbone interact. energy: 9.258 local terms energy: -319.671524 where: bonds (distance) C4'-P energy: -88.266 bonds (distance) P-C4' energy: -115.793 flat angles C4'-P-C4' energy: -94.563 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: 33.061 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: 197 Temperature: 0.900000 Total energy: -2096.375713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.375713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.375713 (E_RNA) where: Base-Base interactions energy: -1444.504 where: short stacking energy: -586.084 Base-Backbone interact. energy: -3.093 local terms energy: -648.779214 where: bonds (distance) C4'-P energy: -115.592 bonds (distance) P-C4' energy: -136.122 flat angles C4'-P-C4' energy: -145.446 flat angles P-C4'-P energy: -83.444 tors. eta vs tors. theta energy: -168.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2073.357305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.357305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.357305 (E_RNA) where: Base-Base interactions energy: -1402.335 where: short stacking energy: -607.716 Base-Backbone interact. energy: -6.107 local terms energy: -664.915979 where: bonds (distance) C4'-P energy: -127.196 bonds (distance) P-C4' energy: -123.423 flat angles C4'-P-C4' energy: -154.667 flat angles P-C4'-P energy: -87.411 tors. eta vs tors. theta energy: -172.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1921.065021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.065021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.065021 (E_RNA) where: Base-Base interactions energy: -1304.035 where: short stacking energy: -548.292 Base-Backbone interact. energy: -3.559 local terms energy: -613.470608 where: bonds (distance) C4'-P energy: -122.511 bonds (distance) P-C4' energy: -133.761 flat angles C4'-P-C4' energy: -130.040 flat angles P-C4'-P energy: -80.757 tors. eta vs tors. theta energy: -146.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1874.381378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.381378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.381378 (E_RNA) where: Base-Base interactions energy: -1289.659 where: short stacking energy: -558.172 Base-Backbone interact. energy: -0.622 local terms energy: -584.101000 where: bonds (distance) C4'-P energy: -94.757 bonds (distance) P-C4' energy: -130.959 flat angles C4'-P-C4' energy: -124.221 flat angles P-C4'-P energy: -70.598 tors. eta vs tors. theta energy: -163.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1748.008873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.008873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.008873 (E_RNA) where: Base-Base interactions energy: -1152.802 where: short stacking energy: -554.190 Base-Backbone interact. energy: -1.655 local terms energy: -593.552120 where: bonds (distance) C4'-P energy: -105.456 bonds (distance) P-C4' energy: -104.128 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -169.162 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: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1555.389951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.389951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.389951 (E_RNA) where: Base-Base interactions energy: -1036.295 where: short stacking energy: -447.431 Base-Backbone interact. energy: 0.561 local terms energy: -519.656503 where: bonds (distance) C4'-P energy: -119.728 bonds (distance) P-C4' energy: -95.683 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -108.370 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: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1269.915399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.915399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.915399 (E_RNA) where: Base-Base interactions energy: -798.251 where: short stacking energy: -381.736 Base-Backbone interact. energy: -2.956 local terms energy: -468.709139 where: bonds (distance) C4'-P energy: -101.562 bonds (distance) P-C4' energy: -115.243 flat angles C4'-P-C4' energy: -103.245 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -89.838 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: 197 Temperature: 1.250000 Total energy: -953.839292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.839292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.839292 (E_RNA) where: Base-Base interactions energy: -544.650 where: short stacking energy: -253.884 Base-Backbone interact. energy: -3.156 local terms energy: -406.033442 where: bonds (distance) C4'-P energy: -99.585 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -72.805 tors. eta vs tors. theta energy: -28.653 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: 6 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -721.979469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.979469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.979469 (E_RNA) where: Base-Base interactions energy: -360.288 where: short stacking energy: -198.853 Base-Backbone interact. energy: -0.278 local terms energy: -361.414244 where: bonds (distance) C4'-P energy: -97.496 bonds (distance) P-C4' energy: -113.377 flat angles C4'-P-C4' energy: -86.810 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -11.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -562.116744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.116744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.116744 (E_RNA) where: Base-Base interactions energy: -218.070 where: short stacking energy: -177.457 Base-Backbone interact. energy: 10.123 local terms energy: -354.170024 where: bonds (distance) C4'-P energy: -102.297 bonds (distance) P-C4' energy: -99.476 flat angles C4'-P-C4' energy: -91.270 flat angles P-C4'-P energy: -70.188 tors. eta vs tors. theta energy: 9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2135.021224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.021224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.021224 (E_RNA) where: Base-Base interactions energy: -1460.190 where: short stacking energy: -613.851 Base-Backbone interact. energy: -2.526 local terms energy: -672.305206 where: bonds (distance) C4'-P energy: -130.640 bonds (distance) P-C4' energy: -115.588 flat angles C4'-P-C4' energy: -151.450 flat angles P-C4'-P energy: -95.906 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: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2058.643235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.643235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.643235 (E_RNA) where: Base-Base interactions energy: -1416.137 where: short stacking energy: -591.671 Base-Backbone interact. energy: -5.484 local terms energy: -637.021937 where: bonds (distance) C4'-P energy: -127.804 bonds (distance) P-C4' energy: -132.632 flat angles C4'-P-C4' energy: -127.892 flat angles P-C4'-P energy: -84.710 tors. eta vs tors. theta energy: -163.983 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: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1942.687256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.687256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.687256 (E_RNA) where: Base-Base interactions energy: -1322.395 where: short stacking energy: -568.605 Base-Backbone interact. energy: -2.601 local terms energy: -617.691118 where: bonds (distance) C4'-P energy: -117.384 bonds (distance) P-C4' energy: -120.315 flat angles C4'-P-C4' energy: -142.625 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -152.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1908.453463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.453463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.453463 (E_RNA) where: Base-Base interactions energy: -1262.065 where: short stacking energy: -562.523 Base-Backbone interact. energy: -1.922 local terms energy: -644.465967 where: bonds (distance) C4'-P energy: -119.420 bonds (distance) P-C4' energy: -125.273 flat angles C4'-P-C4' energy: -143.487 flat angles P-C4'-P energy: -91.862 tors. eta vs tors. theta energy: -164.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1708.238507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.238507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.238507 (E_RNA) where: Base-Base interactions energy: -1129.017 where: short stacking energy: -517.393 Base-Backbone interact. energy: -1.093 local terms energy: -578.128561 where: bonds (distance) C4'-P energy: -105.012 bonds (distance) P-C4' energy: -117.511 flat angles C4'-P-C4' energy: -128.164 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -144.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1498.711593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.711593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.711593 (E_RNA) where: Base-Base interactions energy: -981.943 where: short stacking energy: -443.344 Base-Backbone interact. energy: -1.308 local terms energy: -515.460675 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -115.409 flat angles C4'-P-C4' energy: -129.612 flat angles P-C4'-P energy: -61.344 tors. eta vs tors. theta energy: -108.053 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: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1211.800664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.800664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.800664 (E_RNA) where: Base-Base interactions energy: -723.194 where: short stacking energy: -356.979 Base-Backbone interact. energy: 0.860 local terms energy: -489.467617 where: bonds (distance) C4'-P energy: -109.247 bonds (distance) P-C4' energy: -122.220 flat angles C4'-P-C4' energy: -115.383 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -67.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -977.847342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.847342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.847342 (E_RNA) where: Base-Base interactions energy: -593.904 where: short stacking energy: -285.286 Base-Backbone interact. energy: -0.408 local terms energy: -383.535794 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -107.697 flat angles C4'-P-C4' energy: -90.599 flat angles P-C4'-P energy: -53.078 tors. eta vs tors. theta energy: -37.114 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: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -750.034410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.034410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.034410 (E_RNA) where: Base-Base interactions energy: -369.908 where: short stacking energy: -200.376 Base-Backbone interact. energy: 2.562 local terms energy: -382.689214 where: bonds (distance) C4'-P energy: -96.703 bonds (distance) P-C4' energy: -119.906 flat angles C4'-P-C4' energy: -103.247 flat angles P-C4'-P energy: -58.480 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -521.736048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.736048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.736048 (E_RNA) where: Base-Base interactions energy: -219.391 where: short stacking energy: -156.175 Base-Backbone interact. energy: -2.576 local terms energy: -299.768911 where: bonds (distance) C4'-P energy: -84.049 bonds (distance) P-C4' energy: -101.854 flat angles C4'-P-C4' energy: -94.303 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: 25.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2127.568363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.568363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.568363 (E_RNA) where: Base-Base interactions energy: -1434.395 where: short stacking energy: -623.277 Base-Backbone interact. energy: -0.927 local terms energy: -692.245600 where: bonds (distance) C4'-P energy: -128.752 bonds (distance) P-C4' energy: -138.652 flat angles C4'-P-C4' energy: -139.011 flat angles P-C4'-P energy: -105.790 tors. eta vs tors. theta energy: -180.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2036.022477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.022477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.022477 (E_RNA) where: Base-Base interactions energy: -1388.051 where: short stacking energy: -591.429 Base-Backbone interact. energy: -0.201 local terms energy: -647.770042 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -121.979 flat angles C4'-P-C4' energy: -141.234 flat angles P-C4'-P energy: -94.468 tors. eta vs tors. theta energy: -166.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1991.795662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.795662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.795662 (E_RNA) where: Base-Base interactions energy: -1360.218 where: short stacking energy: -599.066 Base-Backbone interact. energy: 2.666 local terms energy: -634.243915 where: bonds (distance) C4'-P energy: -116.611 bonds (distance) P-C4' energy: -126.105 flat angles C4'-P-C4' energy: -138.224 flat angles P-C4'-P energy: -90.695 tors. eta vs tors. theta energy: -162.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1870.146835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.146835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.146835 (E_RNA) where: Base-Base interactions energy: -1259.803 where: short stacking energy: -539.930 Base-Backbone interact. energy: 0.787 local terms energy: -611.130541 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -116.253 flat angles C4'-P-C4' energy: -128.224 flat angles P-C4'-P energy: -83.685 tors. eta vs tors. theta energy: -174.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1658.728909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.728909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.728909 (E_RNA) where: Base-Base interactions energy: -1093.289 where: short stacking energy: -485.111 Base-Backbone interact. energy: -2.339 local terms energy: -563.100924 where: bonds (distance) C4'-P energy: -114.926 bonds (distance) P-C4' energy: -112.012 flat angles C4'-P-C4' energy: -123.274 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -142.560 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: 199 Temperature: 1.150000 Total energy: -1502.911421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.911421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.911421 (E_RNA) where: Base-Base interactions energy: -958.092 where: short stacking energy: -449.500 Base-Backbone interact. energy: -3.819 local terms energy: -541.000697 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -121.043 flat angles C4'-P-C4' energy: -133.817 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: -116.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1208.338518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.338518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.338518 (E_RNA) where: Base-Base interactions energy: -759.010 where: short stacking energy: -372.912 Base-Backbone interact. energy: -2.467 local terms energy: -446.861504 where: bonds (distance) C4'-P energy: -107.858 bonds (distance) P-C4' energy: -88.865 flat angles C4'-P-C4' energy: -121.722 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: -66.345 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: 199 Temperature: 1.250000 Total energy: -1057.734299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.734299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.734299 (E_RNA) where: Base-Base interactions energy: -600.206 where: short stacking energy: -310.673 Base-Backbone interact. energy: -3.385 local terms energy: -454.143717 where: bonds (distance) C4'-P energy: -117.528 bonds (distance) P-C4' energy: -114.709 flat angles C4'-P-C4' energy: -100.182 flat angles P-C4'-P energy: -68.297 tors. eta vs tors. theta energy: -53.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -694.582460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.582460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.582460 (E_RNA) where: Base-Base interactions energy: -310.179 where: short stacking energy: -179.967 Base-Backbone interact. energy: -1.406 local terms energy: -382.998092 where: bonds (distance) C4'-P energy: -105.967 bonds (distance) P-C4' energy: -123.124 flat angles C4'-P-C4' energy: -112.059 flat angles P-C4'-P energy: -48.244 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: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -513.229726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.229726 (E_RNA) where: Base-Base interactions energy: -219.453 where: short stacking energy: -160.239 Base-Backbone interact. energy: 0.603 local terms energy: -294.379253 where: bonds (distance) C4'-P energy: -72.711 bonds (distance) P-C4' energy: -112.444 flat angles C4'-P-C4' energy: -72.857 flat angles P-C4'-P energy: -59.264 tors. eta vs tors. theta energy: 22.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2099.332938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.332938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.332938 (E_RNA) where: Base-Base interactions energy: -1443.502 where: short stacking energy: -622.930 Base-Backbone interact. energy: -2.299 local terms energy: -653.532137 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -123.306 flat angles C4'-P-C4' energy: -143.312 flat angles P-C4'-P energy: -87.239 tors. eta vs tors. theta energy: -172.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2041.779185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.779185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.779185 (E_RNA) where: Base-Base interactions energy: -1409.439 where: short stacking energy: -589.548 Base-Backbone interact. energy: -1.737 local terms energy: -630.603660 where: bonds (distance) C4'-P energy: -111.686 bonds (distance) P-C4' energy: -114.718 flat angles C4'-P-C4' energy: -135.489 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -169.716 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: 200 Temperature: 1.000000 Total energy: -1928.283971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.283971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.283971 (E_RNA) where: Base-Base interactions energy: -1303.178 where: short stacking energy: -569.955 Base-Backbone interact. energy: 0.044 local terms energy: -625.149673 where: bonds (distance) C4'-P energy: -131.358 bonds (distance) P-C4' energy: -105.041 flat angles C4'-P-C4' energy: -137.535 flat angles P-C4'-P energy: -93.081 tors. eta vs tors. theta energy: -158.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1883.001361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.001361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.001361 (E_RNA) where: Base-Base interactions energy: -1285.177 where: short stacking energy: -586.416 Base-Backbone interact. energy: 0.247 local terms energy: -598.071498 where: bonds (distance) C4'-P energy: -108.139 bonds (distance) P-C4' energy: -120.222 flat angles C4'-P-C4' energy: -138.487 flat angles P-C4'-P energy: -67.702 tors. eta vs tors. theta energy: -163.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1712.407649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.407649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.407649 (E_RNA) where: Base-Base interactions energy: -1146.879 where: short stacking energy: -505.293 Base-Backbone interact. energy: 1.621 local terms energy: -567.149469 where: bonds (distance) C4'-P energy: -98.009 bonds (distance) P-C4' energy: -127.539 flat angles C4'-P-C4' energy: -115.211 flat angles P-C4'-P energy: -81.754 tors. eta vs tors. theta energy: -144.638 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: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1507.061259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.061259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.061259 (E_RNA) where: Base-Base interactions energy: -1002.866 where: short stacking energy: -452.547 Base-Backbone interact. energy: -3.000 local terms energy: -501.194625 where: bonds (distance) C4'-P energy: -103.769 bonds (distance) P-C4' energy: -90.472 flat angles C4'-P-C4' energy: -112.907 flat angles P-C4'-P energy: -72.448 tors. eta vs tors. theta energy: -121.599 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: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1218.996044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.996044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.996044 (E_RNA) where: Base-Base interactions energy: -765.693 where: short stacking energy: -347.544 Base-Backbone interact. energy: -2.585 local terms energy: -450.718672 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -107.360 flat angles C4'-P-C4' energy: -98.675 flat angles P-C4'-P energy: -72.614 tors. eta vs tors. theta energy: -70.924 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: 200 Temperature: 1.250000 Total energy: -971.102002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.102002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.102002 (E_RNA) where: Base-Base interactions energy: -553.544 where: short stacking energy: -292.329 Base-Backbone interact. energy: -0.229 local terms energy: -417.329103 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -92.500 flat angles C4'-P-C4' energy: -107.687 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -48.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -721.893446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.893446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.893446 (E_RNA) where: Base-Base interactions energy: -369.184 where: short stacking energy: -224.719 Base-Backbone interact. energy: -0.548 local terms energy: -352.161987 where: bonds (distance) C4'-P energy: -94.641 bonds (distance) P-C4' energy: -106.469 flat angles C4'-P-C4' energy: -87.395 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -4.789 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: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -507.922529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.922529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.922529 (E_RNA) where: Base-Base interactions energy: -178.012 where: short stacking energy: -125.915 Base-Backbone interact. energy: -0.517 local terms energy: -329.393980 where: bonds (distance) C4'-P energy: -102.179 bonds (distance) P-C4' energy: -102.576 flat angles C4'-P-C4' energy: -86.415 flat angles P-C4'-P energy: -65.266 tors. eta vs tors. theta energy: 27.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2099.284422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.284422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.284422 (E_RNA) where: Base-Base interactions energy: -1450.183 where: short stacking energy: -605.011 Base-Backbone interact. energy: -1.629 local terms energy: -647.473091 where: bonds (distance) C4'-P energy: -115.334 bonds (distance) P-C4' energy: -120.336 flat angles C4'-P-C4' energy: -140.964 flat angles P-C4'-P energy: -94.844 tors. eta vs tors. theta energy: -175.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2037.469198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.469198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.469198 (E_RNA) where: Base-Base interactions energy: -1399.259 where: short stacking energy: -568.716 Base-Backbone interact. energy: -4.652 local terms energy: -633.557712 where: bonds (distance) C4'-P energy: -119.963 bonds (distance) P-C4' energy: -108.688 flat angles C4'-P-C4' energy: -148.354 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -167.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1954.460546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.460546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.460546 (E_RNA) where: Base-Base interactions energy: -1359.163 where: short stacking energy: -564.230 Base-Backbone interact. energy: -0.383 local terms energy: -594.913961 where: bonds (distance) C4'-P energy: -128.723 bonds (distance) P-C4' energy: -112.013 flat angles C4'-P-C4' energy: -128.048 flat angles P-C4'-P energy: -78.711 tors. eta vs tors. theta energy: -147.419 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: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1879.899854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.899854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.899854 (E_RNA) where: Base-Base interactions energy: -1287.918 where: short stacking energy: -581.111 Base-Backbone interact. energy: -3.030 local terms energy: -588.952247 where: bonds (distance) C4'-P energy: -102.900 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -122.759 flat angles P-C4'-P energy: -76.398 tors. eta vs tors. theta energy: -170.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1755.169270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.169270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.169270 (E_RNA) where: Base-Base interactions energy: -1163.678 where: short stacking energy: -513.611 Base-Backbone interact. energy: -0.170 local terms energy: -591.321419 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -132.187 flat angles P-C4'-P energy: -84.261 tors. eta vs tors. theta energy: -141.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1455.662974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.662974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.662974 (E_RNA) where: Base-Base interactions energy: -970.622 where: short stacking energy: -436.313 Base-Backbone interact. energy: 12.290 local terms energy: -497.331005 where: bonds (distance) C4'-P energy: -94.643 bonds (distance) P-C4' energy: -108.729 flat angles C4'-P-C4' energy: -119.564 flat angles P-C4'-P energy: -85.673 tors. eta vs tors. theta energy: -88.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1205.111642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.111642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.111642 (E_RNA) where: Base-Base interactions energy: -752.681 where: short stacking energy: -329.752 Base-Backbone interact. energy: 1.249 local terms energy: -453.679829 where: bonds (distance) C4'-P energy: -110.281 bonds (distance) P-C4' energy: -116.631 flat angles C4'-P-C4' energy: -104.603 flat angles P-C4'-P energy: -69.670 tors. eta vs tors. theta energy: -52.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -991.914488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.914488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.914488 (E_RNA) where: Base-Base interactions energy: -588.810 where: short stacking energy: -281.895 Base-Backbone interact. energy: -4.090 local terms energy: -399.014488 where: bonds (distance) C4'-P energy: -108.808 bonds (distance) P-C4' energy: -116.520 flat angles C4'-P-C4' energy: -99.159 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -17.613 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: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -757.817773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.817773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.817773 (E_RNA) where: Base-Base interactions energy: -398.614 where: short stacking energy: -233.270 Base-Backbone interact. energy: -1.165 local terms energy: -358.038532 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -111.999 flat angles C4'-P-C4' energy: -108.495 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: -12.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -472.841246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.841246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.841246 (E_RNA) where: Base-Base interactions energy: -167.228 where: short stacking energy: -158.490 Base-Backbone interact. energy: -1.156 local terms energy: -304.457702 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -105.542 flat angles C4'-P-C4' energy: -79.607 flat angles P-C4'-P energy: -34.541 tors. eta vs tors. theta energy: 21.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2106.677215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.677215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.677215 (E_RNA) where: Base-Base interactions energy: -1469.597 where: short stacking energy: -623.040 Base-Backbone interact. energy: -2.669 local terms energy: -634.410478 where: bonds (distance) C4'-P energy: -117.584 bonds (distance) P-C4' energy: -124.229 flat angles C4'-P-C4' energy: -134.226 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -175.593 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2056.433367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.433367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.433367 (E_RNA) where: Base-Base interactions energy: -1420.719 where: short stacking energy: -575.077 Base-Backbone interact. energy: -5.837 local terms energy: -629.877456 where: bonds (distance) C4'-P energy: -122.579 bonds (distance) P-C4' energy: -115.661 flat angles C4'-P-C4' energy: -133.827 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -169.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1962.848269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.848269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.848269 (E_RNA) where: Base-Base interactions energy: -1354.536 where: short stacking energy: -568.903 Base-Backbone interact. energy: 4.359 local terms energy: -612.670523 where: bonds (distance) C4'-P energy: -117.005 bonds (distance) P-C4' energy: -125.574 flat angles C4'-P-C4' energy: -139.301 flat angles P-C4'-P energy: -77.738 tors. eta vs tors. theta energy: -153.054 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: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1893.261740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.261740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.261740 (E_RNA) where: Base-Base interactions energy: -1264.093 where: short stacking energy: -526.271 Base-Backbone interact. energy: -1.142 local terms energy: -628.026832 where: bonds (distance) C4'-P energy: -123.813 bonds (distance) P-C4' energy: -127.506 flat angles C4'-P-C4' energy: -129.708 flat angles P-C4'-P energy: -83.190 tors. eta vs tors. theta energy: -163.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1790.551774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.551774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.551774 (E_RNA) where: Base-Base interactions energy: -1196.685 where: short stacking energy: -503.289 Base-Backbone interact. energy: -5.155 local terms energy: -588.712010 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -111.842 flat angles C4'-P-C4' energy: -127.198 flat angles P-C4'-P energy: -83.897 tors. eta vs tors. theta energy: -135.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1473.731038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.731038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.731038 (E_RNA) where: Base-Base interactions energy: -960.863 where: short stacking energy: -465.762 Base-Backbone interact. energy: 1.307 local terms energy: -514.174434 where: bonds (distance) C4'-P energy: -103.128 bonds (distance) P-C4' energy: -107.104 flat angles C4'-P-C4' energy: -119.694 flat angles P-C4'-P energy: -74.797 tors. eta vs tors. theta energy: -109.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1228.988008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.988008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.988008 (E_RNA) where: Base-Base interactions energy: -784.582 where: short stacking energy: -367.127 Base-Backbone interact. energy: -1.851 local terms energy: -442.554899 where: bonds (distance) C4'-P energy: -100.200 bonds (distance) P-C4' energy: -110.546 flat angles C4'-P-C4' energy: -114.862 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: -68.931 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: 202 Temperature: 1.250000 Total energy: -977.553125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.553125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.553125 (E_RNA) where: Base-Base interactions energy: -583.709 where: short stacking energy: -287.128 Base-Backbone interact. energy: -5.812 local terms energy: -388.032932 where: bonds (distance) C4'-P energy: -100.730 bonds (distance) P-C4' energy: -105.107 flat angles C4'-P-C4' energy: -99.644 flat angles P-C4'-P energy: -53.031 tors. eta vs tors. theta energy: -29.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -776.378999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.378999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.378999 (E_RNA) where: Base-Base interactions energy: -374.566 where: short stacking energy: -226.841 Base-Backbone interact. energy: -2.431 local terms energy: -399.382622 where: bonds (distance) C4'-P energy: -97.745 bonds (distance) P-C4' energy: -116.232 flat angles C4'-P-C4' energy: -78.819 flat angles P-C4'-P energy: -82.055 tors. eta vs tors. theta energy: -24.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -496.300283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.300283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.300283 (E_RNA) where: Base-Base interactions energy: -165.939 where: short stacking energy: -140.872 Base-Backbone interact. energy: 1.557 local terms energy: -331.917843 where: bonds (distance) C4'-P energy: -94.765 bonds (distance) P-C4' energy: -106.761 flat angles C4'-P-C4' energy: -92.256 flat angles P-C4'-P energy: -47.657 tors. eta vs tors. theta energy: 9.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2148.658966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.658966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.658966 (E_RNA) where: Base-Base interactions energy: -1473.197 where: short stacking energy: -638.585 Base-Backbone interact. energy: -4.471 local terms energy: -670.990437 where: bonds (distance) C4'-P energy: -112.848 bonds (distance) P-C4' energy: -132.932 flat angles C4'-P-C4' energy: -142.829 flat angles P-C4'-P energy: -100.500 tors. eta vs tors. theta energy: -181.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2062.581887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.581887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.581887 (E_RNA) where: Base-Base interactions energy: -1422.464 where: short stacking energy: -586.683 Base-Backbone interact. energy: -4.156 local terms energy: -635.962125 where: bonds (distance) C4'-P energy: -134.134 bonds (distance) P-C4' energy: -121.790 flat angles C4'-P-C4' energy: -120.967 flat angles P-C4'-P energy: -82.533 tors. eta vs tors. theta energy: -176.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1954.420953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.420953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.420953 (E_RNA) where: Base-Base interactions energy: -1369.340 where: short stacking energy: -559.415 Base-Backbone interact. energy: -1.954 local terms energy: -583.127208 where: bonds (distance) C4'-P energy: -119.963 bonds (distance) P-C4' energy: -109.058 flat angles C4'-P-C4' energy: -123.833 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -154.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1906.370742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.370742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.370742 (E_RNA) where: Base-Base interactions energy: -1305.516 where: short stacking energy: -541.352 Base-Backbone interact. energy: -1.725 local terms energy: -599.129658 where: bonds (distance) C4'-P energy: -109.126 bonds (distance) P-C4' energy: -124.401 flat angles C4'-P-C4' energy: -130.884 flat angles P-C4'-P energy: -74.422 tors. eta vs tors. theta energy: -160.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1749.471221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.471221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.471221 (E_RNA) where: Base-Base interactions energy: -1196.127 where: short stacking energy: -536.699 Base-Backbone interact. energy: 3.532 local terms energy: -556.876280 where: bonds (distance) C4'-P energy: -96.366 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -125.013 flat angles P-C4'-P energy: -83.153 tors. eta vs tors. theta energy: -150.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1451.302118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.302118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.302118 (E_RNA) where: Base-Base interactions energy: -931.915 where: short stacking energy: -426.203 Base-Backbone interact. energy: 9.387 local terms energy: -528.774301 where: bonds (distance) C4'-P energy: -119.668 bonds (distance) P-C4' energy: -122.550 flat angles C4'-P-C4' energy: -118.494 flat angles P-C4'-P energy: -63.932 tors. eta vs tors. theta energy: -104.131 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: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1131.671865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.671865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.671865 (E_RNA) where: Base-Base interactions energy: -693.903 where: short stacking energy: -325.546 Base-Backbone interact. energy: -2.758 local terms energy: -435.011324 where: bonds (distance) C4'-P energy: -99.488 bonds (distance) P-C4' energy: -107.185 flat angles C4'-P-C4' energy: -97.760 flat angles P-C4'-P energy: -85.654 tors. eta vs tors. theta energy: -44.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -917.793196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.793196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.793196 (E_RNA) where: Base-Base interactions energy: -506.678 where: short stacking energy: -259.963 Base-Backbone interact. energy: 1.561 local terms energy: -412.675985 where: bonds (distance) C4'-P energy: -113.544 bonds (distance) P-C4' energy: -104.270 flat angles C4'-P-C4' energy: -99.932 flat angles P-C4'-P energy: -70.596 tors. eta vs tors. theta energy: -24.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -815.581765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.581765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.581765 (E_RNA) where: Base-Base interactions energy: -441.097 where: short stacking energy: -270.467 Base-Backbone interact. energy: 2.589 local terms energy: -377.073366 where: bonds (distance) C4'-P energy: -98.909 bonds (distance) P-C4' energy: -107.503 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -31.776 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: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -561.082513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.082513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.082513 (E_RNA) where: Base-Base interactions energy: -225.665 where: short stacking energy: -185.629 Base-Backbone interact. energy: -3.722 local terms energy: -331.694757 where: bonds (distance) C4'-P energy: -109.551 bonds (distance) P-C4' energy: -109.398 flat angles C4'-P-C4' energy: -80.787 flat angles P-C4'-P energy: -47.480 tors. eta vs tors. theta energy: 15.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2129.364932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.364932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.364932 (E_RNA) where: Base-Base interactions energy: -1471.427 where: short stacking energy: -594.395 Base-Backbone interact. energy: -3.058 local terms energy: -654.879392 where: bonds (distance) C4'-P energy: -136.657 bonds (distance) P-C4' energy: -125.640 flat angles C4'-P-C4' energy: -132.209 flat angles P-C4'-P energy: -88.201 tors. eta vs tors. theta energy: -172.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2075.050101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.050101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.050101 (E_RNA) where: Base-Base interactions energy: -1422.200 where: short stacking energy: -580.307 Base-Backbone interact. energy: -5.188 local terms energy: -647.661737 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -125.028 flat angles C4'-P-C4' energy: -137.882 flat angles P-C4'-P energy: -92.951 tors. eta vs tors. theta energy: -166.494 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: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1976.903759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.903759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.903759 (E_RNA) where: Base-Base interactions energy: -1364.200 where: short stacking energy: -584.886 Base-Backbone interact. energy: 0.815 local terms energy: -613.519093 where: bonds (distance) C4'-P energy: -119.801 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -86.055 tors. eta vs tors. theta energy: -146.087 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: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1873.842760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.842760 (E_RNA) where: Base-Base interactions energy: -1277.626 where: short stacking energy: -567.761 Base-Backbone interact. energy: -3.836 local terms energy: -592.380914 where: bonds (distance) C4'-P energy: -121.535 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -122.631 flat angles P-C4'-P energy: -87.217 tors. eta vs tors. theta energy: -157.180 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: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1736.307715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.307715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.307715 (E_RNA) where: Base-Base interactions energy: -1135.212 where: short stacking energy: -515.069 Base-Backbone interact. energy: -2.110 local terms energy: -598.986080 where: bonds (distance) C4'-P energy: -127.722 bonds (distance) P-C4' energy: -122.771 flat angles C4'-P-C4' energy: -114.902 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -156.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1474.422599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.422599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.422599 (E_RNA) where: Base-Base interactions energy: -950.199 where: short stacking energy: -424.166 Base-Backbone interact. energy: -4.944 local terms energy: -519.279254 where: bonds (distance) C4'-P energy: -118.722 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -114.514 flat angles P-C4'-P energy: -66.165 tors. eta vs tors. theta energy: -99.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1180.329477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.329477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.329477 (E_RNA) where: Base-Base interactions energy: -758.640 where: short stacking energy: -381.018 Base-Backbone interact. energy: 1.893 local terms energy: -423.582433 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -100.326 flat angles C4'-P-C4' energy: -105.436 flat angles P-C4'-P energy: -62.532 tors. eta vs tors. theta energy: -63.072 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: 204 Temperature: 1.250000 Total energy: -929.927823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.927823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.927823 (E_RNA) where: Base-Base interactions energy: -538.862 where: short stacking energy: -290.433 Base-Backbone interact. energy: 0.417 local terms energy: -391.483107 where: bonds (distance) C4'-P energy: -91.170 bonds (distance) P-C4' energy: -110.906 flat angles C4'-P-C4' energy: -106.169 flat angles P-C4'-P energy: -56.519 tors. eta vs tors. theta energy: -26.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -811.286864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.286864 (E_RNA) where: Base-Base interactions energy: -455.763 where: short stacking energy: -246.205 Base-Backbone interact. energy: 0.151 local terms energy: -355.675204 where: bonds (distance) C4'-P energy: -107.500 bonds (distance) P-C4' energy: -105.024 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -14.123 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: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -530.591358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.591358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.591358 (E_RNA) where: Base-Base interactions energy: -191.727 where: short stacking energy: -153.835 Base-Backbone interact. energy: -0.261 local terms energy: -338.603258 where: bonds (distance) C4'-P energy: -105.558 bonds (distance) P-C4' energy: -112.601 flat angles C4'-P-C4' energy: -73.120 flat angles P-C4'-P energy: -63.982 tors. eta vs tors. theta energy: 16.658 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: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2104.993222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.993222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.993222 (E_RNA) where: Base-Base interactions energy: -1448.707 where: short stacking energy: -617.668 Base-Backbone interact. energy: 2.412 local terms energy: -658.698439 where: bonds (distance) C4'-P energy: -119.804 bonds (distance) P-C4' energy: -126.512 flat angles C4'-P-C4' energy: -137.100 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -184.718 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: 205 Temperature: 0.950000 Total energy: -2081.401268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.401268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.401268 (E_RNA) where: Base-Base interactions energy: -1453.384 where: short stacking energy: -578.623 Base-Backbone interact. energy: 0.691 local terms energy: -628.708843 where: bonds (distance) C4'-P energy: -113.332 bonds (distance) P-C4' energy: -126.136 flat angles C4'-P-C4' energy: -135.628 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -175.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1945.803007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.803007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.803007 (E_RNA) where: Base-Base interactions energy: -1348.195 where: short stacking energy: -541.139 Base-Backbone interact. energy: 4.924 local terms energy: -602.531963 where: bonds (distance) C4'-P energy: -122.962 bonds (distance) P-C4' energy: -123.376 flat angles C4'-P-C4' energy: -128.380 flat angles P-C4'-P energy: -79.571 tors. eta vs tors. theta energy: -148.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1842.175238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.175238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.175238 (E_RNA) where: Base-Base interactions energy: -1254.834 where: short stacking energy: -514.277 Base-Backbone interact. energy: -3.463 local terms energy: -583.878531 where: bonds (distance) C4'-P energy: -103.459 bonds (distance) P-C4' energy: -111.319 flat angles C4'-P-C4' energy: -132.908 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -151.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1804.177596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.177596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.177596 (E_RNA) where: Base-Base interactions energy: -1221.986 where: short stacking energy: -529.191 Base-Backbone interact. energy: -2.739 local terms energy: -579.452787 where: bonds (distance) C4'-P energy: -100.655 bonds (distance) P-C4' energy: -119.815 flat angles C4'-P-C4' energy: -130.199 flat angles P-C4'-P energy: -87.119 tors. eta vs tors. theta energy: -141.664 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: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1440.515382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.515382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.515382 (E_RNA) where: Base-Base interactions energy: -941.065 where: short stacking energy: -424.401 Base-Backbone interact. energy: 1.038 local terms energy: -500.488393 where: bonds (distance) C4'-P energy: -94.319 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -119.978 flat angles P-C4'-P energy: -80.130 tors. eta vs tors. theta energy: -105.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1171.554362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.554362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.554362 (E_RNA) where: Base-Base interactions energy: -723.411 where: short stacking energy: -322.378 Base-Backbone interact. energy: -3.847 local terms energy: -444.296313 where: bonds (distance) C4'-P energy: -87.532 bonds (distance) P-C4' energy: -118.822 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -76.781 tors. eta vs tors. theta energy: -55.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -895.788266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.788266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.788266 (E_RNA) where: Base-Base interactions energy: -480.894 where: short stacking energy: -240.084 Base-Backbone interact. energy: 4.846 local terms energy: -419.739995 where: bonds (distance) C4'-P energy: -111.133 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -109.626 flat angles P-C4'-P energy: -70.522 tors. eta vs tors. theta energy: -13.152 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: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -896.125813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.125813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.125813 (E_RNA) where: Base-Base interactions energy: -507.195 where: short stacking energy: -252.785 Base-Backbone interact. energy: 5.624 local terms energy: -394.555203 where: bonds (distance) C4'-P energy: -93.250 bonds (distance) P-C4' energy: -108.766 flat angles C4'-P-C4' energy: -115.425 flat angles P-C4'-P energy: -56.665 tors. eta vs tors. theta energy: -20.449 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: 10, replica: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -530.121024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.121024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.121024 (E_RNA) where: Base-Base interactions energy: -205.090 where: short stacking energy: -157.004 Base-Backbone interact. energy: 4.551 local terms energy: -329.581871 where: bonds (distance) C4'-P energy: -104.043 bonds (distance) P-C4' energy: -112.871 flat angles C4'-P-C4' energy: -102.837 flat angles P-C4'-P energy: -34.252 tors. eta vs tors. theta energy: 24.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2107.753883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.753883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.753883 (E_RNA) where: Base-Base interactions energy: -1455.658 where: short stacking energy: -624.954 Base-Backbone interact. energy: 0.304 local terms energy: -652.399760 where: bonds (distance) C4'-P energy: -112.178 bonds (distance) P-C4' energy: -135.893 flat angles C4'-P-C4' energy: -149.184 flat angles P-C4'-P energy: -84.757 tors. eta vs tors. theta energy: -170.388 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: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2098.733932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.733932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.733932 (E_RNA) where: Base-Base interactions energy: -1456.980 where: short stacking energy: -601.569 Base-Backbone interact. energy: 0.085 local terms energy: -641.838386 where: bonds (distance) C4'-P energy: -121.547 bonds (distance) P-C4' energy: -126.695 flat angles C4'-P-C4' energy: -131.141 flat angles P-C4'-P energy: -87.731 tors. eta vs tors. theta energy: -174.724 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: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2000.251954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.251954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.251954 (E_RNA) where: Base-Base interactions energy: -1388.188 where: short stacking energy: -563.084 Base-Backbone interact. energy: -6.169 local terms energy: -605.894753 where: bonds (distance) C4'-P energy: -127.139 bonds (distance) P-C4' energy: -119.917 flat angles C4'-P-C4' energy: -130.287 flat angles P-C4'-P energy: -71.286 tors. eta vs tors. theta energy: -157.266 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1847.839126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.839126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.839126 (E_RNA) where: Base-Base interactions energy: -1246.504 where: short stacking energy: -534.305 Base-Backbone interact. energy: -1.103 local terms energy: -600.231813 where: bonds (distance) C4'-P energy: -94.845 bonds (distance) P-C4' energy: -116.248 flat angles C4'-P-C4' energy: -148.756 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -161.044 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: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1839.899078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.899078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.899078 (E_RNA) where: Base-Base interactions energy: -1236.737 where: short stacking energy: -531.109 Base-Backbone interact. energy: -2.509 local terms energy: -600.653282 where: bonds (distance) C4'-P energy: -130.389 bonds (distance) P-C4' energy: -124.306 flat angles C4'-P-C4' energy: -129.194 flat angles P-C4'-P energy: -74.375 tors. eta vs tors. theta energy: -142.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1388.999927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.999927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.999927 (E_RNA) where: Base-Base interactions energy: -902.633 where: short stacking energy: -427.881 Base-Backbone interact. energy: -4.075 local terms energy: -482.291371 where: bonds (distance) C4'-P energy: -87.224 bonds (distance) P-C4' energy: -123.054 flat angles C4'-P-C4' energy: -112.111 flat angles P-C4'-P energy: -69.615 tors. eta vs tors. theta energy: -90.288 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: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1181.558445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.558445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.558445 (E_RNA) where: Base-Base interactions energy: -735.206 where: short stacking energy: -324.583 Base-Backbone interact. energy: -1.460 local terms energy: -444.893026 where: bonds (distance) C4'-P energy: -111.987 bonds (distance) P-C4' energy: -123.268 flat angles C4'-P-C4' energy: -91.223 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -53.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -921.412865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.412865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.412865 (E_RNA) where: Base-Base interactions energy: -507.808 where: short stacking energy: -274.761 Base-Backbone interact. energy: -0.741 local terms energy: -412.863749 where: bonds (distance) C4'-P energy: -90.764 bonds (distance) P-C4' energy: -126.442 flat angles C4'-P-C4' energy: -99.939 flat angles P-C4'-P energy: -63.089 tors. eta vs tors. theta energy: -32.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -837.078509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.078509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.078509 (E_RNA) where: Base-Base interactions energy: -441.746 where: short stacking energy: -221.694 Base-Backbone interact. energy: -0.378 local terms energy: -394.954442 where: bonds (distance) C4'-P energy: -101.717 bonds (distance) P-C4' energy: -117.740 flat angles C4'-P-C4' energy: -103.197 flat angles P-C4'-P energy: -70.088 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: 10, replica: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -501.778118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.778118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.778118 (E_RNA) where: Base-Base interactions energy: -179.783 where: short stacking energy: -134.538 Base-Backbone interact. energy: 0.937 local terms energy: -322.931763 where: bonds (distance) C4'-P energy: -92.883 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -97.768 flat angles P-C4'-P energy: -52.461 tors. eta vs tors. theta energy: 24.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2124.180297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.180297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.180297 (E_RNA) where: Base-Base interactions energy: -1477.883 where: short stacking energy: -602.978 Base-Backbone interact. energy: -3.608 local terms energy: -642.689440 where: bonds (distance) C4'-P energy: -110.359 bonds (distance) P-C4' energy: -126.138 flat angles C4'-P-C4' energy: -132.876 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -192.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2080.348920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.348920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.348920 (E_RNA) where: Base-Base interactions energy: -1420.062 where: short stacking energy: -606.373 Base-Backbone interact. energy: -8.600 local terms energy: -651.686460 where: bonds (distance) C4'-P energy: -121.456 bonds (distance) P-C4' energy: -111.515 flat angles C4'-P-C4' energy: -142.559 flat angles P-C4'-P energy: -94.752 tors. eta vs tors. theta energy: -181.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2013.633999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.633999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.633999 (E_RNA) where: Base-Base interactions energy: -1397.021 where: short stacking energy: -589.992 Base-Backbone interact. energy: -5.151 local terms energy: -611.461195 where: bonds (distance) C4'-P energy: -121.044 bonds (distance) P-C4' energy: -129.081 flat angles C4'-P-C4' energy: -125.892 flat angles P-C4'-P energy: -75.966 tors. eta vs tors. theta energy: -159.477 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: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1880.629047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.629047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.629047 (E_RNA) where: Base-Base interactions energy: -1259.069 where: short stacking energy: -560.665 Base-Backbone interact. energy: -1.788 local terms energy: -619.772626 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -114.420 flat angles C4'-P-C4' energy: -136.331 flat angles P-C4'-P energy: -84.536 tors. eta vs tors. theta energy: -165.848 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: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1801.445008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.445008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.445008 (E_RNA) where: Base-Base interactions energy: -1232.258 where: short stacking energy: -532.517 Base-Backbone interact. energy: -2.220 local terms energy: -566.967252 where: bonds (distance) C4'-P energy: -122.935 bonds (distance) P-C4' energy: -120.449 flat angles C4'-P-C4' energy: -101.109 flat angles P-C4'-P energy: -68.729 tors. eta vs tors. theta energy: -153.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1412.634356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.634356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.634356 (E_RNA) where: Base-Base interactions energy: -872.438 where: short stacking energy: -416.656 Base-Backbone interact. energy: 1.890 local terms energy: -542.087315 where: bonds (distance) C4'-P energy: -126.714 bonds (distance) P-C4' energy: -113.010 flat angles C4'-P-C4' energy: -116.651 flat angles P-C4'-P energy: -83.213 tors. eta vs tors. theta energy: -102.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1295.915055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.915055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.915055 (E_RNA) where: Base-Base interactions energy: -835.460 where: short stacking energy: -389.052 Base-Backbone interact. energy: 4.208 local terms energy: -464.662288 where: bonds (distance) C4'-P energy: -97.056 bonds (distance) P-C4' energy: -99.688 flat angles C4'-P-C4' energy: -105.889 flat angles P-C4'-P energy: -69.854 tors. eta vs tors. theta energy: -92.176 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: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -907.384531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.384531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.384531 (E_RNA) where: Base-Base interactions energy: -516.032 where: short stacking energy: -285.732 Base-Backbone interact. energy: 0.598 local terms energy: -391.950833 where: bonds (distance) C4'-P energy: -100.768 bonds (distance) P-C4' energy: -97.369 flat angles C4'-P-C4' energy: -109.925 flat angles P-C4'-P energy: -54.613 tors. eta vs tors. theta energy: -29.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -865.682006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.682006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.682006 (E_RNA) where: Base-Base interactions energy: -504.809 where: short stacking energy: -216.184 Base-Backbone interact. energy: -3.613 local terms energy: -357.259701 where: bonds (distance) C4'-P energy: -107.394 bonds (distance) P-C4' energy: -104.436 flat angles C4'-P-C4' energy: -114.711 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: 17.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -504.999129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.999129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.999129 (E_RNA) where: Base-Base interactions energy: -163.425 where: short stacking energy: -144.222 Base-Backbone interact. energy: 1.676 local terms energy: -343.249907 where: bonds (distance) C4'-P energy: -110.694 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -76.469 flat angles P-C4'-P energy: -64.330 tors. eta vs tors. theta energy: 22.312 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: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2120.353900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.353900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.353900 (E_RNA) where: Base-Base interactions energy: -1450.592 where: short stacking energy: -600.904 Base-Backbone interact. energy: -5.889 local terms energy: -663.873302 where: bonds (distance) C4'-P energy: -118.161 bonds (distance) P-C4' energy: -132.851 flat angles C4'-P-C4' energy: -138.322 flat angles P-C4'-P energy: -99.429 tors. eta vs tors. theta energy: -175.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2053.069121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.069121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.069121 (E_RNA) where: Base-Base interactions energy: -1402.213 where: short stacking energy: -600.549 Base-Backbone interact. energy: 1.215 local terms energy: -652.070945 where: bonds (distance) C4'-P energy: -131.925 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -122.975 flat angles P-C4'-P energy: -99.148 tors. eta vs tors. theta energy: -172.083 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: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1993.842055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.842055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.842055 (E_RNA) where: Base-Base interactions energy: -1393.754 where: short stacking energy: -587.218 Base-Backbone interact. energy: 1.451 local terms energy: -601.539400 where: bonds (distance) C4'-P energy: -102.530 bonds (distance) P-C4' energy: -116.422 flat angles C4'-P-C4' energy: -133.045 flat angles P-C4'-P energy: -81.290 tors. eta vs tors. theta energy: -168.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1864.458928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.458928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.458928 (E_RNA) where: Base-Base interactions energy: -1256.086 where: short stacking energy: -573.078 Base-Backbone interact. energy: -1.080 local terms energy: -607.293362 where: bonds (distance) C4'-P energy: -106.290 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -129.210 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -166.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1813.670923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.670923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.670923 (E_RNA) where: Base-Base interactions energy: -1214.199 where: short stacking energy: -524.856 Base-Backbone interact. energy: -1.437 local terms energy: -598.034375 where: bonds (distance) C4'-P energy: -115.189 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -142.948 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -150.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1449.102691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.102691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.102691 (E_RNA) where: Base-Base interactions energy: -929.844 where: short stacking energy: -437.222 Base-Backbone interact. energy: -2.723 local terms energy: -516.536182 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -119.868 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -99.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1203.272539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.272539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.272539 (E_RNA) where: Base-Base interactions energy: -758.080 where: short stacking energy: -359.568 Base-Backbone interact. energy: -0.367 local terms energy: -444.826201 where: bonds (distance) C4'-P energy: -82.703 bonds (distance) P-C4' energy: -100.442 flat angles C4'-P-C4' energy: -128.512 flat angles P-C4'-P energy: -74.847 tors. eta vs tors. theta energy: -58.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -951.940735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.940735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.940735 (E_RNA) where: Base-Base interactions energy: -522.099 where: short stacking energy: -248.901 Base-Backbone interact. energy: 0.251 local terms energy: -430.092818 where: bonds (distance) C4'-P energy: -104.016 bonds (distance) P-C4' energy: -107.240 flat angles C4'-P-C4' energy: -112.468 flat angles P-C4'-P energy: -64.093 tors. eta vs tors. theta energy: -42.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -833.206179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.206179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.206179 (E_RNA) where: Base-Base interactions energy: -488.717 where: short stacking energy: -232.197 Base-Backbone interact. energy: -1.459 local terms energy: -343.029882 where: bonds (distance) C4'-P energy: -88.692 bonds (distance) P-C4' energy: -112.435 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -12.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -497.716203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.716203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.716203 (E_RNA) where: Base-Base interactions energy: -192.010 where: short stacking energy: -163.559 Base-Backbone interact. energy: 1.923 local terms energy: -307.629347 where: bonds (distance) C4'-P energy: -91.663 bonds (distance) P-C4' energy: -111.534 flat angles C4'-P-C4' energy: -83.121 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: 28.129 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: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2137.752644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.752644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.752644 (E_RNA) where: Base-Base interactions energy: -1464.688 where: short stacking energy: -587.568 Base-Backbone interact. energy: -6.500 local terms energy: -666.564672 where: bonds (distance) C4'-P energy: -133.000 bonds (distance) P-C4' energy: -127.164 flat angles C4'-P-C4' energy: -136.530 flat angles P-C4'-P energy: -92.994 tors. eta vs tors. theta energy: -176.875 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: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2074.419293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.419293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.419293 (E_RNA) where: Base-Base interactions energy: -1400.022 where: short stacking energy: -587.974 Base-Backbone interact. energy: -0.483 local terms energy: -673.914929 where: bonds (distance) C4'-P energy: -137.377 bonds (distance) P-C4' energy: -124.546 flat angles C4'-P-C4' energy: -139.544 flat angles P-C4'-P energy: -93.235 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: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1997.092730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.092730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.092730 (E_RNA) where: Base-Base interactions energy: -1384.702 where: short stacking energy: -576.664 Base-Backbone interact. energy: -2.644 local terms energy: -609.746480 where: bonds (distance) C4'-P energy: -103.818 bonds (distance) P-C4' energy: -128.181 flat angles C4'-P-C4' energy: -138.184 flat angles P-C4'-P energy: -82.896 tors. eta vs tors. theta energy: -156.668 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: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1878.721721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.721721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.721721 (E_RNA) where: Base-Base interactions energy: -1256.309 where: short stacking energy: -569.115 Base-Backbone interact. energy: -3.534 local terms energy: -618.878753 where: bonds (distance) C4'-P energy: -127.408 bonds (distance) P-C4' energy: -108.873 flat angles C4'-P-C4' energy: -132.749 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -170.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1788.282542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.282542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.282542 (E_RNA) where: Base-Base interactions energy: -1194.840 where: short stacking energy: -532.517 Base-Backbone interact. energy: -2.436 local terms energy: -591.006881 where: bonds (distance) C4'-P energy: -116.850 bonds (distance) P-C4' energy: -120.455 flat angles C4'-P-C4' energy: -121.790 flat angles P-C4'-P energy: -79.694 tors. eta vs tors. theta energy: -152.217 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: 6, replica: 10 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1427.940147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.940147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.940147 (E_RNA) where: Base-Base interactions energy: -889.100 where: short stacking energy: -405.725 Base-Backbone interact. energy: -0.353 local terms energy: -538.486484 where: bonds (distance) C4'-P energy: -105.416 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -120.400 flat angles P-C4'-P energy: -80.230 tors. eta vs tors. theta energy: -107.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1186.032202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.032202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.032202 (E_RNA) where: Base-Base interactions energy: -743.342 where: short stacking energy: -357.178 Base-Backbone interact. energy: -3.183 local terms energy: -439.507255 where: bonds (distance) C4'-P energy: -99.281 bonds (distance) P-C4' energy: -95.388 flat angles C4'-P-C4' energy: -112.867 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -57.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -925.489238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.489238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.489238 (E_RNA) where: Base-Base interactions energy: -508.882 where: short stacking energy: -256.144 Base-Backbone interact. energy: -3.806 local terms energy: -412.801618 where: bonds (distance) C4'-P energy: -99.975 bonds (distance) P-C4' energy: -124.792 flat angles C4'-P-C4' energy: -98.488 flat angles P-C4'-P energy: -66.110 tors. eta vs tors. theta energy: -23.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -982.817988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.817988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.817988 (E_RNA) where: Base-Base interactions energy: -575.149 where: short stacking energy: -309.343 Base-Backbone interact. energy: 0.021 local terms energy: -407.690127 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -103.131 flat angles C4'-P-C4' energy: -109.600 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -55.265 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: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -531.348632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.348632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.348632 (E_RNA) where: Base-Base interactions energy: -200.357 where: short stacking energy: -144.151 Base-Backbone interact. energy: 0.825 local terms energy: -331.816686 where: bonds (distance) C4'-P energy: -79.316 bonds (distance) P-C4' energy: -120.223 flat angles C4'-P-C4' energy: -85.191 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: 19.972 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: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2132.017986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.017986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.017986 (E_RNA) where: Base-Base interactions energy: -1471.045 where: short stacking energy: -620.799 Base-Backbone interact. energy: -0.891 local terms energy: -660.081209 where: bonds (distance) C4'-P energy: -118.717 bonds (distance) P-C4' energy: -124.525 flat angles C4'-P-C4' energy: -140.827 flat angles P-C4'-P energy: -94.642 tors. eta vs tors. theta energy: -181.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2062.182271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.182271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.182271 (E_RNA) where: Base-Base interactions energy: -1414.738 where: short stacking energy: -593.783 Base-Backbone interact. energy: 7.327 local terms energy: -654.770948 where: bonds (distance) C4'-P energy: -114.771 bonds (distance) P-C4' energy: -134.329 flat angles C4'-P-C4' energy: -140.136 flat angles P-C4'-P energy: -80.044 tors. eta vs tors. theta energy: -185.492 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: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1989.142579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.142579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.142579 (E_RNA) where: Base-Base interactions energy: -1381.086 where: short stacking energy: -551.338 Base-Backbone interact. energy: -0.180 local terms energy: -607.875688 where: bonds (distance) C4'-P energy: -112.790 bonds (distance) P-C4' energy: -122.361 flat angles C4'-P-C4' energy: -128.011 flat angles P-C4'-P energy: -88.597 tors. eta vs tors. theta energy: -156.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1853.564264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.564264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.564264 (E_RNA) where: Base-Base interactions energy: -1243.246 where: short stacking energy: -541.419 Base-Backbone interact. energy: -2.456 local terms energy: -607.862394 where: bonds (distance) C4'-P energy: -122.245 bonds (distance) P-C4' energy: -119.641 flat angles C4'-P-C4' energy: -127.402 flat angles P-C4'-P energy: -87.755 tors. eta vs tors. theta energy: -150.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1784.953987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.953987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.953987 (E_RNA) where: Base-Base interactions energy: -1202.837 where: short stacking energy: -545.479 Base-Backbone interact. energy: 1.430 local terms energy: -583.546295 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -124.413 flat angles P-C4'-P energy: -77.033 tors. eta vs tors. theta energy: -154.397 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: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1462.803716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.803716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.803716 (E_RNA) where: Base-Base interactions energy: -942.005 where: short stacking energy: -438.164 Base-Backbone interact. energy: 1.607 local terms energy: -522.405917 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -101.667 flat angles C4'-P-C4' energy: -111.792 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -118.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1243.984878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.984878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.984878 (E_RNA) where: Base-Base interactions energy: -783.720 where: short stacking energy: -356.814 Base-Backbone interact. energy: -1.919 local terms energy: -458.345869 where: bonds (distance) C4'-P energy: -107.593 bonds (distance) P-C4' energy: -105.408 flat angles C4'-P-C4' energy: -119.096 flat angles P-C4'-P energy: -73.664 tors. eta vs tors. theta energy: -52.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -956.873109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.873109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.873109 (E_RNA) where: Base-Base interactions energy: -524.309 where: short stacking energy: -280.451 Base-Backbone interact. energy: -2.536 local terms energy: -430.028454 where: bonds (distance) C4'-P energy: -111.881 bonds (distance) P-C4' energy: -121.724 flat angles C4'-P-C4' energy: -98.102 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -44.526 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: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -906.363683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.363683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.363683 (E_RNA) where: Base-Base interactions energy: -541.144 where: short stacking energy: -249.414 Base-Backbone interact. energy: 3.433 local terms energy: -368.652476 where: bonds (distance) C4'-P energy: -97.896 bonds (distance) P-C4' energy: -108.797 flat angles C4'-P-C4' energy: -80.547 flat angles P-C4'-P energy: -61.533 tors. eta vs tors. theta energy: -19.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -510.598557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.598557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.598557 (E_RNA) where: Base-Base interactions energy: -151.532 where: short stacking energy: -126.188 Base-Backbone interact. energy: -2.054 local terms energy: -357.012879 where: bonds (distance) C4'-P energy: -118.822 bonds (distance) P-C4' energy: -105.711 flat angles C4'-P-C4' energy: -89.264 flat angles P-C4'-P energy: -64.524 tors. eta vs tors. theta energy: 21.309 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: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2101.706832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.706832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.706832 (E_RNA) where: Base-Base interactions energy: -1451.434 where: short stacking energy: -627.149 Base-Backbone interact. energy: -6.752 local terms energy: -643.520662 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -135.429 flat angles C4'-P-C4' energy: -134.134 flat angles P-C4'-P energy: -76.777 tors. eta vs tors. theta energy: -175.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2065.197064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.197064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.197064 (E_RNA) where: Base-Base interactions energy: -1452.556 where: short stacking energy: -589.636 Base-Backbone interact. energy: -2.762 local terms energy: -609.879277 where: bonds (distance) C4'-P energy: -130.280 bonds (distance) P-C4' energy: -126.028 flat angles C4'-P-C4' energy: -121.801 flat angles P-C4'-P energy: -67.077 tors. eta vs tors. theta energy: -164.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1948.807362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.807362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.807362 (E_RNA) where: Base-Base interactions energy: -1335.859 where: short stacking energy: -565.093 Base-Backbone interact. energy: -1.928 local terms energy: -611.020778 where: bonds (distance) C4'-P energy: -122.702 bonds (distance) P-C4' energy: -121.294 flat angles C4'-P-C4' energy: -142.429 flat angles P-C4'-P energy: -82.808 tors. eta vs tors. theta energy: -141.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1874.555065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.555065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.555065 (E_RNA) where: Base-Base interactions energy: -1254.867 where: short stacking energy: -549.805 Base-Backbone interact. energy: -3.253 local terms energy: -616.435652 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -114.162 flat angles C4'-P-C4' energy: -127.514 flat angles P-C4'-P energy: -95.286 tors. eta vs tors. theta energy: -166.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1755.299838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.299838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.299838 (E_RNA) where: Base-Base interactions energy: -1185.482 where: short stacking energy: -515.052 Base-Backbone interact. energy: 0.378 local terms energy: -570.196144 where: bonds (distance) C4'-P energy: -120.215 bonds (distance) P-C4' energy: -90.639 flat angles C4'-P-C4' energy: -121.589 flat angles P-C4'-P energy: -81.536 tors. eta vs tors. theta energy: -156.218 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: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1452.330118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.330118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.330118 (E_RNA) where: Base-Base interactions energy: -928.630 where: short stacking energy: -436.557 Base-Backbone interact. energy: 0.528 local terms energy: -524.228384 where: bonds (distance) C4'-P energy: -109.049 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -111.704 flat angles P-C4'-P energy: -77.569 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: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1168.980438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.980438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.980438 (E_RNA) where: Base-Base interactions energy: -718.937 where: short stacking energy: -350.006 Base-Backbone interact. energy: -1.010 local terms energy: -449.033180 where: bonds (distance) C4'-P energy: -96.282 bonds (distance) P-C4' energy: -93.961 flat angles C4'-P-C4' energy: -102.899 flat angles P-C4'-P energy: -77.519 tors. eta vs tors. theta energy: -78.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -917.731406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.731406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.731406 (E_RNA) where: Base-Base interactions energy: -517.838 where: short stacking energy: -265.244 Base-Backbone interact. energy: -1.147 local terms energy: -398.746484 where: bonds (distance) C4'-P energy: -114.343 bonds (distance) P-C4' energy: -100.689 flat angles C4'-P-C4' energy: -86.781 flat angles P-C4'-P energy: -63.237 tors. eta vs tors. theta energy: -33.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -899.280351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.280351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.280351 (E_RNA) where: Base-Base interactions energy: -506.157 where: short stacking energy: -268.248 Base-Backbone interact. energy: 0.967 local terms energy: -394.091002 where: bonds (distance) C4'-P energy: -97.584 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -111.556 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -27.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -495.732643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.732643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.732643 (E_RNA) where: Base-Base interactions energy: -185.421 where: short stacking energy: -148.881 Base-Backbone interact. energy: 7.127 local terms energy: -317.437740 where: bonds (distance) C4'-P energy: -100.329 bonds (distance) P-C4' energy: -100.445 flat angles C4'-P-C4' energy: -101.774 flat angles P-C4'-P energy: -34.182 tors. eta vs tors. theta energy: 19.291 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: 212 Temperature: 0.900000 Total energy: -2143.356316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.356316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.356316 (E_RNA) where: Base-Base interactions energy: -1465.548 where: short stacking energy: -578.422 Base-Backbone interact. energy: -6.759 local terms energy: -671.049691 where: bonds (distance) C4'-P energy: -121.665 bonds (distance) P-C4' energy: -138.870 flat angles C4'-P-C4' energy: -140.239 flat angles P-C4'-P energy: -93.519 tors. eta vs tors. theta energy: -176.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2071.497179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.497179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.497179 (E_RNA) where: Base-Base interactions energy: -1433.840 where: short stacking energy: -607.223 Base-Backbone interact. energy: -1.295 local terms energy: -636.362815 where: bonds (distance) C4'-P energy: -128.303 bonds (distance) P-C4' energy: -113.056 flat angles C4'-P-C4' energy: -139.326 flat angles P-C4'-P energy: -77.056 tors. eta vs tors. theta energy: -178.621 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: 212 Temperature: 1.000000 Total energy: -2011.223558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.223558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.223558 (E_RNA) where: Base-Base interactions energy: -1365.271 where: short stacking energy: -585.874 Base-Backbone interact. energy: -1.399 local terms energy: -644.553919 where: bonds (distance) C4'-P energy: -121.535 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -139.157 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -158.724 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: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1883.416918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.416918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.416918 (E_RNA) where: Base-Base interactions energy: -1270.600 where: short stacking energy: -557.298 Base-Backbone interact. energy: -1.128 local terms energy: -611.688572 where: bonds (distance) C4'-P energy: -120.254 bonds (distance) P-C4' energy: -111.597 flat angles C4'-P-C4' energy: -125.335 flat angles P-C4'-P energy: -87.556 tors. eta vs tors. theta energy: -166.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1786.686864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.686864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.686864 (E_RNA) where: Base-Base interactions energy: -1208.157 where: short stacking energy: -532.618 Base-Backbone interact. energy: -2.337 local terms energy: -576.192643 where: bonds (distance) C4'-P energy: -119.455 bonds (distance) P-C4' energy: -110.726 flat angles C4'-P-C4' energy: -122.152 flat angles P-C4'-P energy: -73.962 tors. eta vs tors. theta energy: -149.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1500.045057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.045057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.045057 (E_RNA) where: Base-Base interactions energy: -964.204 where: short stacking energy: -468.304 Base-Backbone interact. energy: 1.180 local terms energy: -537.020957 where: bonds (distance) C4'-P energy: -97.417 bonds (distance) P-C4' energy: -120.195 flat angles C4'-P-C4' energy: -117.556 flat angles P-C4'-P energy: -68.435 tors. eta vs tors. theta energy: -133.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1179.498903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.498903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.498903 (E_RNA) where: Base-Base interactions energy: -724.281 where: short stacking energy: -335.257 Base-Backbone interact. energy: -0.725 local terms energy: -454.493646 where: bonds (distance) C4'-P energy: -113.252 bonds (distance) P-C4' energy: -109.237 flat angles C4'-P-C4' energy: -95.277 flat angles P-C4'-P energy: -67.270 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: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -872.650562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.650562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.650562 (E_RNA) where: Base-Base interactions energy: -493.589 where: short stacking energy: -284.330 Base-Backbone interact. energy: 2.881 local terms energy: -381.942203 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -112.972 flat angles C4'-P-C4' energy: -85.952 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -20.539 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: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -828.148687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.148687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.148687 (E_RNA) where: Base-Base interactions energy: -465.557 where: short stacking energy: -231.109 Base-Backbone interact. energy: -1.080 local terms energy: -361.511569 where: bonds (distance) C4'-P energy: -98.922 bonds (distance) P-C4' energy: -110.461 flat angles C4'-P-C4' energy: -91.333 flat angles P-C4'-P energy: -56.223 tors. eta vs tors. theta energy: -4.573 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: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -470.439825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.439825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.439825 (E_RNA) where: Base-Base interactions energy: -164.728 where: short stacking energy: -135.879 Base-Backbone interact. energy: 10.951 local terms energy: -316.663605 where: bonds (distance) C4'-P energy: -89.191 bonds (distance) P-C4' energy: -113.451 flat angles C4'-P-C4' energy: -92.502 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: 35.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2146.040259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.040259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.040259 (E_RNA) where: Base-Base interactions energy: -1482.080 where: short stacking energy: -617.778 Base-Backbone interact. energy: -0.331 local terms energy: -663.629440 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -128.075 flat angles C4'-P-C4' energy: -134.357 flat angles P-C4'-P energy: -94.524 tors. eta vs tors. theta energy: -176.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2017.622819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.622819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.622819 (E_RNA) where: Base-Base interactions energy: -1391.504 where: short stacking energy: -581.291 Base-Backbone interact. energy: 1.014 local terms energy: -627.132582 where: bonds (distance) C4'-P energy: -125.122 bonds (distance) P-C4' energy: -122.949 flat angles C4'-P-C4' energy: -130.551 flat angles P-C4'-P energy: -76.392 tors. eta vs tors. theta energy: -172.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1981.528859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.528859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.528859 (E_RNA) where: Base-Base interactions energy: -1375.367 where: short stacking energy: -573.296 Base-Backbone interact. energy: -0.614 local terms energy: -605.547479 where: bonds (distance) C4'-P energy: -88.918 bonds (distance) P-C4' energy: -130.887 flat angles C4'-P-C4' energy: -141.183 flat angles P-C4'-P energy: -90.419 tors. eta vs tors. theta energy: -154.141 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: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1873.349542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.349542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.349542 (E_RNA) where: Base-Base interactions energy: -1271.375 where: short stacking energy: -569.921 Base-Backbone interact. energy: 0.113 local terms energy: -602.087680 where: bonds (distance) C4'-P energy: -108.683 bonds (distance) P-C4' energy: -112.666 flat angles C4'-P-C4' energy: -125.846 flat angles P-C4'-P energy: -93.662 tors. eta vs tors. theta energy: -161.231 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1800.076807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.076807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.076807 (E_RNA) where: Base-Base interactions energy: -1205.250 where: short stacking energy: -546.436 Base-Backbone interact. energy: -3.160 local terms energy: -591.666833 where: bonds (distance) C4'-P energy: -117.341 bonds (distance) P-C4' energy: -98.212 flat angles C4'-P-C4' energy: -132.577 flat angles P-C4'-P energy: -83.804 tors. eta vs tors. theta energy: -159.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1523.440922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.440922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.440922 (E_RNA) where: Base-Base interactions energy: -978.752 where: short stacking energy: -471.921 Base-Backbone interact. energy: -2.512 local terms energy: -542.177156 where: bonds (distance) C4'-P energy: -111.920 bonds (distance) P-C4' energy: -117.194 flat angles C4'-P-C4' energy: -117.036 flat angles P-C4'-P energy: -72.393 tors. eta vs tors. theta energy: -123.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1188.247627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.247627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.247627 (E_RNA) where: Base-Base interactions energy: -725.086 where: short stacking energy: -397.464 Base-Backbone interact. energy: -2.472 local terms energy: -460.690019 where: bonds (distance) C4'-P energy: -103.756 bonds (distance) P-C4' energy: -102.325 flat angles C4'-P-C4' energy: -107.944 flat angles P-C4'-P energy: -65.032 tors. eta vs tors. theta energy: -81.633 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: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -871.885007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.885007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.885007 (E_RNA) where: Base-Base interactions energy: -476.268 where: short stacking energy: -255.422 Base-Backbone interact. energy: 1.685 local terms energy: -397.301917 where: bonds (distance) C4'-P energy: -95.238 bonds (distance) P-C4' energy: -110.188 flat angles C4'-P-C4' energy: -104.112 flat angles P-C4'-P energy: -60.299 tors. eta vs tors. theta energy: -27.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -953.671589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.671589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.671589 (E_RNA) where: Base-Base interactions energy: -573.351 where: short stacking energy: -266.122 Base-Backbone interact. energy: -0.068 local terms energy: -380.252213 where: bonds (distance) C4'-P energy: -89.433 bonds (distance) P-C4' energy: -100.926 flat angles C4'-P-C4' energy: -95.776 flat angles P-C4'-P energy: -69.395 tors. eta vs tors. theta energy: -24.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -506.464154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.464154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.464154 (E_RNA) where: Base-Base interactions energy: -190.071 where: short stacking energy: -161.048 Base-Backbone interact. energy: -0.894 local terms energy: -315.499380 where: bonds (distance) C4'-P energy: -88.489 bonds (distance) P-C4' energy: -109.904 flat angles C4'-P-C4' energy: -91.022 flat angles P-C4'-P energy: -39.887 tors. eta vs tors. theta energy: 13.802 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: 214 Temperature: 0.900000 Total energy: -2154.135255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.135255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.135255 (E_RNA) where: Base-Base interactions energy: -1488.132 where: short stacking energy: -621.164 Base-Backbone interact. energy: -3.018 local terms energy: -662.985408 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -130.074 flat angles C4'-P-C4' energy: -144.907 flat angles P-C4'-P energy: -88.309 tors. eta vs tors. theta energy: -183.967 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: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2058.006767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.006767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.006767 (E_RNA) where: Base-Base interactions energy: -1410.141 where: short stacking energy: -582.229 Base-Backbone interact. energy: -3.771 local terms energy: -644.094420 where: bonds (distance) C4'-P energy: -116.666 bonds (distance) P-C4' energy: -126.233 flat angles C4'-P-C4' energy: -141.240 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -164.991 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: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1973.421119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.421119 (E_RNA) where: Base-Base interactions energy: -1313.155 where: short stacking energy: -578.460 Base-Backbone interact. energy: -1.941 local terms energy: -658.325631 where: bonds (distance) C4'-P energy: -122.868 bonds (distance) P-C4' energy: -139.462 flat angles C4'-P-C4' energy: -140.958 flat angles P-C4'-P energy: -83.671 tors. eta vs tors. theta energy: -171.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1948.024158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.024158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.024158 (E_RNA) where: Base-Base interactions energy: -1351.488 where: short stacking energy: -572.249 Base-Backbone interact. energy: -2.400 local terms energy: -594.136613 where: bonds (distance) C4'-P energy: -110.794 bonds (distance) P-C4' energy: -118.000 flat angles C4'-P-C4' energy: -125.414 flat angles P-C4'-P energy: -85.331 tors. eta vs tors. theta energy: -154.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1761.552092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.552092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.552092 (E_RNA) where: Base-Base interactions energy: -1188.299 where: short stacking energy: -539.796 Base-Backbone interact. energy: -2.490 local terms energy: -570.762892 where: bonds (distance) C4'-P energy: -120.531 bonds (distance) P-C4' energy: -118.797 flat angles C4'-P-C4' energy: -120.808 flat angles P-C4'-P energy: -61.275 tors. eta vs tors. theta energy: -149.352 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: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1459.385768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.385768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.385768 (E_RNA) where: Base-Base interactions energy: -972.500 where: short stacking energy: -446.472 Base-Backbone interact. energy: 0.060 local terms energy: -486.945240 where: bonds (distance) C4'-P energy: -80.826 bonds (distance) P-C4' energy: -98.511 flat angles C4'-P-C4' energy: -133.253 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -100.322 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: 214 Temperature: 1.200000 Total energy: -1177.184925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.184925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.184925 (E_RNA) where: Base-Base interactions energy: -697.708 where: short stacking energy: -369.388 Base-Backbone interact. energy: -1.401 local terms energy: -478.076088 where: bonds (distance) C4'-P energy: -100.897 bonds (distance) P-C4' energy: -115.023 flat angles C4'-P-C4' energy: -111.337 flat angles P-C4'-P energy: -67.015 tors. eta vs tors. theta energy: -83.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -851.242035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.242035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.242035 (E_RNA) where: Base-Base interactions energy: -473.233 where: short stacking energy: -279.118 Base-Backbone interact. energy: 2.656 local terms energy: -380.664882 where: bonds (distance) C4'-P energy: -107.379 bonds (distance) P-C4' energy: -96.402 flat angles C4'-P-C4' energy: -90.297 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -33.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -915.510363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.510363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.510363 (E_RNA) where: Base-Base interactions energy: -506.790 where: short stacking energy: -276.009 Base-Backbone interact. energy: 0.297 local terms energy: -409.017476 where: bonds (distance) C4'-P energy: -92.523 bonds (distance) P-C4' energy: -98.868 flat angles C4'-P-C4' energy: -111.922 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -37.317 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: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -514.915301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.915301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.915301 (E_RNA) where: Base-Base interactions energy: -189.229 where: short stacking energy: -155.099 Base-Backbone interact. energy: 2.936 local terms energy: -328.621975 where: bonds (distance) C4'-P energy: -82.883 bonds (distance) P-C4' energy: -112.148 flat angles C4'-P-C4' energy: -79.743 flat angles P-C4'-P energy: -60.934 tors. eta vs tors. theta energy: 7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2167.328030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.328030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.328030 (E_RNA) where: Base-Base interactions energy: -1478.836 where: short stacking energy: -606.456 Base-Backbone interact. energy: -3.425 local terms energy: -685.066773 where: bonds (distance) C4'-P energy: -127.189 bonds (distance) P-C4' energy: -137.359 flat angles C4'-P-C4' energy: -131.454 flat angles P-C4'-P energy: -111.433 tors. eta vs tors. theta energy: -177.632 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: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2042.770805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.770805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.770805 (E_RNA) where: Base-Base interactions energy: -1395.067 where: short stacking energy: -571.099 Base-Backbone interact. energy: -1.496 local terms energy: -646.207801 where: bonds (distance) C4'-P energy: -116.007 bonds (distance) P-C4' energy: -141.868 flat angles C4'-P-C4' energy: -132.241 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -168.424 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: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1930.511763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.511763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.511763 (E_RNA) where: Base-Base interactions energy: -1326.732 where: short stacking energy: -563.345 Base-Backbone interact. energy: -2.079 local terms energy: -601.701045 where: bonds (distance) C4'-P energy: -125.033 bonds (distance) P-C4' energy: -106.754 flat angles C4'-P-C4' energy: -126.388 flat angles P-C4'-P energy: -87.732 tors. eta vs tors. theta energy: -155.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1910.385663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.385663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.385663 (E_RNA) where: Base-Base interactions energy: -1336.812 where: short stacking energy: -554.495 Base-Backbone interact. energy: -4.707 local terms energy: -568.866633 where: bonds (distance) C4'-P energy: -118.946 bonds (distance) P-C4' energy: -115.612 flat angles C4'-P-C4' energy: -122.990 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -140.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1815.812802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.812802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.812802 (E_RNA) where: Base-Base interactions energy: -1226.365 where: short stacking energy: -556.812 Base-Backbone interact. energy: 5.914 local terms energy: -595.361918 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -133.054 flat angles P-C4'-P energy: -88.881 tors. eta vs tors. theta energy: -141.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1465.230635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.230635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.230635 (E_RNA) where: Base-Base interactions energy: -984.203 where: short stacking energy: -447.713 Base-Backbone interact. energy: -0.898 local terms energy: -480.129673 where: bonds (distance) C4'-P energy: -94.278 bonds (distance) P-C4' energy: -91.381 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -67.821 tors. eta vs tors. theta energy: -105.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1160.555191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.555191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.555191 (E_RNA) where: Base-Base interactions energy: -705.055 where: short stacking energy: -359.149 Base-Backbone interact. energy: -3.142 local terms energy: -452.358047 where: bonds (distance) C4'-P energy: -96.965 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -112.230 flat angles P-C4'-P energy: -70.432 tors. eta vs tors. theta energy: -75.085 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: 215 Temperature: 1.250000 Total energy: -1050.533936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.533936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.533936 (E_RNA) where: Base-Base interactions energy: -624.585 where: short stacking energy: -300.726 Base-Backbone interact. energy: 1.539 local terms energy: -427.487997 where: bonds (distance) C4'-P energy: -106.186 bonds (distance) P-C4' energy: -117.435 flat angles C4'-P-C4' energy: -106.628 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -33.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -798.296619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.296619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.296619 (E_RNA) where: Base-Base interactions energy: -429.614 where: short stacking energy: -239.636 Base-Backbone interact. energy: 0.049 local terms energy: -368.731631 where: bonds (distance) C4'-P energy: -92.629 bonds (distance) P-C4' energy: -119.553 flat angles C4'-P-C4' energy: -85.923 flat angles P-C4'-P energy: -48.996 tors. eta vs tors. theta energy: -21.631 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: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -508.247999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.247999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.247999 (E_RNA) where: Base-Base interactions energy: -195.643 where: short stacking energy: -144.109 Base-Backbone interact. energy: -0.266 local terms energy: -312.338558 where: bonds (distance) C4'-P energy: -94.160 bonds (distance) P-C4' energy: -111.443 flat angles C4'-P-C4' energy: -91.169 flat angles P-C4'-P energy: -35.109 tors. eta vs tors. theta energy: 19.542 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: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2142.882035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.882035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.882035 (E_RNA) where: Base-Base interactions energy: -1489.606 where: short stacking energy: -610.082 Base-Backbone interact. energy: -1.397 local terms energy: -651.879195 where: bonds (distance) C4'-P energy: -117.420 bonds (distance) P-C4' energy: -125.516 flat angles C4'-P-C4' energy: -145.100 flat angles P-C4'-P energy: -84.293 tors. eta vs tors. theta energy: -179.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2033.128060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.128060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.128060 (E_RNA) where: Base-Base interactions energy: -1375.609 where: short stacking energy: -597.855 Base-Backbone interact. energy: -0.823 local terms energy: -656.696400 where: bonds (distance) C4'-P energy: -121.222 bonds (distance) P-C4' energy: -141.373 flat angles C4'-P-C4' energy: -139.280 flat angles P-C4'-P energy: -81.239 tors. eta vs tors. theta energy: -173.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1952.392207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.392207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.392207 (E_RNA) where: Base-Base interactions energy: -1322.541 where: short stacking energy: -579.583 Base-Backbone interact. energy: -2.568 local terms energy: -627.283174 where: bonds (distance) C4'-P energy: -129.057 bonds (distance) P-C4' energy: -116.807 flat angles C4'-P-C4' energy: -133.214 flat angles P-C4'-P energy: -98.896 tors. eta vs tors. theta energy: -149.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1883.622801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.622801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.622801 (E_RNA) where: Base-Base interactions energy: -1296.114 where: short stacking energy: -558.566 Base-Backbone interact. energy: -1.988 local terms energy: -585.521112 where: bonds (distance) C4'-P energy: -102.968 bonds (distance) P-C4' energy: -112.734 flat angles C4'-P-C4' energy: -142.133 flat angles P-C4'-P energy: -78.453 tors. eta vs tors. theta energy: -149.234 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: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1748.449404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.449404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.449404 (E_RNA) where: Base-Base interactions energy: -1159.279 where: short stacking energy: -536.002 Base-Backbone interact. energy: -2.936 local terms energy: -586.234351 where: bonds (distance) C4'-P energy: -117.205 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -110.870 flat angles P-C4'-P energy: -86.848 tors. eta vs tors. theta energy: -147.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1482.730790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.730790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.730790 (E_RNA) where: Base-Base interactions energy: -941.430 where: short stacking energy: -441.493 Base-Backbone interact. energy: 1.006 local terms energy: -542.307162 where: bonds (distance) C4'-P energy: -87.814 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -129.037 flat angles P-C4'-P energy: -80.493 tors. eta vs tors. theta energy: -114.638 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: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1282.409690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.409690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.409690 (E_RNA) where: Base-Base interactions energy: -829.232 where: short stacking energy: -359.996 Base-Backbone interact. energy: -3.644 local terms energy: -449.533658 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -113.147 flat angles C4'-P-C4' energy: -124.815 flat angles P-C4'-P energy: -54.467 tors. eta vs tors. theta energy: -60.292 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: 216 Temperature: 1.250000 Total energy: -1137.599152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.599152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.599152 (E_RNA) where: Base-Base interactions energy: -692.562 where: short stacking energy: -347.454 Base-Backbone interact. energy: -1.316 local terms energy: -443.720592 where: bonds (distance) C4'-P energy: -105.832 bonds (distance) P-C4' energy: -116.538 flat angles C4'-P-C4' energy: -98.401 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -54.379 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: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -759.304547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.304547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.304547 (E_RNA) where: Base-Base interactions energy: -388.743 where: short stacking energy: -191.850 Base-Backbone interact. energy: 1.040 local terms energy: -371.602057 where: bonds (distance) C4'-P energy: -101.499 bonds (distance) P-C4' energy: -101.819 flat angles C4'-P-C4' energy: -105.265 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: -11.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -533.587059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.587059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.587059 (E_RNA) where: Base-Base interactions energy: -206.461 where: short stacking energy: -152.171 Base-Backbone interact. energy: 3.115 local terms energy: -330.241476 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -89.134 flat angles C4'-P-C4' energy: -89.948 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: 15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2123.262556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.262556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.262556 (E_RNA) where: Base-Base interactions energy: -1454.791 where: short stacking energy: -591.972 Base-Backbone interact. energy: -10.666 local terms energy: -657.805740 where: bonds (distance) C4'-P energy: -124.359 bonds (distance) P-C4' energy: -126.122 flat angles C4'-P-C4' energy: -143.435 flat angles P-C4'-P energy: -99.191 tors. eta vs tors. theta energy: -164.699 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2064.120864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.120864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.120864 (E_RNA) where: Base-Base interactions energy: -1431.746 where: short stacking energy: -627.443 Base-Backbone interact. energy: -6.503 local terms energy: -625.871724 where: bonds (distance) C4'-P energy: -115.836 bonds (distance) P-C4' energy: -100.864 flat angles C4'-P-C4' energy: -139.091 flat angles P-C4'-P energy: -91.233 tors. eta vs tors. theta energy: -178.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1932.905146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.905146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.905146 (E_RNA) where: Base-Base interactions energy: -1327.499 where: short stacking energy: -588.152 Base-Backbone interact. energy: -2.926 local terms energy: -602.479670 where: bonds (distance) C4'-P energy: -121.340 bonds (distance) P-C4' energy: -111.833 flat angles C4'-P-C4' energy: -132.267 flat angles P-C4'-P energy: -72.061 tors. eta vs tors. theta energy: -164.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1875.632612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.632612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.632612 (E_RNA) where: Base-Base interactions energy: -1302.776 where: short stacking energy: -548.956 Base-Backbone interact. energy: 0.355 local terms energy: -573.211562 where: bonds (distance) C4'-P energy: -118.812 bonds (distance) P-C4' energy: -113.434 flat angles C4'-P-C4' energy: -121.267 flat angles P-C4'-P energy: -84.152 tors. eta vs tors. theta energy: -135.547 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: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1758.132875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.132875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.132875 (E_RNA) where: Base-Base interactions energy: -1193.526 where: short stacking energy: -514.460 Base-Backbone interact. energy: -2.052 local terms energy: -562.555388 where: bonds (distance) C4'-P energy: -96.577 bonds (distance) P-C4' energy: -112.830 flat angles C4'-P-C4' energy: -123.321 flat angles P-C4'-P energy: -84.536 tors. eta vs tors. theta energy: -145.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1431.395026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.395026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.395026 (E_RNA) where: Base-Base interactions energy: -927.359 where: short stacking energy: -421.829 Base-Backbone interact. energy: -0.132 local terms energy: -503.904560 where: bonds (distance) C4'-P energy: -110.269 bonds (distance) P-C4' energy: -114.580 flat angles C4'-P-C4' energy: -106.393 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -93.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1240.516696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.516696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.516696 (E_RNA) where: Base-Base interactions energy: -788.335 where: short stacking energy: -369.785 Base-Backbone interact. energy: 0.778 local terms energy: -452.960001 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -109.279 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: -81.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1076.320180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.320180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.320180 (E_RNA) where: Base-Base interactions energy: -670.846 where: short stacking energy: -342.654 Base-Backbone interact. energy: -0.745 local terms energy: -404.728530 where: bonds (distance) C4'-P energy: -100.099 bonds (distance) P-C4' energy: -105.745 flat angles C4'-P-C4' energy: -77.909 flat angles P-C4'-P energy: -60.412 tors. eta vs tors. theta energy: -60.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -792.159436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.159436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.159436 (E_RNA) where: Base-Base interactions energy: -394.735 where: short stacking energy: -232.247 Base-Backbone interact. energy: 0.248 local terms energy: -397.672330 where: bonds (distance) C4'-P energy: -107.035 bonds (distance) P-C4' energy: -113.463 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -62.856 tors. eta vs tors. theta energy: -15.915 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: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -532.420488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.420488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.420488 (E_RNA) where: Base-Base interactions energy: -206.580 where: short stacking energy: -177.413 Base-Backbone interact. energy: 0.058 local terms energy: -325.897617 where: bonds (distance) C4'-P energy: -100.538 bonds (distance) P-C4' energy: -98.075 flat angles C4'-P-C4' energy: -104.068 flat angles P-C4'-P energy: -53.193 tors. eta vs tors. theta energy: 29.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2154.279481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.279481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.279481 (E_RNA) where: Base-Base interactions energy: -1463.205 where: short stacking energy: -631.456 Base-Backbone interact. energy: -6.903 local terms energy: -684.171811 where: bonds (distance) C4'-P energy: -129.755 bonds (distance) P-C4' energy: -126.895 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -189.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2047.596409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.596409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.596409 (E_RNA) where: Base-Base interactions energy: -1397.381 where: short stacking energy: -612.319 Base-Backbone interact. energy: -3.122 local terms energy: -647.093501 where: bonds (distance) C4'-P energy: -120.449 bonds (distance) P-C4' energy: -125.406 flat angles C4'-P-C4' energy: -141.526 flat angles P-C4'-P energy: -89.441 tors. eta vs tors. theta energy: -170.271 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: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2003.891496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.891496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.891496 (E_RNA) where: Base-Base interactions energy: -1360.708 where: short stacking energy: -580.325 Base-Backbone interact. energy: 0.701 local terms energy: -643.884839 where: bonds (distance) C4'-P energy: -120.510 bonds (distance) P-C4' energy: -125.906 flat angles C4'-P-C4' energy: -127.129 flat angles P-C4'-P energy: -91.755 tors. eta vs tors. theta energy: -178.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1896.393171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.393171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.393171 (E_RNA) where: Base-Base interactions energy: -1296.506 where: short stacking energy: -548.673 Base-Backbone interact. energy: -3.895 local terms energy: -595.991768 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -131.717 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -149.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1719.807184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.807184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.807184 (E_RNA) where: Base-Base interactions energy: -1136.579 where: short stacking energy: -512.627 Base-Backbone interact. energy: 0.439 local terms energy: -583.667535 where: bonds (distance) C4'-P energy: -101.483 bonds (distance) P-C4' energy: -113.323 flat angles C4'-P-C4' energy: -128.232 flat angles P-C4'-P energy: -92.265 tors. eta vs tors. theta energy: -148.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1466.298605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.298605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.298605 (E_RNA) where: Base-Base interactions energy: -956.018 where: short stacking energy: -434.331 Base-Backbone interact. energy: 8.613 local terms energy: -518.892891 where: bonds (distance) C4'-P energy: -109.445 bonds (distance) P-C4' energy: -128.470 flat angles C4'-P-C4' energy: -106.167 flat angles P-C4'-P energy: -79.542 tors. eta vs tors. theta energy: -95.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1244.298897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.298897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.298897 (E_RNA) where: Base-Base interactions energy: -780.328 where: short stacking energy: -332.062 Base-Backbone interact. energy: 2.073 local terms energy: -466.044079 where: bonds (distance) C4'-P energy: -117.027 bonds (distance) P-C4' energy: -107.504 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -59.822 tors. eta vs tors. theta energy: -72.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1008.003286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.003286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.003286 (E_RNA) where: Base-Base interactions energy: -573.766 where: short stacking energy: -286.046 Base-Backbone interact. energy: -1.923 local terms energy: -432.314537 where: bonds (distance) C4'-P energy: -104.139 bonds (distance) P-C4' energy: -112.869 flat angles C4'-P-C4' energy: -106.519 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -36.681 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: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -735.230462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.230462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.230462 (E_RNA) where: Base-Base interactions energy: -383.833 where: short stacking energy: -190.679 Base-Backbone interact. energy: 0.937 local terms energy: -352.335071 where: bonds (distance) C4'-P energy: -97.603 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -99.442 flat angles P-C4'-P energy: -62.524 tors. eta vs tors. theta energy: 0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -490.144272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.144272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.144272 (E_RNA) where: Base-Base interactions energy: -184.918 where: short stacking energy: -142.681 Base-Backbone interact. energy: -1.503 local terms energy: -303.723175 where: bonds (distance) C4'-P energy: -92.814 bonds (distance) P-C4' energy: -103.342 flat angles C4'-P-C4' energy: -88.090 flat angles P-C4'-P energy: -49.724 tors. eta vs tors. theta energy: 30.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2091.393024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.393024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.393024 (E_RNA) where: Base-Base interactions energy: -1446.123 where: short stacking energy: -601.228 Base-Backbone interact. energy: -2.353 local terms energy: -642.917368 where: bonds (distance) C4'-P energy: -115.002 bonds (distance) P-C4' energy: -123.491 flat angles C4'-P-C4' energy: -132.594 flat angles P-C4'-P energy: -97.127 tors. eta vs tors. theta energy: -174.703 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: 219 Temperature: 0.950000 Total energy: -2035.142345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.142345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.142345 (E_RNA) where: Base-Base interactions energy: -1392.615 where: short stacking energy: -598.073 Base-Backbone interact. energy: -0.067 local terms energy: -642.459975 where: bonds (distance) C4'-P energy: -132.201 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -124.519 flat angles P-C4'-P energy: -98.219 tors. eta vs tors. theta energy: -161.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1986.124241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.124241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.124241 (E_RNA) where: Base-Base interactions energy: -1366.220 where: short stacking energy: -601.201 Base-Backbone interact. energy: -0.648 local terms energy: -619.256812 where: bonds (distance) C4'-P energy: -109.032 bonds (distance) P-C4' energy: -126.869 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -80.972 tors. eta vs tors. theta energy: -163.256 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: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1855.607846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.607846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.607846 (E_RNA) where: Base-Base interactions energy: -1275.182 where: short stacking energy: -516.824 Base-Backbone interact. energy: -2.373 local terms energy: -578.052993 where: bonds (distance) C4'-P energy: -100.487 bonds (distance) P-C4' energy: -126.350 flat angles C4'-P-C4' energy: -114.658 flat angles P-C4'-P energy: -85.968 tors. eta vs tors. theta energy: -150.591 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: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1747.867597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.867597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.867597 (E_RNA) where: Base-Base interactions energy: -1156.975 where: short stacking energy: -522.594 Base-Backbone interact. energy: -1.686 local terms energy: -589.205942 where: bonds (distance) C4'-P energy: -108.652 bonds (distance) P-C4' energy: -121.574 flat angles C4'-P-C4' energy: -122.930 flat angles P-C4'-P energy: -76.272 tors. eta vs tors. theta energy: -159.778 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: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1467.221317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.221317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.221317 (E_RNA) where: Base-Base interactions energy: -973.826 where: short stacking energy: -438.877 Base-Backbone interact. energy: -1.422 local terms energy: -491.973551 where: bonds (distance) C4'-P energy: -97.761 bonds (distance) P-C4' energy: -118.202 flat angles C4'-P-C4' energy: -113.451 flat angles P-C4'-P energy: -62.461 tors. eta vs tors. theta energy: -100.098 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: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1301.688215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.688215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.688215 (E_RNA) where: Base-Base interactions energy: -856.521 where: short stacking energy: -388.945 Base-Backbone interact. energy: 5.943 local terms energy: -451.110290 where: bonds (distance) C4'-P energy: -105.568 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -94.647 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -64.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1018.855589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.855589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.855589 (E_RNA) where: Base-Base interactions energy: -597.879 where: short stacking energy: -299.385 Base-Backbone interact. energy: -1.272 local terms energy: -419.704087 where: bonds (distance) C4'-P energy: -103.615 bonds (distance) P-C4' energy: -91.151 flat angles C4'-P-C4' energy: -106.811 flat angles P-C4'-P energy: -67.367 tors. eta vs tors. theta energy: -50.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -768.571156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.571156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.571156 (E_RNA) where: Base-Base interactions energy: -373.159 where: short stacking energy: -226.971 Base-Backbone interact. energy: 1.392 local terms energy: -396.804155 where: bonds (distance) C4'-P energy: -106.034 bonds (distance) P-C4' energy: -99.942 flat angles C4'-P-C4' energy: -119.186 flat angles P-C4'-P energy: -55.572 tors. eta vs tors. theta energy: -16.070 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: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -553.024094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.024094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.024094 (E_RNA) where: Base-Base interactions energy: -195.561 where: short stacking energy: -173.423 Base-Backbone interact. energy: -3.745 local terms energy: -353.717794 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -100.942 flat angles C4'-P-C4' energy: -97.145 flat angles P-C4'-P energy: -50.375 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2110.969153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.969153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.969153 (E_RNA) where: Base-Base interactions energy: -1452.801 where: short stacking energy: -610.507 Base-Backbone interact. energy: -3.293 local terms energy: -654.875457 where: bonds (distance) C4'-P energy: -129.135 bonds (distance) P-C4' energy: -121.023 flat angles C4'-P-C4' energy: -140.820 flat angles P-C4'-P energy: -90.212 tors. eta vs tors. theta energy: -173.685 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: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2036.661846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.661846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.661846 (E_RNA) where: Base-Base interactions energy: -1391.970 where: short stacking energy: -605.718 Base-Backbone interact. energy: -5.083 local terms energy: -639.608920 where: bonds (distance) C4'-P energy: -119.955 bonds (distance) P-C4' energy: -128.628 flat angles C4'-P-C4' energy: -141.107 flat angles P-C4'-P energy: -84.572 tors. eta vs tors. theta energy: -165.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1975.049688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.049688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.049688 (E_RNA) where: Base-Base interactions energy: -1344.635 where: short stacking energy: -581.088 Base-Backbone interact. energy: -1.824 local terms energy: -628.591042 where: bonds (distance) C4'-P energy: -113.579 bonds (distance) P-C4' energy: -115.958 flat angles C4'-P-C4' energy: -130.529 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -179.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1870.462946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.462946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.462946 (E_RNA) where: Base-Base interactions energy: -1279.333 where: short stacking energy: -530.316 Base-Backbone interact. energy: -2.770 local terms energy: -588.360650 where: bonds (distance) C4'-P energy: -115.316 bonds (distance) P-C4' energy: -115.481 flat angles C4'-P-C4' energy: -129.233 flat angles P-C4'-P energy: -78.561 tors. eta vs tors. theta energy: -149.770 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: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1765.834575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.834575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.834575 (E_RNA) where: Base-Base interactions energy: -1204.254 where: short stacking energy: -544.007 Base-Backbone interact. energy: -0.654 local terms energy: -560.925738 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -100.064 flat angles C4'-P-C4' energy: -120.905 flat angles P-C4'-P energy: -84.647 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: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1443.339690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.339690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.339690 (E_RNA) where: Base-Base interactions energy: -940.815 where: short stacking energy: -405.421 Base-Backbone interact. energy: -1.141 local terms energy: -501.384125 where: bonds (distance) C4'-P energy: -107.608 bonds (distance) P-C4' energy: -116.285 flat angles C4'-P-C4' energy: -116.503 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -95.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1217.634306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.634306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.634306 (E_RNA) where: Base-Base interactions energy: -768.488 where: short stacking energy: -343.740 Base-Backbone interact. energy: -3.831 local terms energy: -445.314992 where: bonds (distance) C4'-P energy: -108.069 bonds (distance) P-C4' energy: -102.546 flat angles C4'-P-C4' energy: -107.609 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -62.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -965.576461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.576461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.576461 (E_RNA) where: Base-Base interactions energy: -547.139 where: short stacking energy: -267.280 Base-Backbone interact. energy: 5.073 local terms energy: -423.510669 where: bonds (distance) C4'-P energy: -106.522 bonds (distance) P-C4' energy: -111.804 flat angles C4'-P-C4' energy: -108.440 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -37.224 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: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -704.812971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.812971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.812971 (E_RNA) where: Base-Base interactions energy: -355.115 where: short stacking energy: -207.860 Base-Backbone interact. energy: -0.623 local terms energy: -349.074867 where: bonds (distance) C4'-P energy: -98.978 bonds (distance) P-C4' energy: -113.663 flat angles C4'-P-C4' energy: -96.821 flat angles P-C4'-P energy: -48.668 tors. eta vs tors. theta energy: 9.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -491.223308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.223308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.223308 (E_RNA) where: Base-Base interactions energy: -174.106 where: short stacking energy: -137.611 Base-Backbone interact. energy: 3.567 local terms energy: -320.684836 where: bonds (distance) C4'-P energy: -96.088 bonds (distance) P-C4' energy: -104.617 flat angles C4'-P-C4' energy: -77.964 flat angles P-C4'-P energy: -62.219 tors. eta vs tors. theta energy: 20.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2134.301877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.301877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.301877 (E_RNA) where: Base-Base interactions energy: -1479.049 where: short stacking energy: -605.940 Base-Backbone interact. energy: -7.449 local terms energy: -647.804527 where: bonds (distance) C4'-P energy: -128.562 bonds (distance) P-C4' energy: -122.250 flat angles C4'-P-C4' energy: -139.238 flat angles P-C4'-P energy: -92.155 tors. eta vs tors. theta energy: -165.599 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: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2014.471361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.471361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.471361 (E_RNA) where: Base-Base interactions energy: -1381.832 where: short stacking energy: -589.418 Base-Backbone interact. energy: -0.254 local terms energy: -632.385799 where: bonds (distance) C4'-P energy: -118.944 bonds (distance) P-C4' energy: -129.161 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -88.633 tors. eta vs tors. theta energy: -169.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1967.460497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.460497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.460497 (E_RNA) where: Base-Base interactions energy: -1351.063 where: short stacking energy: -572.224 Base-Backbone interact. energy: -2.653 local terms energy: -613.744361 where: bonds (distance) C4'-P energy: -105.868 bonds (distance) P-C4' energy: -123.458 flat angles C4'-P-C4' energy: -141.086 flat angles P-C4'-P energy: -73.981 tors. eta vs tors. theta energy: -169.352 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: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1861.625171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.625171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.625171 (E_RNA) where: Base-Base interactions energy: -1235.316 where: short stacking energy: -557.476 Base-Backbone interact. energy: -1.960 local terms energy: -624.349152 where: bonds (distance) C4'-P energy: -105.154 bonds (distance) P-C4' energy: -117.531 flat angles C4'-P-C4' energy: -140.094 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -167.509 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: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1825.330784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.330784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.330784 (E_RNA) where: Base-Base interactions energy: -1240.534 where: short stacking energy: -507.641 Base-Backbone interact. energy: -1.437 local terms energy: -583.359686 where: bonds (distance) C4'-P energy: -126.032 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -126.749 flat angles P-C4'-P energy: -71.731 tors. eta vs tors. theta energy: -133.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1453.208868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.208868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.208868 (E_RNA) where: Base-Base interactions energy: -957.015 where: short stacking energy: -426.317 Base-Backbone interact. energy: -1.580 local terms energy: -494.613717 where: bonds (distance) C4'-P energy: -112.424 bonds (distance) P-C4' energy: -111.136 flat angles C4'-P-C4' energy: -108.291 flat angles P-C4'-P energy: -68.666 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: 7, replica: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1200.756947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.756947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.756947 (E_RNA) where: Base-Base interactions energy: -730.584 where: short stacking energy: -348.745 Base-Backbone interact. energy: 1.243 local terms energy: -471.415192 where: bonds (distance) C4'-P energy: -106.726 bonds (distance) P-C4' energy: -103.205 flat angles C4'-P-C4' energy: -115.338 flat angles P-C4'-P energy: -62.196 tors. eta vs tors. theta energy: -83.950 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: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1013.486645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.486645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.486645 (E_RNA) where: Base-Base interactions energy: -613.117 where: short stacking energy: -291.508 Base-Backbone interact. energy: -1.797 local terms energy: -398.572827 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -102.515 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -34.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -747.314142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.314142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.314142 (E_RNA) where: Base-Base interactions energy: -369.361 where: short stacking energy: -200.918 Base-Backbone interact. energy: 1.618 local terms energy: -379.570508 where: bonds (distance) C4'-P energy: -86.235 bonds (distance) P-C4' energy: -110.365 flat angles C4'-P-C4' energy: -107.456 flat angles P-C4'-P energy: -66.132 tors. eta vs tors. theta energy: -9.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -481.576496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.576496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.576496 (E_RNA) where: Base-Base interactions energy: -186.483 where: short stacking energy: -153.819 Base-Backbone interact. energy: -3.580 local terms energy: -291.513303 where: bonds (distance) C4'-P energy: -74.398 bonds (distance) P-C4' energy: -100.134 flat angles C4'-P-C4' energy: -81.452 flat angles P-C4'-P energy: -59.578 tors. eta vs tors. theta energy: 24.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2133.621520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.621520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.621520 (E_RNA) where: Base-Base interactions energy: -1484.046 where: short stacking energy: -603.127 Base-Backbone interact. energy: -3.336 local terms energy: -646.239695 where: bonds (distance) C4'-P energy: -120.286 bonds (distance) P-C4' energy: -124.371 flat angles C4'-P-C4' energy: -142.402 flat angles P-C4'-P energy: -86.798 tors. eta vs tors. theta energy: -172.383 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: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2026.181020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.181020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.181020 (E_RNA) where: Base-Base interactions energy: -1362.986 where: short stacking energy: -606.721 Base-Backbone interact. energy: -3.499 local terms energy: -659.695150 where: bonds (distance) C4'-P energy: -118.301 bonds (distance) P-C4' energy: -125.080 flat angles C4'-P-C4' energy: -137.489 flat angles P-C4'-P energy: -90.405 tors. eta vs tors. theta energy: -188.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1969.721895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.721895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.721895 (E_RNA) where: Base-Base interactions energy: -1366.691 where: short stacking energy: -576.703 Base-Backbone interact. energy: -1.889 local terms energy: -601.142094 where: bonds (distance) C4'-P energy: -107.491 bonds (distance) P-C4' energy: -125.118 flat angles C4'-P-C4' energy: -132.810 flat angles P-C4'-P energy: -72.711 tors. eta vs tors. theta energy: -163.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1907.618506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.618506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.618506 (E_RNA) where: Base-Base interactions energy: -1289.483 where: short stacking energy: -560.261 Base-Backbone interact. energy: -2.503 local terms energy: -615.633273 where: bonds (distance) C4'-P energy: -120.603 bonds (distance) P-C4' energy: -99.595 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -86.501 tors. eta vs tors. theta energy: -172.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1793.577318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.577318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.577318 (E_RNA) where: Base-Base interactions energy: -1223.169 where: short stacking energy: -513.141 Base-Backbone interact. energy: -3.186 local terms energy: -567.222619 where: bonds (distance) C4'-P energy: -112.533 bonds (distance) P-C4' energy: -130.169 flat angles C4'-P-C4' energy: -128.031 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -126.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1471.960263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.960263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.960263 (E_RNA) where: Base-Base interactions energy: -959.266 where: short stacking energy: -442.010 Base-Backbone interact. energy: 4.000 local terms energy: -516.693812 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -108.623 flat angles C4'-P-C4' energy: -123.782 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -99.424 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: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1158.540148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.540148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.540148 (E_RNA) where: Base-Base interactions energy: -715.429 where: short stacking energy: -330.644 Base-Backbone interact. energy: 2.534 local terms energy: -445.644970 where: bonds (distance) C4'-P energy: -112.994 bonds (distance) P-C4' energy: -120.144 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -58.712 tors. eta vs tors. theta energy: -53.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -971.545083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.545083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.545083 (E_RNA) where: Base-Base interactions energy: -558.119 where: short stacking energy: -273.909 Base-Backbone interact. energy: -2.687 local terms energy: -410.739387 where: bonds (distance) C4'-P energy: -107.744 bonds (distance) P-C4' energy: -122.258 flat angles C4'-P-C4' energy: -90.359 flat angles P-C4'-P energy: -54.921 tors. eta vs tors. theta energy: -35.458 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: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -751.224480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.224480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.224480 (E_RNA) where: Base-Base interactions energy: -366.284 where: short stacking energy: -218.627 Base-Backbone interact. energy: 1.346 local terms energy: -386.286594 where: bonds (distance) C4'-P energy: -99.590 bonds (distance) P-C4' energy: -112.441 flat angles C4'-P-C4' energy: -99.926 flat angles P-C4'-P energy: -59.881 tors. eta vs tors. theta energy: -14.448 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: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -492.986395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.986395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.986395 (E_RNA) where: Base-Base interactions energy: -188.883 where: short stacking energy: -155.111 Base-Backbone interact. energy: 1.038 local terms energy: -305.142131 where: bonds (distance) C4'-P energy: -85.687 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -44.585 tors. eta vs tors. theta energy: 19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2138.871066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.871066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.871066 (E_RNA) where: Base-Base interactions energy: -1480.912 where: short stacking energy: -607.456 Base-Backbone interact. energy: -8.465 local terms energy: -649.493855 where: bonds (distance) C4'-P energy: -126.381 bonds (distance) P-C4' energy: -119.354 flat angles C4'-P-C4' energy: -138.433 flat angles P-C4'-P energy: -94.206 tors. eta vs tors. theta energy: -171.119 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: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2046.247802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.247802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.247802 (E_RNA) where: Base-Base interactions energy: -1396.756 where: short stacking energy: -593.512 Base-Backbone interact. energy: -1.790 local terms energy: -647.701191 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -141.246 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -175.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1985.522297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.522297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.522297 (E_RNA) where: Base-Base interactions energy: -1344.016 where: short stacking energy: -587.992 Base-Backbone interact. energy: -0.793 local terms energy: -640.713025 where: bonds (distance) C4'-P energy: -116.477 bonds (distance) P-C4' energy: -129.892 flat angles C4'-P-C4' energy: -138.912 flat angles P-C4'-P energy: -83.841 tors. eta vs tors. theta energy: -171.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1897.260748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.260748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.260748 (E_RNA) where: Base-Base interactions energy: -1271.325 where: short stacking energy: -560.759 Base-Backbone interact. energy: -2.303 local terms energy: -623.633282 where: bonds (distance) C4'-P energy: -118.404 bonds (distance) P-C4' energy: -122.191 flat angles C4'-P-C4' energy: -127.519 flat angles P-C4'-P energy: -87.854 tors. eta vs tors. theta energy: -167.665 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: 223 Temperature: 1.100000 Total energy: -1761.756705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.756705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.756705 (E_RNA) where: Base-Base interactions energy: -1187.539 where: short stacking energy: -530.342 Base-Backbone interact. energy: -5.426 local terms energy: -568.792249 where: bonds (distance) C4'-P energy: -114.061 bonds (distance) P-C4' energy: -112.962 flat angles C4'-P-C4' energy: -123.248 flat angles P-C4'-P energy: -75.232 tors. eta vs tors. theta energy: -143.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1566.467690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.467690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.467690 (E_RNA) where: Base-Base interactions energy: -1024.061 where: short stacking energy: -459.635 Base-Backbone interact. energy: -4.044 local terms energy: -538.362730 where: bonds (distance) C4'-P energy: -103.966 bonds (distance) P-C4' energy: -122.516 flat angles C4'-P-C4' energy: -115.090 flat angles P-C4'-P energy: -78.417 tors. eta vs tors. theta energy: -118.374 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: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1136.549106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.549106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.549106 (E_RNA) where: Base-Base interactions energy: -675.795 where: short stacking energy: -335.245 Base-Backbone interact. energy: -1.651 local terms energy: -459.102778 where: bonds (distance) C4'-P energy: -91.718 bonds (distance) P-C4' energy: -129.651 flat angles C4'-P-C4' energy: -106.085 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: -57.726 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: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -956.280274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.280274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.280274 (E_RNA) where: Base-Base interactions energy: -547.316 where: short stacking energy: -266.303 Base-Backbone interact. energy: -3.268 local terms energy: -405.695911 where: bonds (distance) C4'-P energy: -99.608 bonds (distance) P-C4' energy: -117.488 flat angles C4'-P-C4' energy: -92.133 flat angles P-C4'-P energy: -64.246 tors. eta vs tors. theta energy: -32.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -762.756240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.756240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.756240 (E_RNA) where: Base-Base interactions energy: -380.186 where: short stacking energy: -217.929 Base-Backbone interact. energy: 0.148 local terms energy: -382.718198 where: bonds (distance) C4'-P energy: -108.139 bonds (distance) P-C4' energy: -114.831 flat angles C4'-P-C4' energy: -104.805 flat angles P-C4'-P energy: -37.390 tors. eta vs tors. theta energy: -17.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -462.584236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.584236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.584236 (E_RNA) where: Base-Base interactions energy: -182.012 where: short stacking energy: -166.322 Base-Backbone interact. energy: -1.860 local terms energy: -278.712581 where: bonds (distance) C4'-P energy: -89.045 bonds (distance) P-C4' energy: -101.455 flat angles C4'-P-C4' energy: -61.556 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: 11.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2119.366905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.366905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.366905 (E_RNA) where: Base-Base interactions energy: -1449.091 where: short stacking energy: -593.395 Base-Backbone interact. energy: -5.721 local terms energy: -664.554759 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -122.814 flat angles C4'-P-C4' energy: -136.072 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -171.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2066.100297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.100297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.100297 (E_RNA) where: Base-Base interactions energy: -1421.498 where: short stacking energy: -611.938 Base-Backbone interact. energy: 2.556 local terms energy: -647.158385 where: bonds (distance) C4'-P energy: -126.514 bonds (distance) P-C4' energy: -110.170 flat angles C4'-P-C4' energy: -139.676 flat angles P-C4'-P energy: -90.800 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: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1998.897180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.897180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.897180 (E_RNA) where: Base-Base interactions energy: -1344.862 where: short stacking energy: -592.725 Base-Backbone interact. energy: -0.203 local terms energy: -653.832133 where: bonds (distance) C4'-P energy: -119.837 bonds (distance) P-C4' energy: -143.207 flat angles C4'-P-C4' energy: -140.466 flat angles P-C4'-P energy: -71.558 tors. eta vs tors. theta energy: -178.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1951.607327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.607327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.607327 (E_RNA) where: Base-Base interactions energy: -1314.807 where: short stacking energy: -561.407 Base-Backbone interact. energy: -2.359 local terms energy: -634.441243 where: bonds (distance) C4'-P energy: -129.176 bonds (distance) P-C4' energy: -112.601 flat angles C4'-P-C4' energy: -133.467 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: -166.632 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: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1795.932165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.932165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.932165 (E_RNA) where: Base-Base interactions energy: -1240.348 where: short stacking energy: -516.273 Base-Backbone interact. energy: -1.366 local terms energy: -554.218251 where: bonds (distance) C4'-P energy: -104.252 bonds (distance) P-C4' energy: -108.467 flat angles C4'-P-C4' energy: -122.120 flat angles P-C4'-P energy: -85.336 tors. eta vs tors. theta energy: -134.043 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: 10 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1510.921682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.921682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.921682 (E_RNA) where: Base-Base interactions energy: -1016.117 where: short stacking energy: -398.092 Base-Backbone interact. energy: -3.561 local terms energy: -491.244278 where: bonds (distance) C4'-P energy: -105.155 bonds (distance) P-C4' energy: -117.144 flat angles C4'-P-C4' energy: -106.516 flat angles P-C4'-P energy: -79.669 tors. eta vs tors. theta energy: -82.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1195.894414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.894414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.894414 (E_RNA) where: Base-Base interactions energy: -719.171 where: short stacking energy: -361.266 Base-Backbone interact. energy: -1.620 local terms energy: -475.102876 where: bonds (distance) C4'-P energy: -103.624 bonds (distance) P-C4' energy: -102.498 flat angles C4'-P-C4' energy: -124.589 flat angles P-C4'-P energy: -69.022 tors. eta vs tors. theta energy: -75.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1021.825481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.825481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.825481 (E_RNA) where: Base-Base interactions energy: -590.137 where: short stacking energy: -306.528 Base-Backbone interact. energy: -1.264 local terms energy: -430.425323 where: bonds (distance) C4'-P energy: -88.944 bonds (distance) P-C4' energy: -103.083 flat angles C4'-P-C4' energy: -126.917 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -49.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -735.084273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.084273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.084273 (E_RNA) where: Base-Base interactions energy: -349.274 where: short stacking energy: -190.502 Base-Backbone interact. energy: -1.695 local terms energy: -384.114797 where: bonds (distance) C4'-P energy: -99.627 bonds (distance) P-C4' energy: -115.510 flat angles C4'-P-C4' energy: -111.145 flat angles P-C4'-P energy: -57.231 tors. eta vs tors. theta energy: -0.601 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: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -501.394916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.394916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.394916 (E_RNA) where: Base-Base interactions energy: -179.745 where: short stacking energy: -150.591 Base-Backbone interact. energy: 5.509 local terms energy: -327.158687 where: bonds (distance) C4'-P energy: -102.795 bonds (distance) P-C4' energy: -117.298 flat angles C4'-P-C4' energy: -99.056 flat angles P-C4'-P energy: -32.333 tors. eta vs tors. theta energy: 24.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2119.990405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.990405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.990405 (E_RNA) where: Base-Base interactions energy: -1482.824 where: short stacking energy: -598.755 Base-Backbone interact. energy: -0.728 local terms energy: -636.438391 where: bonds (distance) C4'-P energy: -99.675 bonds (distance) P-C4' energy: -135.191 flat angles C4'-P-C4' energy: -142.996 flat angles P-C4'-P energy: -86.218 tors. eta vs tors. theta energy: -172.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2073.257971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.257971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.257971 (E_RNA) where: Base-Base interactions energy: -1433.664 where: short stacking energy: -566.284 Base-Backbone interact. energy: 1.957 local terms energy: -641.550537 where: bonds (distance) C4'-P energy: -123.998 bonds (distance) P-C4' energy: -119.495 flat angles C4'-P-C4' energy: -136.626 flat angles P-C4'-P energy: -98.451 tors. eta vs tors. theta energy: -162.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1984.149442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.149442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.149442 (E_RNA) where: Base-Base interactions energy: -1354.496 where: short stacking energy: -579.502 Base-Backbone interact. energy: -4.793 local terms energy: -624.860157 where: bonds (distance) C4'-P energy: -113.124 bonds (distance) P-C4' energy: -123.906 flat angles C4'-P-C4' energy: -136.921 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -168.489 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: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1879.959171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.959171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.959171 (E_RNA) where: Base-Base interactions energy: -1259.130 where: short stacking energy: -536.843 Base-Backbone interact. energy: 0.517 local terms energy: -621.345355 where: bonds (distance) C4'-P energy: -126.316 bonds (distance) P-C4' energy: -114.040 flat angles C4'-P-C4' energy: -126.057 flat angles P-C4'-P energy: -86.257 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: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1790.043837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.043837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.043837 (E_RNA) where: Base-Base interactions energy: -1230.865 where: short stacking energy: -502.116 Base-Backbone interact. energy: -1.346 local terms energy: -557.832888 where: bonds (distance) C4'-P energy: -108.124 bonds (distance) P-C4' energy: -112.483 flat angles C4'-P-C4' energy: -123.767 flat angles P-C4'-P energy: -76.752 tors. eta vs tors. theta energy: -136.707 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: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1508.054884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.054884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.054884 (E_RNA) where: Base-Base interactions energy: -972.681 where: short stacking energy: -444.329 Base-Backbone interact. energy: -3.041 local terms energy: -532.332547 where: bonds (distance) C4'-P energy: -113.546 bonds (distance) P-C4' energy: -113.087 flat angles C4'-P-C4' energy: -125.025 flat angles P-C4'-P energy: -75.034 tors. eta vs tors. theta energy: -105.640 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: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1195.414028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.414028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.414028 (E_RNA) where: Base-Base interactions energy: -742.191 where: short stacking energy: -345.433 Base-Backbone interact. energy: -0.850 local terms energy: -452.373075 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -119.810 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -61.119 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: 225 Temperature: 1.250000 Total energy: -1018.127995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.127995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.127995 (E_RNA) where: Base-Base interactions energy: -604.139 where: short stacking energy: -290.350 Base-Backbone interact. energy: 1.308 local terms energy: -415.296910 where: bonds (distance) C4'-P energy: -105.966 bonds (distance) P-C4' energy: -116.390 flat angles C4'-P-C4' energy: -87.399 flat angles P-C4'-P energy: -51.692 tors. eta vs tors. theta energy: -53.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -731.024759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.024759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.024759 (E_RNA) where: Base-Base interactions energy: -360.352 where: short stacking energy: -236.745 Base-Backbone interact. energy: 1.252 local terms energy: -371.924318 where: bonds (distance) C4'-P energy: -87.674 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -99.764 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -14.091 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: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -525.876015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.876015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.876015 (E_RNA) where: Base-Base interactions energy: -183.991 where: short stacking energy: -150.279 Base-Backbone interact. energy: 4.596 local terms energy: -346.480751 where: bonds (distance) C4'-P energy: -125.815 bonds (distance) P-C4' energy: -114.700 flat angles C4'-P-C4' energy: -88.829 flat angles P-C4'-P energy: -44.241 tors. eta vs tors. theta energy: 27.104 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: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2152.742480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.742480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.742480 (E_RNA) where: Base-Base interactions energy: -1480.113 where: short stacking energy: -610.229 Base-Backbone interact. energy: -7.149 local terms energy: -665.480147 where: bonds (distance) C4'-P energy: -122.646 bonds (distance) P-C4' energy: -135.908 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -177.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2069.899315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.899315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.899315 (E_RNA) where: Base-Base interactions energy: -1430.927 where: short stacking energy: -583.800 Base-Backbone interact. energy: 2.383 local terms energy: -641.355539 where: bonds (distance) C4'-P energy: -108.650 bonds (distance) P-C4' energy: -126.990 flat angles C4'-P-C4' energy: -150.136 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -165.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1979.672921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.672921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.672921 (E_RNA) where: Base-Base interactions energy: -1355.038 where: short stacking energy: -582.952 Base-Backbone interact. energy: -1.453 local terms energy: -623.182040 where: bonds (distance) C4'-P energy: -113.617 bonds (distance) P-C4' energy: -120.857 flat angles C4'-P-C4' energy: -136.105 flat angles P-C4'-P energy: -81.194 tors. eta vs tors. theta energy: -171.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1893.757933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.757933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.757933 (E_RNA) where: Base-Base interactions energy: -1286.632 where: short stacking energy: -567.753 Base-Backbone interact. energy: -2.808 local terms energy: -604.318471 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -117.131 flat angles C4'-P-C4' energy: -132.735 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -165.800 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: 226 Temperature: 1.100000 Total energy: -1791.214483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.214483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.214483 (E_RNA) where: Base-Base interactions energy: -1224.554 where: short stacking energy: -508.399 Base-Backbone interact. energy: -2.619 local terms energy: -564.041819 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -106.048 flat angles C4'-P-C4' energy: -123.805 flat angles P-C4'-P energy: -84.169 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: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1496.834770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.834770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.834770 (E_RNA) where: Base-Base interactions energy: -960.440 where: short stacking energy: -445.523 Base-Backbone interact. energy: -1.906 local terms energy: -534.489237 where: bonds (distance) C4'-P energy: -115.844 bonds (distance) P-C4' energy: -110.945 flat angles C4'-P-C4' energy: -123.446 flat angles P-C4'-P energy: -76.357 tors. eta vs tors. theta energy: -107.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1233.513608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.513608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.513608 (E_RNA) where: Base-Base interactions energy: -776.302 where: short stacking energy: -359.773 Base-Backbone interact. energy: -1.947 local terms energy: -455.264460 where: bonds (distance) C4'-P energy: -92.620 bonds (distance) P-C4' energy: -102.722 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -65.518 tors. eta vs tors. theta energy: -65.332 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: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -935.100068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.100068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.100068 (E_RNA) where: Base-Base interactions energy: -515.415 where: short stacking energy: -240.734 Base-Backbone interact. energy: -3.345 local terms energy: -416.339422 where: bonds (distance) C4'-P energy: -107.221 bonds (distance) P-C4' energy: -113.287 flat angles C4'-P-C4' energy: -110.994 flat angles P-C4'-P energy: -76.102 tors. eta vs tors. theta energy: -8.736 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: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -742.865076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.865076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.865076 (E_RNA) where: Base-Base interactions energy: -374.186 where: short stacking energy: -217.559 Base-Backbone interact. energy: 3.759 local terms energy: -372.437771 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -110.127 flat angles C4'-P-C4' energy: -105.598 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: 2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -476.876125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.876125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.876125 (E_RNA) where: Base-Base interactions energy: -158.605 where: short stacking energy: -121.176 Base-Backbone interact. energy: 1.922 local terms energy: -320.193764 where: bonds (distance) C4'-P energy: -104.737 bonds (distance) P-C4' energy: -105.494 flat angles C4'-P-C4' energy: -80.705 flat angles P-C4'-P energy: -55.133 tors. eta vs tors. theta energy: 25.875 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: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2138.553198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.553198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.553198 (E_RNA) where: Base-Base interactions energy: -1449.734 where: short stacking energy: -581.550 Base-Backbone interact. energy: -4.779 local terms energy: -684.041072 where: bonds (distance) C4'-P energy: -122.030 bonds (distance) P-C4' energy: -137.297 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -107.313 tors. eta vs tors. theta energy: -172.330 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2068.379627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.379627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.379627 (E_RNA) where: Base-Base interactions energy: -1409.975 where: short stacking energy: -584.873 Base-Backbone interact. energy: -2.882 local terms energy: -655.521770 where: bonds (distance) C4'-P energy: -135.662 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -122.118 flat angles P-C4'-P energy: -92.163 tors. eta vs tors. theta energy: -172.833 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: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1986.350151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.350151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.350151 (E_RNA) where: Base-Base interactions energy: -1339.436 where: short stacking energy: -583.513 Base-Backbone interact. energy: -2.011 local terms energy: -644.903554 where: bonds (distance) C4'-P energy: -119.220 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -133.124 flat angles P-C4'-P energy: -83.460 tors. eta vs tors. theta energy: -175.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1861.974748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.974748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.974748 (E_RNA) where: Base-Base interactions energy: -1258.402 where: short stacking energy: -559.427 Base-Backbone interact. energy: 2.275 local terms energy: -605.847330 where: bonds (distance) C4'-P energy: -100.751 bonds (distance) P-C4' energy: -120.377 flat angles C4'-P-C4' energy: -126.134 flat angles P-C4'-P energy: -94.023 tors. eta vs tors. theta energy: -164.563 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: 227 Temperature: 1.100000 Total energy: -1721.768533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.768533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.768533 (E_RNA) where: Base-Base interactions energy: -1167.952 where: short stacking energy: -499.109 Base-Backbone interact. energy: -2.451 local terms energy: -551.365783 where: bonds (distance) C4'-P energy: -115.972 bonds (distance) P-C4' energy: -117.221 flat angles C4'-P-C4' energy: -115.040 flat angles P-C4'-P energy: -81.561 tors. eta vs tors. theta energy: -121.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1525.690103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.690103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.690103 (E_RNA) where: Base-Base interactions energy: -962.777 where: short stacking energy: -462.958 Base-Backbone interact. energy: -1.810 local terms energy: -561.102612 where: bonds (distance) C4'-P energy: -93.714 bonds (distance) P-C4' energy: -122.218 flat angles C4'-P-C4' energy: -128.928 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: -133.695 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: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1230.930339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.930339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.930339 (E_RNA) where: Base-Base interactions energy: -764.851 where: short stacking energy: -375.559 Base-Backbone interact. energy: -1.489 local terms energy: -464.589662 where: bonds (distance) C4'-P energy: -118.040 bonds (distance) P-C4' energy: -100.986 flat angles C4'-P-C4' energy: -110.176 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -71.599 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: 227 Temperature: 1.250000 Total energy: -930.535121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.535121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.535121 (E_RNA) where: Base-Base interactions energy: -526.336 where: short stacking energy: -270.033 Base-Backbone interact. energy: 0.272 local terms energy: -404.470595 where: bonds (distance) C4'-P energy: -105.387 bonds (distance) P-C4' energy: -94.883 flat angles C4'-P-C4' energy: -108.718 flat angles P-C4'-P energy: -63.583 tors. eta vs tors. theta energy: -31.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -703.243507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.243507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.243507 (E_RNA) where: Base-Base interactions energy: -331.293 where: short stacking energy: -177.850 Base-Backbone interact. energy: 6.513 local terms energy: -378.463715 where: bonds (distance) C4'-P energy: -100.982 bonds (distance) P-C4' energy: -111.397 flat angles C4'-P-C4' energy: -87.479 flat angles P-C4'-P energy: -84.219 tors. eta vs tors. theta energy: 5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -488.833171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.833171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.833171 (E_RNA) where: Base-Base interactions energy: -178.023 where: short stacking energy: -156.791 Base-Backbone interact. energy: 3.405 local terms energy: -314.214803 where: bonds (distance) C4'-P energy: -100.753 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -71.799 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: 17.236 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: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2168.352234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.352234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.352234 (E_RNA) where: Base-Base interactions energy: -1456.190 where: short stacking energy: -637.213 Base-Backbone interact. energy: -5.324 local terms energy: -706.837965 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -128.268 flat angles C4'-P-C4' energy: -154.187 flat angles P-C4'-P energy: -102.930 tors. eta vs tors. theta energy: -188.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2066.249008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.249008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.249008 (E_RNA) where: Base-Base interactions energy: -1388.861 where: short stacking energy: -620.559 Base-Backbone interact. energy: -2.727 local terms energy: -674.660495 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -123.291 flat angles C4'-P-C4' energy: -142.284 flat angles P-C4'-P energy: -106.684 tors. eta vs tors. theta energy: -185.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1965.650902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.650902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.650902 (E_RNA) where: Base-Base interactions energy: -1295.308 where: short stacking energy: -566.849 Base-Backbone interact. energy: 1.786 local terms energy: -672.128886 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -134.103 flat angles P-C4'-P energy: -98.458 tors. eta vs tors. theta energy: -168.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1852.769725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.769725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.769725 (E_RNA) where: Base-Base interactions energy: -1249.822 where: short stacking energy: -548.676 Base-Backbone interact. energy: -2.046 local terms energy: -600.901920 where: bonds (distance) C4'-P energy: -114.561 bonds (distance) P-C4' energy: -111.723 flat angles C4'-P-C4' energy: -129.748 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -161.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1836.670106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.670106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.670106 (E_RNA) where: Base-Base interactions energy: -1284.661 where: short stacking energy: -533.750 Base-Backbone interact. energy: 3.126 local terms energy: -555.135453 where: bonds (distance) C4'-P energy: -99.377 bonds (distance) P-C4' energy: -101.982 flat angles C4'-P-C4' energy: -135.826 flat angles P-C4'-P energy: -87.974 tors. eta vs tors. theta energy: -129.977 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: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1452.931490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.931490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.931490 (E_RNA) where: Base-Base interactions energy: -930.568 where: short stacking energy: -450.735 Base-Backbone interact. energy: -2.182 local terms energy: -520.182059 where: bonds (distance) C4'-P energy: -109.663 bonds (distance) P-C4' energy: -117.029 flat angles C4'-P-C4' energy: -107.674 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -103.001 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: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1251.947546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.947546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.947546 (E_RNA) where: Base-Base interactions energy: -819.139 where: short stacking energy: -340.942 Base-Backbone interact. energy: 5.564 local terms energy: -438.372800 where: bonds (distance) C4'-P energy: -97.322 bonds (distance) P-C4' energy: -111.473 flat angles C4'-P-C4' energy: -97.892 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -66.367 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: 228 Temperature: 1.250000 Total energy: -935.790402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.790402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.790402 (E_RNA) where: Base-Base interactions energy: -543.431 where: short stacking energy: -291.766 Base-Backbone interact. energy: 4.651 local terms energy: -397.011073 where: bonds (distance) C4'-P energy: -97.627 bonds (distance) P-C4' energy: -102.636 flat angles C4'-P-C4' energy: -99.042 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -40.550 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: 9, replica: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -741.016524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.016524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.016524 (E_RNA) where: Base-Base interactions energy: -371.774 where: short stacking energy: -210.535 Base-Backbone interact. energy: 2.966 local terms energy: -372.208593 where: bonds (distance) C4'-P energy: -108.582 bonds (distance) P-C4' energy: -114.149 flat angles C4'-P-C4' energy: -90.905 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -476.100445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.100445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.100445 (E_RNA) where: Base-Base interactions energy: -178.952 where: short stacking energy: -141.057 Base-Backbone interact. energy: -0.439 local terms energy: -296.708778 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -95.402 flat angles C4'-P-C4' energy: -66.894 flat angles P-C4'-P energy: -55.326 tors. eta vs tors. theta energy: 31.002 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: 229 Temperature: 0.900000 Total energy: -2136.991463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.991463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.991463 (E_RNA) where: Base-Base interactions energy: -1478.502 where: short stacking energy: -634.906 Base-Backbone interact. energy: -3.306 local terms energy: -655.184314 where: bonds (distance) C4'-P energy: -126.781 bonds (distance) P-C4' energy: -124.880 flat angles C4'-P-C4' energy: -140.402 flat angles P-C4'-P energy: -84.342 tors. eta vs tors. theta energy: -178.780 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: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2055.800597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.800597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.800597 (E_RNA) where: Base-Base interactions energy: -1406.119 where: short stacking energy: -601.270 Base-Backbone interact. energy: 0.789 local terms energy: -650.470520 where: bonds (distance) C4'-P energy: -118.071 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -146.818 flat angles P-C4'-P energy: -87.859 tors. eta vs tors. theta energy: -178.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2007.252570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.252570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.252570 (E_RNA) where: Base-Base interactions energy: -1365.506 where: short stacking energy: -602.588 Base-Backbone interact. energy: -3.709 local terms energy: -638.037592 where: bonds (distance) C4'-P energy: -117.232 bonds (distance) P-C4' energy: -117.660 flat angles C4'-P-C4' energy: -129.198 flat angles P-C4'-P energy: -88.039 tors. eta vs tors. theta energy: -185.909 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: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1885.194803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.194803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.194803 (E_RNA) where: Base-Base interactions energy: -1274.807 where: short stacking energy: -583.410 Base-Backbone interact. energy: -1.084 local terms energy: -609.303701 where: bonds (distance) C4'-P energy: -112.141 bonds (distance) P-C4' energy: -123.774 flat angles C4'-P-C4' energy: -123.111 flat angles P-C4'-P energy: -81.647 tors. eta vs tors. theta energy: -168.630 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: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1744.765183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.765183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.765183 (E_RNA) where: Base-Base interactions energy: -1180.859 where: short stacking energy: -489.368 Base-Backbone interact. energy: 0.923 local terms energy: -564.829495 where: bonds (distance) C4'-P energy: -99.231 bonds (distance) P-C4' energy: -116.935 flat angles C4'-P-C4' energy: -132.039 flat angles P-C4'-P energy: -87.405 tors. eta vs tors. theta energy: -129.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1495.277775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.277775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.277775 (E_RNA) where: Base-Base interactions energy: -992.761 where: short stacking energy: -443.750 Base-Backbone interact. energy: -2.156 local terms energy: -500.360848 where: bonds (distance) C4'-P energy: -110.535 bonds (distance) P-C4' energy: -114.595 flat angles C4'-P-C4' energy: -98.388 flat angles P-C4'-P energy: -71.943 tors. eta vs tors. theta energy: -104.900 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: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1290.181941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.181941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.181941 (E_RNA) where: Base-Base interactions energy: -808.200 where: short stacking energy: -390.179 Base-Backbone interact. energy: -1.804 local terms energy: -480.177538 where: bonds (distance) C4'-P energy: -115.714 bonds (distance) P-C4' energy: -116.590 flat angles C4'-P-C4' energy: -89.187 flat angles P-C4'-P energy: -60.638 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: 229 Temperature: 1.250000 Total energy: -1049.417146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.417146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.417146 (E_RNA) where: Base-Base interactions energy: -628.652 where: short stacking energy: -306.723 Base-Backbone interact. energy: 0.627 local terms energy: -421.392360 where: bonds (distance) C4'-P energy: -111.841 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -101.739 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -47.510 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: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -766.345943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.345943 (E_RNA) where: Base-Base interactions energy: -426.378 where: short stacking energy: -237.893 Base-Backbone interact. energy: 9.886 local terms energy: -349.854687 where: bonds (distance) C4'-P energy: -103.232 bonds (distance) P-C4' energy: -111.720 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -50.221 tors. eta vs tors. theta energy: -12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -506.397730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.397730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.397730 (E_RNA) where: Base-Base interactions energy: -171.636 where: short stacking energy: -129.807 Base-Backbone interact. energy: -0.800 local terms energy: -333.961786 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -128.074 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -66.242 tors. eta vs tors. theta energy: 27.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2163.018502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.018502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.018502 (E_RNA) where: Base-Base interactions energy: -1484.327 where: short stacking energy: -629.330 Base-Backbone interact. energy: -4.251 local terms energy: -674.440609 where: bonds (distance) C4'-P energy: -125.544 bonds (distance) P-C4' energy: -125.653 flat angles C4'-P-C4' energy: -143.658 flat angles P-C4'-P energy: -89.559 tors. eta vs tors. theta energy: -190.026 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2048.403178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.403178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.403178 (E_RNA) where: Base-Base interactions energy: -1394.792 where: short stacking energy: -607.761 Base-Backbone interact. energy: 1.016 local terms energy: -654.627303 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -123.991 flat angles C4'-P-C4' energy: -138.193 flat angles P-C4'-P energy: -97.050 tors. eta vs tors. theta energy: -176.527 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: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2022.130086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.130086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.130086 (E_RNA) where: Base-Base interactions energy: -1368.913 where: short stacking energy: -608.627 Base-Backbone interact. energy: -4.018 local terms energy: -649.199173 where: bonds (distance) C4'-P energy: -115.542 bonds (distance) P-C4' energy: -133.672 flat angles C4'-P-C4' energy: -126.514 flat angles P-C4'-P energy: -81.148 tors. eta vs tors. theta energy: -192.323 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1855.154179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.154179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.154179 (E_RNA) where: Base-Base interactions energy: -1220.059 where: short stacking energy: -552.139 Base-Backbone interact. energy: -2.240 local terms energy: -632.855699 where: bonds (distance) C4'-P energy: -125.322 bonds (distance) P-C4' energy: -117.037 flat angles C4'-P-C4' energy: -130.449 flat angles P-C4'-P energy: -90.698 tors. eta vs tors. theta energy: -169.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1768.707869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.707869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.707869 (E_RNA) where: Base-Base interactions energy: -1228.542 where: short stacking energy: -499.913 Base-Backbone interact. energy: 1.196 local terms energy: -541.361928 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -125.158 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -78.026 tors. eta vs tors. theta energy: -121.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1564.821343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.821343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.821343 (E_RNA) where: Base-Base interactions energy: -1006.301 where: short stacking energy: -442.349 Base-Backbone interact. energy: -5.092 local terms energy: -553.427600 where: bonds (distance) C4'-P energy: -124.713 bonds (distance) P-C4' energy: -126.408 flat angles C4'-P-C4' energy: -133.536 flat angles P-C4'-P energy: -77.087 tors. eta vs tors. theta energy: -91.683 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: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1224.496322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.496322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.496322 (E_RNA) where: Base-Base interactions energy: -760.409 where: short stacking energy: -371.848 Base-Backbone interact. energy: -1.101 local terms energy: -462.985694 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -128.627 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -78.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -995.255647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.255647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.255647 (E_RNA) where: Base-Base interactions energy: -579.322 where: short stacking energy: -265.693 Base-Backbone interact. energy: -1.394 local terms energy: -414.539780 where: bonds (distance) C4'-P energy: -97.683 bonds (distance) P-C4' energy: -109.217 flat angles C4'-P-C4' energy: -108.728 flat angles P-C4'-P energy: -72.145 tors. eta vs tors. theta energy: -26.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -738.933744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.933744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.933744 (E_RNA) where: Base-Base interactions energy: -377.156 where: short stacking energy: -187.723 Base-Backbone interact. energy: -0.788 local terms energy: -360.989602 where: bonds (distance) C4'-P energy: -91.828 bonds (distance) P-C4' energy: -112.418 flat angles C4'-P-C4' energy: -102.447 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: 4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -504.019264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.019264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.019264 (E_RNA) where: Base-Base interactions energy: -159.866 where: short stacking energy: -142.852 Base-Backbone interact. energy: 1.472 local terms energy: -345.625427 where: bonds (distance) C4'-P energy: -107.678 bonds (distance) P-C4' energy: -116.317 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: 15.168 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2167.857992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.857992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.857992 (E_RNA) where: Base-Base interactions energy: -1487.814 where: short stacking energy: -621.462 Base-Backbone interact. energy: -6.355 local terms energy: -673.689024 where: bonds (distance) C4'-P energy: -115.621 bonds (distance) P-C4' energy: -128.409 flat angles C4'-P-C4' energy: -149.282 flat angles P-C4'-P energy: -95.512 tors. eta vs tors. theta energy: -184.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2092.006054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.006054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.006054 (E_RNA) where: Base-Base interactions energy: -1409.486 where: short stacking energy: -643.755 Base-Backbone interact. energy: -3.237 local terms energy: -679.283415 where: bonds (distance) C4'-P energy: -114.406 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -139.987 flat angles P-C4'-P energy: -97.714 tors. eta vs tors. theta energy: -201.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1941.266020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.266020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.266020 (E_RNA) where: Base-Base interactions energy: -1311.601 where: short stacking energy: -560.259 Base-Backbone interact. energy: -2.824 local terms energy: -626.840636 where: bonds (distance) C4'-P energy: -114.911 bonds (distance) P-C4' energy: -117.569 flat angles C4'-P-C4' energy: -143.829 flat angles P-C4'-P energy: -87.079 tors. eta vs tors. theta energy: -163.453 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: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1842.073643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.073643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.073643 (E_RNA) where: Base-Base interactions energy: -1240.054 where: short stacking energy: -561.956 Base-Backbone interact. energy: -0.258 local terms energy: -601.761666 where: bonds (distance) C4'-P energy: -119.037 bonds (distance) P-C4' energy: -101.430 flat angles C4'-P-C4' energy: -134.203 flat angles P-C4'-P energy: -82.505 tors. eta vs tors. theta energy: -164.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1772.998431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.998431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.998431 (E_RNA) where: Base-Base interactions energy: -1218.124 where: short stacking energy: -518.448 Base-Backbone interact. energy: -0.623 local terms energy: -554.251988 where: bonds (distance) C4'-P energy: -108.905 bonds (distance) P-C4' energy: -112.090 flat angles C4'-P-C4' energy: -128.661 flat angles P-C4'-P energy: -81.381 tors. eta vs tors. theta energy: -123.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1603.094247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.094247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.094247 (E_RNA) where: Base-Base interactions energy: -1069.106 where: short stacking energy: -466.639 Base-Backbone interact. energy: -2.761 local terms energy: -531.227510 where: bonds (distance) C4'-P energy: -102.488 bonds (distance) P-C4' energy: -102.032 flat angles C4'-P-C4' energy: -115.915 flat angles P-C4'-P energy: -87.283 tors. eta vs tors. theta energy: -123.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1260.132198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.132198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.132198 (E_RNA) where: Base-Base interactions energy: -826.167 where: short stacking energy: -382.359 Base-Backbone interact. energy: 3.529 local terms energy: -437.494794 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -94.385 flat angles C4'-P-C4' energy: -100.241 flat angles P-C4'-P energy: -81.492 tors. eta vs tors. theta energy: -62.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -949.113831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.113831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.113831 (E_RNA) where: Base-Base interactions energy: -540.772 where: short stacking energy: -278.209 Base-Backbone interact. energy: 0.738 local terms energy: -409.079183 where: bonds (distance) C4'-P energy: -104.566 bonds (distance) P-C4' energy: -98.747 flat angles C4'-P-C4' energy: -95.009 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -41.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -736.524656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.524656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.524656 (E_RNA) where: Base-Base interactions energy: -372.851 where: short stacking energy: -190.265 Base-Backbone interact. energy: 4.242 local terms energy: -367.915894 where: bonds (distance) C4'-P energy: -105.418 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -97.664 flat angles P-C4'-P energy: -58.477 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -480.934937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.934937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.934937 (E_RNA) where: Base-Base interactions energy: -169.606 where: short stacking energy: -137.406 Base-Backbone interact. energy: -2.806 local terms energy: -308.522406 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -99.797 flat angles C4'-P-C4' energy: -99.700 flat angles P-C4'-P energy: -42.740 tors. eta vs tors. theta energy: 22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2171.210773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.210773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.210773 (E_RNA) where: Base-Base interactions energy: -1509.380 where: short stacking energy: -621.638 Base-Backbone interact. energy: -3.487 local terms energy: -658.343324 where: bonds (distance) C4'-P energy: -115.691 bonds (distance) P-C4' energy: -122.980 flat angles C4'-P-C4' energy: -143.424 flat angles P-C4'-P energy: -94.016 tors. eta vs tors. theta energy: -182.233 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: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2110.977765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.977765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.977765 (E_RNA) where: Base-Base interactions energy: -1426.109 where: short stacking energy: -622.630 Base-Backbone interact. energy: -1.397 local terms energy: -683.472403 where: bonds (distance) C4'-P energy: -127.365 bonds (distance) P-C4' energy: -135.094 flat angles C4'-P-C4' energy: -137.544 flat angles P-C4'-P energy: -93.470 tors. eta vs tors. theta energy: -190.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1948.729459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.729459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.729459 (E_RNA) where: Base-Base interactions energy: -1334.009 where: short stacking energy: -583.344 Base-Backbone interact. energy: -1.978 local terms energy: -612.742475 where: bonds (distance) C4'-P energy: -116.755 bonds (distance) P-C4' energy: -104.128 flat angles C4'-P-C4' energy: -132.800 flat angles P-C4'-P energy: -94.964 tors. eta vs tors. theta energy: -164.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1915.481649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.481649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.481649 (E_RNA) where: Base-Base interactions energy: -1284.168 where: short stacking energy: -571.402 Base-Backbone interact. energy: -1.225 local terms energy: -630.088797 where: bonds (distance) C4'-P energy: -120.227 bonds (distance) P-C4' energy: -117.397 flat angles C4'-P-C4' energy: -135.296 flat angles P-C4'-P energy: -87.413 tors. eta vs tors. theta energy: -169.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1789.870513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.870513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.870513 (E_RNA) where: Base-Base interactions energy: -1232.098 where: short stacking energy: -527.772 Base-Backbone interact. energy: -2.850 local terms energy: -554.922692 where: bonds (distance) C4'-P energy: -100.418 bonds (distance) P-C4' energy: -113.222 flat angles C4'-P-C4' energy: -128.393 flat angles P-C4'-P energy: -85.838 tors. eta vs tors. theta energy: -127.051 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: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1595.811141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.811141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.811141 (E_RNA) where: Base-Base interactions energy: -1068.663 where: short stacking energy: -466.910 Base-Backbone interact. energy: -2.093 local terms energy: -525.055341 where: bonds (distance) C4'-P energy: -103.895 bonds (distance) P-C4' energy: -112.533 flat angles C4'-P-C4' energy: -120.707 flat angles P-C4'-P energy: -73.268 tors. eta vs tors. theta energy: -114.653 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: 7, replica: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1288.020397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.020397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.020397 (E_RNA) where: Base-Base interactions energy: -795.457 where: short stacking energy: -389.154 Base-Backbone interact. energy: -0.092 local terms energy: -492.471069 where: bonds (distance) C4'-P energy: -111.168 bonds (distance) P-C4' energy: -114.968 flat angles C4'-P-C4' energy: -115.263 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: -92.910 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: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -944.803316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.803316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.803316 (E_RNA) where: Base-Base interactions energy: -550.344 where: short stacking energy: -289.250 Base-Backbone interact. energy: 0.306 local terms energy: -394.765599 where: bonds (distance) C4'-P energy: -100.515 bonds (distance) P-C4' energy: -104.810 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -39.797 tors. eta vs tors. theta energy: -45.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -743.167294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.167294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.167294 (E_RNA) where: Base-Base interactions energy: -408.249 where: short stacking energy: -208.037 Base-Backbone interact. energy: 1.224 local terms energy: -336.142870 where: bonds (distance) C4'-P energy: -103.591 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -91.779 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: 5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -473.091994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.091994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.091994 (E_RNA) where: Base-Base interactions energy: -182.685 where: short stacking energy: -152.536 Base-Backbone interact. energy: 0.513 local terms energy: -290.919505 where: bonds (distance) C4'-P energy: -94.925 bonds (distance) P-C4' energy: -98.352 flat angles C4'-P-C4' energy: -87.750 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: 37.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2148.344538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.344538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.344538 (E_RNA) where: Base-Base interactions energy: -1460.346 where: short stacking energy: -616.429 Base-Backbone interact. energy: -2.363 local terms energy: -685.635787 where: bonds (distance) C4'-P energy: -127.591 bonds (distance) P-C4' energy: -137.948 flat angles C4'-P-C4' energy: -141.685 flat angles P-C4'-P energy: -97.365 tors. eta vs tors. theta energy: -181.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2105.520623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.520623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.520623 (E_RNA) where: Base-Base interactions energy: -1425.573 where: short stacking energy: -607.663 Base-Backbone interact. energy: -1.760 local terms energy: -678.187619 where: bonds (distance) C4'-P energy: -125.012 bonds (distance) P-C4' energy: -130.393 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -97.619 tors. eta vs tors. theta energy: -183.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1987.724279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.724279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.724279 (E_RNA) where: Base-Base interactions energy: -1356.020 where: short stacking energy: -599.420 Base-Backbone interact. energy: 5.232 local terms energy: -636.936609 where: bonds (distance) C4'-P energy: -121.568 bonds (distance) P-C4' energy: -129.469 flat angles C4'-P-C4' energy: -129.811 flat angles P-C4'-P energy: -90.716 tors. eta vs tors. theta energy: -165.373 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: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1885.141065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.141065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.141065 (E_RNA) where: Base-Base interactions energy: -1271.140 where: short stacking energy: -560.931 Base-Backbone interact. energy: -1.265 local terms energy: -612.737027 where: bonds (distance) C4'-P energy: -103.676 bonds (distance) P-C4' energy: -133.937 flat angles C4'-P-C4' energy: -122.228 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -162.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1808.072902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.072902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.072902 (E_RNA) where: Base-Base interactions energy: -1237.231 where: short stacking energy: -505.339 Base-Backbone interact. energy: -0.876 local terms energy: -569.965820 where: bonds (distance) C4'-P energy: -102.606 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -122.135 flat angles P-C4'-P energy: -83.303 tors. eta vs tors. theta energy: -138.773 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: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1592.036697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.036697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.036697 (E_RNA) where: Base-Base interactions energy: -1077.360 where: short stacking energy: -470.548 Base-Backbone interact. energy: -2.160 local terms energy: -512.516396 where: bonds (distance) C4'-P energy: -116.814 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -103.012 flat angles P-C4'-P energy: -55.787 tors. eta vs tors. theta energy: -118.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1290.845998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.845998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.845998 (E_RNA) where: Base-Base interactions energy: -814.521 where: short stacking energy: -383.035 Base-Backbone interact. energy: -2.541 local terms energy: -473.783850 where: bonds (distance) C4'-P energy: -100.359 bonds (distance) P-C4' energy: -108.968 flat angles C4'-P-C4' energy: -112.333 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: -71.182 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: 233 Temperature: 1.250000 Total energy: -952.306510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.306510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.306510 (E_RNA) where: Base-Base interactions energy: -554.061 where: short stacking energy: -254.863 Base-Backbone interact. energy: -1.404 local terms energy: -396.841331 where: bonds (distance) C4'-P energy: -109.747 bonds (distance) P-C4' energy: -113.351 flat angles C4'-P-C4' energy: -87.746 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -23.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -800.871320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.871320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.871320 (E_RNA) where: Base-Base interactions energy: -424.796 where: short stacking energy: -243.703 Base-Backbone interact. energy: 0.729 local terms energy: -376.803544 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -114.635 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -16.089 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: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -499.533168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.533168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.533168 (E_RNA) where: Base-Base interactions energy: -162.551 where: short stacking energy: -146.051 Base-Backbone interact. energy: 0.520 local terms energy: -337.501874 where: bonds (distance) C4'-P energy: -98.144 bonds (distance) P-C4' energy: -101.597 flat angles C4'-P-C4' energy: -95.109 flat angles P-C4'-P energy: -54.914 tors. eta vs tors. theta energy: 12.262 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2100.815296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.815296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.815296 (E_RNA) where: Base-Base interactions energy: -1438.319 where: short stacking energy: -605.424 Base-Backbone interact. energy: -3.730 local terms energy: -658.765987 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -133.538 flat angles C4'-P-C4' energy: -142.760 flat angles P-C4'-P energy: -91.998 tors. eta vs tors. theta energy: -159.580 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: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2103.403019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.403019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.403019 (E_RNA) where: Base-Base interactions energy: -1438.492 where: short stacking energy: -642.380 Base-Backbone interact. energy: -0.969 local terms energy: -663.941195 where: bonds (distance) C4'-P energy: -116.752 bonds (distance) P-C4' energy: -121.717 flat angles C4'-P-C4' energy: -141.820 flat angles P-C4'-P energy: -88.692 tors. eta vs tors. theta energy: -194.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1982.484434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.484434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.484434 (E_RNA) where: Base-Base interactions energy: -1347.742 where: short stacking energy: -600.976 Base-Backbone interact. energy: -3.555 local terms energy: -631.187634 where: bonds (distance) C4'-P energy: -114.076 bonds (distance) P-C4' energy: -122.300 flat angles C4'-P-C4' energy: -133.781 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -173.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1857.437078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.437078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.437078 (E_RNA) where: Base-Base interactions energy: -1232.619 where: short stacking energy: -557.153 Base-Backbone interact. energy: -1.419 local terms energy: -623.399069 where: bonds (distance) C4'-P energy: -117.116 bonds (distance) P-C4' energy: -116.800 flat angles C4'-P-C4' energy: -133.817 flat angles P-C4'-P energy: -92.933 tors. eta vs tors. theta energy: -162.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1770.904587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.904587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.904587 (E_RNA) where: Base-Base interactions energy: -1193.222 where: short stacking energy: -509.144 Base-Backbone interact. energy: -2.286 local terms energy: -575.396637 where: bonds (distance) C4'-P energy: -116.766 bonds (distance) P-C4' energy: -114.852 flat angles C4'-P-C4' energy: -126.581 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -133.802 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: 234 Temperature: 1.150000 Total energy: -1593.019209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.019209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.019209 (E_RNA) where: Base-Base interactions energy: -1051.291 where: short stacking energy: -484.340 Base-Backbone interact. energy: -0.546 local terms energy: -541.181875 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -110.490 flat angles P-C4'-P energy: -87.409 tors. eta vs tors. theta energy: -123.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1303.063800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.063800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.063800 (E_RNA) where: Base-Base interactions energy: -829.220 where: short stacking energy: -393.376 Base-Backbone interact. energy: -1.828 local terms energy: -472.015836 where: bonds (distance) C4'-P energy: -104.114 bonds (distance) P-C4' energy: -114.694 flat angles C4'-P-C4' energy: -107.087 flat angles P-C4'-P energy: -66.178 tors. eta vs tors. theta energy: -79.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -981.506514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.506514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.506514 (E_RNA) where: Base-Base interactions energy: -565.528 where: short stacking energy: -279.314 Base-Backbone interact. energy: 2.759 local terms energy: -418.737848 where: bonds (distance) C4'-P energy: -108.492 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -40.460 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: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -812.050152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.050152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.050152 (E_RNA) where: Base-Base interactions energy: -424.335 where: short stacking energy: -242.320 Base-Backbone interact. energy: 2.394 local terms energy: -390.109106 where: bonds (distance) C4'-P energy: -108.432 bonds (distance) P-C4' energy: -107.094 flat angles C4'-P-C4' energy: -93.493 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -22.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -476.160756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.160756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.160756 (E_RNA) where: Base-Base interactions energy: -183.034 where: short stacking energy: -119.238 Base-Backbone interact. energy: -2.016 local terms energy: -291.111407 where: bonds (distance) C4'-P energy: -99.241 bonds (distance) P-C4' energy: -92.301 flat angles C4'-P-C4' energy: -89.348 flat angles P-C4'-P energy: -46.428 tors. eta vs tors. theta energy: 36.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2157.427204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.427204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.427204 (E_RNA) where: Base-Base interactions energy: -1486.886 where: short stacking energy: -620.156 Base-Backbone interact. energy: -1.531 local terms energy: -669.009803 where: bonds (distance) C4'-P energy: -120.337 bonds (distance) P-C4' energy: -126.087 flat angles C4'-P-C4' energy: -146.357 flat angles P-C4'-P energy: -90.274 tors. eta vs tors. theta energy: -185.956 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: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2110.164810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.164810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.164810 (E_RNA) where: Base-Base interactions energy: -1419.925 where: short stacking energy: -624.739 Base-Backbone interact. energy: 2.628 local terms energy: -692.867412 where: bonds (distance) C4'-P energy: -136.831 bonds (distance) P-C4' energy: -123.798 flat angles C4'-P-C4' energy: -143.900 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -186.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2006.505456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.505456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.505456 (E_RNA) where: Base-Base interactions energy: -1390.992 where: short stacking energy: -625.535 Base-Backbone interact. energy: -1.220 local terms energy: -614.292729 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -118.761 flat angles C4'-P-C4' energy: -134.940 flat angles P-C4'-P energy: -84.400 tors. eta vs tors. theta energy: -181.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1871.232093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.232093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.232093 (E_RNA) where: Base-Base interactions energy: -1278.107 where: short stacking energy: -537.624 Base-Backbone interact. energy: 0.066 local terms energy: -593.191441 where: bonds (distance) C4'-P energy: -108.015 bonds (distance) P-C4' energy: -119.705 flat angles C4'-P-C4' energy: -128.953 flat angles P-C4'-P energy: -80.506 tors. eta vs tors. theta energy: -156.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1769.407689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.407689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.407689 (E_RNA) where: Base-Base interactions energy: -1206.767 where: short stacking energy: -516.420 Base-Backbone interact. energy: 0.581 local terms energy: -563.222461 where: bonds (distance) C4'-P energy: -111.292 bonds (distance) P-C4' energy: -114.281 flat angles C4'-P-C4' energy: -130.348 flat angles P-C4'-P energy: -75.594 tors. eta vs tors. theta energy: -131.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1617.779093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.779093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.779093 (E_RNA) where: Base-Base interactions energy: -1086.745 where: short stacking energy: -463.043 Base-Backbone interact. energy: -3.820 local terms energy: -527.214090 where: bonds (distance) C4'-P energy: -100.996 bonds (distance) P-C4' energy: -117.210 flat angles C4'-P-C4' energy: -125.282 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -124.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1312.809638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.809638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.809638 (E_RNA) where: Base-Base interactions energy: -866.532 where: short stacking energy: -375.730 Base-Backbone interact. energy: 4.179 local terms energy: -450.455956 where: bonds (distance) C4'-P energy: -90.724 bonds (distance) P-C4' energy: -101.934 flat angles C4'-P-C4' energy: -121.398 flat angles P-C4'-P energy: -66.067 tors. eta vs tors. theta energy: -70.334 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: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -971.256100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.256100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.256100 (E_RNA) where: Base-Base interactions energy: -551.279 where: short stacking energy: -255.849 Base-Backbone interact. energy: 1.653 local terms energy: -421.630113 where: bonds (distance) C4'-P energy: -114.913 bonds (distance) P-C4' energy: -110.603 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -59.448 tors. eta vs tors. theta energy: -28.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -779.428154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.428154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.428154 (E_RNA) where: Base-Base interactions energy: -417.629 where: short stacking energy: -215.411 Base-Backbone interact. energy: -0.267 local terms energy: -361.531659 where: bonds (distance) C4'-P energy: -91.469 bonds (distance) P-C4' energy: -122.667 flat angles C4'-P-C4' energy: -92.044 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -11.769 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: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -489.816248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.816248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.816248 (E_RNA) where: Base-Base interactions energy: -180.628 where: short stacking energy: -132.147 Base-Backbone interact. energy: 0.563 local terms energy: -309.751908 where: bonds (distance) C4'-P energy: -91.454 bonds (distance) P-C4' energy: -111.932 flat angles C4'-P-C4' energy: -77.662 flat angles P-C4'-P energy: -66.851 tors. eta vs tors. theta energy: 38.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2152.534521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.534521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.534521 (E_RNA) where: Base-Base interactions energy: -1464.600 where: short stacking energy: -630.902 Base-Backbone interact. energy: -2.327 local terms energy: -685.607591 where: bonds (distance) C4'-P energy: -125.059 bonds (distance) P-C4' energy: -124.538 flat angles C4'-P-C4' energy: -139.866 flat angles P-C4'-P energy: -101.679 tors. eta vs tors. theta energy: -194.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2091.061488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.061488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.061488 (E_RNA) where: Base-Base interactions energy: -1440.620 where: short stacking energy: -596.065 Base-Backbone interact. energy: -1.352 local terms energy: -649.090249 where: bonds (distance) C4'-P energy: -125.582 bonds (distance) P-C4' energy: -122.889 flat angles C4'-P-C4' energy: -135.212 flat angles P-C4'-P energy: -93.987 tors. eta vs tors. theta energy: -171.421 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: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2009.573235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.573235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.573235 (E_RNA) where: Base-Base interactions energy: -1378.218 where: short stacking energy: -593.160 Base-Backbone interact. energy: 1.135 local terms energy: -632.490647 where: bonds (distance) C4'-P energy: -117.268 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -139.574 flat angles P-C4'-P energy: -71.056 tors. eta vs tors. theta energy: -183.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1857.227457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.227457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.227457 (E_RNA) where: Base-Base interactions energy: -1253.683 where: short stacking energy: -555.869 Base-Backbone interact. energy: -1.119 local terms energy: -602.425796 where: bonds (distance) C4'-P energy: -112.740 bonds (distance) P-C4' energy: -111.994 flat angles C4'-P-C4' energy: -134.416 flat angles P-C4'-P energy: -82.552 tors. eta vs tors. theta energy: -160.724 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: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1814.609107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.609107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.609107 (E_RNA) where: Base-Base interactions energy: -1254.389 where: short stacking energy: -544.381 Base-Backbone interact. energy: -1.187 local terms energy: -559.033075 where: bonds (distance) C4'-P energy: -98.704 bonds (distance) P-C4' energy: -111.115 flat angles C4'-P-C4' energy: -124.880 flat angles P-C4'-P energy: -79.101 tors. eta vs tors. theta energy: -145.234 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: 6, replica: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1620.545099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.545099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.545099 (E_RNA) where: Base-Base interactions energy: -1088.840 where: short stacking energy: -450.789 Base-Backbone interact. energy: 3.863 local terms energy: -535.568352 where: bonds (distance) C4'-P energy: -109.676 bonds (distance) P-C4' energy: -111.320 flat angles C4'-P-C4' energy: -113.042 flat angles P-C4'-P energy: -94.707 tors. eta vs tors. theta energy: -106.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1336.569533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.569533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.569533 (E_RNA) where: Base-Base interactions energy: -826.492 where: short stacking energy: -402.784 Base-Backbone interact. energy: -1.590 local terms energy: -508.487562 where: bonds (distance) C4'-P energy: -111.069 bonds (distance) P-C4' energy: -109.805 flat angles C4'-P-C4' energy: -122.395 flat angles P-C4'-P energy: -70.112 tors. eta vs tors. theta energy: -95.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -948.975831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.975831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.975831 (E_RNA) where: Base-Base interactions energy: -558.454 where: short stacking energy: -272.095 Base-Backbone interact. energy: 0.145 local terms energy: -390.667522 where: bonds (distance) C4'-P energy: -86.686 bonds (distance) P-C4' energy: -112.584 flat angles C4'-P-C4' energy: -95.695 flat angles P-C4'-P energy: -63.555 tors. eta vs tors. theta energy: -32.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -748.477391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.477391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.477391 (E_RNA) where: Base-Base interactions energy: -381.811 where: short stacking energy: -212.591 Base-Backbone interact. energy: 0.426 local terms energy: -367.092816 where: bonds (distance) C4'-P energy: -98.042 bonds (distance) P-C4' energy: -103.026 flat angles C4'-P-C4' energy: -111.385 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -543.379036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.379036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.379036 (E_RNA) where: Base-Base interactions energy: -204.186 where: short stacking energy: -144.206 Base-Backbone interact. energy: -0.617 local terms energy: -338.576144 where: bonds (distance) C4'-P energy: -105.846 bonds (distance) P-C4' energy: -94.473 flat angles C4'-P-C4' energy: -101.708 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: 26.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2168.094510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.094510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.094510 (E_RNA) where: Base-Base interactions energy: -1476.162 where: short stacking energy: -652.528 Base-Backbone interact. energy: -3.370 local terms energy: -688.562987 where: bonds (distance) C4'-P energy: -119.369 bonds (distance) P-C4' energy: -131.708 flat angles C4'-P-C4' energy: -148.954 flat angles P-C4'-P energy: -96.135 tors. eta vs tors. theta energy: -192.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2098.525596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.525596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.525596 (E_RNA) where: Base-Base interactions energy: -1445.495 where: short stacking energy: -611.122 Base-Backbone interact. energy: -6.495 local terms energy: -646.535793 where: bonds (distance) C4'-P energy: -126.934 bonds (distance) P-C4' energy: -122.130 flat angles C4'-P-C4' energy: -130.570 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -177.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1997.245493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.245493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.245493 (E_RNA) where: Base-Base interactions energy: -1349.573 where: short stacking energy: -608.400 Base-Backbone interact. energy: -0.477 local terms energy: -647.195096 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -127.789 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -80.781 tors. eta vs tors. theta energy: -175.996 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: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1830.208528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.208528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.208528 (E_RNA) where: Base-Base interactions energy: -1223.585 where: short stacking energy: -520.070 Base-Backbone interact. energy: -1.640 local terms energy: -604.983301 where: bonds (distance) C4'-P energy: -111.358 bonds (distance) P-C4' energy: -120.635 flat angles C4'-P-C4' energy: -132.245 flat angles P-C4'-P energy: -90.716 tors. eta vs tors. theta energy: -150.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1802.628736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.628736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.628736 (E_RNA) where: Base-Base interactions energy: -1246.195 where: short stacking energy: -509.381 Base-Backbone interact. energy: 3.778 local terms energy: -560.211462 where: bonds (distance) C4'-P energy: -95.976 bonds (distance) P-C4' energy: -115.677 flat angles C4'-P-C4' energy: -124.490 flat angles P-C4'-P energy: -83.089 tors. eta vs tors. theta energy: -140.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1663.355221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.355221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.355221 (E_RNA) where: Base-Base interactions energy: -1120.157 where: short stacking energy: -494.389 Base-Backbone interact. energy: -2.080 local terms energy: -541.117479 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -125.029 flat angles C4'-P-C4' energy: -118.906 flat angles P-C4'-P energy: -68.281 tors. eta vs tors. theta energy: -136.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1373.316601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.316601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.316601 (E_RNA) where: Base-Base interactions energy: -871.405 where: short stacking energy: -409.452 Base-Backbone interact. energy: 0.051 local terms energy: -501.962837 where: bonds (distance) C4'-P energy: -124.138 bonds (distance) P-C4' energy: -93.826 flat angles C4'-P-C4' energy: -116.923 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -91.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -955.377939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.377939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.377939 (E_RNA) where: Base-Base interactions energy: -535.296 where: short stacking energy: -257.985 Base-Backbone interact. energy: -0.429 local terms energy: -419.652649 where: bonds (distance) C4'-P energy: -109.222 bonds (distance) P-C4' energy: -118.096 flat angles C4'-P-C4' energy: -100.631 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -28.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -756.096514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.096514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.096514 (E_RNA) where: Base-Base interactions energy: -383.391 where: short stacking energy: -213.503 Base-Backbone interact. energy: -4.345 local terms energy: -368.361143 where: bonds (distance) C4'-P energy: -115.254 bonds (distance) P-C4' energy: -100.979 flat angles C4'-P-C4' energy: -91.090 flat angles P-C4'-P energy: -68.006 tors. eta vs tors. theta energy: 6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -497.690074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.690074 (E_RNA) where: Base-Base interactions energy: -163.597 where: short stacking energy: -144.479 Base-Backbone interact. energy: 1.288 local terms energy: -335.380373 where: bonds (distance) C4'-P energy: -88.349 bonds (distance) P-C4' energy: -119.595 flat angles C4'-P-C4' energy: -86.493 flat angles P-C4'-P energy: -53.944 tors. eta vs tors. theta energy: 13.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2179.463345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.463345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.463345 (E_RNA) where: Base-Base interactions energy: -1478.552 where: short stacking energy: -645.572 Base-Backbone interact. energy: -2.811 local terms energy: -698.100013 where: bonds (distance) C4'-P energy: -132.980 bonds (distance) P-C4' energy: -119.171 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -198.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2097.756214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.756214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.756214 (E_RNA) where: Base-Base interactions energy: -1456.360 where: short stacking energy: -603.277 Base-Backbone interact. energy: -1.633 local terms energy: -639.763159 where: bonds (distance) C4'-P energy: -124.817 bonds (distance) P-C4' energy: -120.268 flat angles C4'-P-C4' energy: -133.130 flat angles P-C4'-P energy: -87.863 tors. eta vs tors. theta energy: -173.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1994.973420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.973420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.973420 (E_RNA) where: Base-Base interactions energy: -1391.217 where: short stacking energy: -602.036 Base-Backbone interact. energy: -0.454 local terms energy: -603.302196 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -115.930 flat angles C4'-P-C4' energy: -129.888 flat angles P-C4'-P energy: -82.403 tors. eta vs tors. theta energy: -175.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1828.651279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.651279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.651279 (E_RNA) where: Base-Base interactions energy: -1200.125 where: short stacking energy: -524.646 Base-Backbone interact. energy: -2.892 local terms energy: -625.634348 where: bonds (distance) C4'-P energy: -114.958 bonds (distance) P-C4' energy: -126.134 flat angles C4'-P-C4' energy: -135.030 flat angles P-C4'-P energy: -95.952 tors. eta vs tors. theta energy: -153.560 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: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1819.812852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.812852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.812852 (E_RNA) where: Base-Base interactions energy: -1251.805 where: short stacking energy: -541.297 Base-Backbone interact. energy: -1.670 local terms energy: -566.338345 where: bonds (distance) C4'-P energy: -106.591 bonds (distance) P-C4' energy: -119.084 flat angles C4'-P-C4' energy: -122.909 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -137.195 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: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1638.422293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.422293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.422293 (E_RNA) where: Base-Base interactions energy: -1120.889 where: short stacking energy: -481.839 Base-Backbone interact. energy: -0.730 local terms energy: -516.802531 where: bonds (distance) C4'-P energy: -95.563 bonds (distance) P-C4' energy: -107.423 flat angles C4'-P-C4' energy: -111.920 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -125.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1343.696503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.696503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.696503 (E_RNA) where: Base-Base interactions energy: -898.044 where: short stacking energy: -404.861 Base-Backbone interact. energy: -1.360 local terms energy: -444.293414 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -121.310 flat angles C4'-P-C4' energy: -98.519 flat angles P-C4'-P energy: -60.700 tors. eta vs tors. theta energy: -88.649 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: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1001.152415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.152415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.152415 (E_RNA) where: Base-Base interactions energy: -584.842 where: short stacking energy: -304.179 Base-Backbone interact. energy: 1.355 local terms energy: -417.665436 where: bonds (distance) C4'-P energy: -109.880 bonds (distance) P-C4' energy: -110.927 flat angles C4'-P-C4' energy: -117.028 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: -40.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -766.084670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.084670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.084670 (E_RNA) where: Base-Base interactions energy: -413.184 where: short stacking energy: -216.924 Base-Backbone interact. energy: 1.633 local terms energy: -354.534572 where: bonds (distance) C4'-P energy: -80.216 bonds (distance) P-C4' energy: -107.052 flat angles C4'-P-C4' energy: -106.330 flat angles P-C4'-P energy: -57.990 tors. eta vs tors. theta energy: -2.947 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: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -506.406056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.406056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.406056 (E_RNA) where: Base-Base interactions energy: -148.394 where: short stacking energy: -134.171 Base-Backbone interact. energy: -0.829 local terms energy: -357.183010 where: bonds (distance) C4'-P energy: -103.770 bonds (distance) P-C4' energy: -96.908 flat angles C4'-P-C4' energy: -100.324 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: 14.568 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: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2185.362849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.362849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.362849 (E_RNA) where: Base-Base interactions energy: -1462.682 where: short stacking energy: -648.587 Base-Backbone interact. energy: -0.334 local terms energy: -722.347171 where: bonds (distance) C4'-P energy: -128.286 bonds (distance) P-C4' energy: -132.577 flat angles C4'-P-C4' energy: -152.176 flat angles P-C4'-P energy: -113.354 tors. eta vs tors. theta energy: -195.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2138.426958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.426958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.426958 (E_RNA) where: Base-Base interactions energy: -1498.648 where: short stacking energy: -621.772 Base-Backbone interact. energy: -7.322 local terms energy: -632.456768 where: bonds (distance) C4'-P energy: -132.347 bonds (distance) P-C4' energy: -112.353 flat angles C4'-P-C4' energy: -136.567 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -176.124 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: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2026.677438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.677438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.677438 (E_RNA) where: Base-Base interactions energy: -1374.718 where: short stacking energy: -615.127 Base-Backbone interact. energy: -3.091 local terms energy: -648.867993 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -129.005 flat angles P-C4'-P energy: -90.144 tors. eta vs tors. theta energy: -181.321 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: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1848.248214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.248214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.248214 (E_RNA) where: Base-Base interactions energy: -1246.676 where: short stacking energy: -534.801 Base-Backbone interact. energy: -1.606 local terms energy: -599.966247 where: bonds (distance) C4'-P energy: -114.017 bonds (distance) P-C4' energy: -118.228 flat angles C4'-P-C4' energy: -121.923 flat angles P-C4'-P energy: -99.444 tors. eta vs tors. theta energy: -146.354 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: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1781.319947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.319947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.319947 (E_RNA) where: Base-Base interactions energy: -1219.164 where: short stacking energy: -538.170 Base-Backbone interact. energy: -2.141 local terms energy: -560.015252 where: bonds (distance) C4'-P energy: -90.277 bonds (distance) P-C4' energy: -116.643 flat angles C4'-P-C4' energy: -126.495 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -153.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1599.146773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.146773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.146773 (E_RNA) where: Base-Base interactions energy: -1059.304 where: short stacking energy: -478.243 Base-Backbone interact. energy: -2.305 local terms energy: -537.537380 where: bonds (distance) C4'-P energy: -103.272 bonds (distance) P-C4' energy: -107.595 flat angles C4'-P-C4' energy: -131.506 flat angles P-C4'-P energy: -69.220 tors. eta vs tors. theta energy: -125.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1366.565472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.565472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.565472 (E_RNA) where: Base-Base interactions energy: -876.725 where: short stacking energy: -406.892 Base-Backbone interact. energy: -1.751 local terms energy: -488.089543 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -114.468 flat angles C4'-P-C4' energy: -117.220 flat angles P-C4'-P energy: -62.125 tors. eta vs tors. theta energy: -98.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1013.670467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.670467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.670467 (E_RNA) where: Base-Base interactions energy: -590.267 where: short stacking energy: -294.450 Base-Backbone interact. energy: -2.083 local terms energy: -421.319613 where: bonds (distance) C4'-P energy: -101.939 bonds (distance) P-C4' energy: -105.461 flat angles C4'-P-C4' energy: -101.059 flat angles P-C4'-P energy: -47.765 tors. eta vs tors. theta energy: -65.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -701.879256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.879256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.879256 (E_RNA) where: Base-Base interactions energy: -350.561 where: short stacking energy: -190.693 Base-Backbone interact. energy: 2.303 local terms energy: -353.621682 where: bonds (distance) C4'-P energy: -101.956 bonds (distance) P-C4' energy: -99.658 flat angles C4'-P-C4' energy: -94.007 flat angles P-C4'-P energy: -65.090 tors. eta vs tors. theta energy: 7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -495.710711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.710711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.710711 (E_RNA) where: Base-Base interactions energy: -178.422 where: short stacking energy: -145.829 Base-Backbone interact. energy: -2.864 local terms energy: -314.424641 where: bonds (distance) C4'-P energy: -93.570 bonds (distance) P-C4' energy: -108.871 flat angles C4'-P-C4' energy: -91.355 flat angles P-C4'-P energy: -46.068 tors. eta vs tors. theta energy: 25.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2164.324858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.324858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.324858 (E_RNA) where: Base-Base interactions energy: -1461.209 where: short stacking energy: -651.856 Base-Backbone interact. energy: -1.347 local terms energy: -701.769758 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -133.832 flat angles C4'-P-C4' energy: -144.526 flat angles P-C4'-P energy: -90.348 tors. eta vs tors. theta energy: -200.008 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: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2099.918126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.918126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.918126 (E_RNA) where: Base-Base interactions energy: -1455.600 where: short stacking energy: -589.481 Base-Backbone interact. energy: -6.033 local terms energy: -638.284363 where: bonds (distance) C4'-P energy: -114.920 bonds (distance) P-C4' energy: -128.761 flat angles C4'-P-C4' energy: -140.323 flat angles P-C4'-P energy: -91.865 tors. eta vs tors. theta energy: -162.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1997.400843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.400843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.400843 (E_RNA) where: Base-Base interactions energy: -1353.734 where: short stacking energy: -588.361 Base-Backbone interact. energy: -1.248 local terms energy: -642.419096 where: bonds (distance) C4'-P energy: -114.642 bonds (distance) P-C4' energy: -128.742 flat angles C4'-P-C4' energy: -126.760 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -175.380 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: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1866.865066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.865066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.865066 (E_RNA) where: Base-Base interactions energy: -1282.169 where: short stacking energy: -567.944 Base-Backbone interact. energy: -3.823 local terms energy: -580.872637 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -118.479 flat angles P-C4'-P energy: -72.740 tors. eta vs tors. theta energy: -151.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1838.884952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.884952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.884952 (E_RNA) where: Base-Base interactions energy: -1253.860 where: short stacking energy: -560.236 Base-Backbone interact. energy: 0.031 local terms energy: -585.055797 where: bonds (distance) C4'-P energy: -102.263 bonds (distance) P-C4' energy: -107.310 flat angles C4'-P-C4' energy: -118.727 flat angles P-C4'-P energy: -90.916 tors. eta vs tors. theta energy: -165.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1586.261184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.261184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.261184 (E_RNA) where: Base-Base interactions energy: -1053.285 where: short stacking energy: -471.157 Base-Backbone interact. energy: 3.153 local terms energy: -536.129142 where: bonds (distance) C4'-P energy: -101.786 bonds (distance) P-C4' energy: -119.481 flat angles C4'-P-C4' energy: -120.256 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -118.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1360.540465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.540465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.540465 (E_RNA) where: Base-Base interactions energy: -828.923 where: short stacking energy: -391.284 Base-Backbone interact. energy: -1.035 local terms energy: -530.581981 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -116.148 flat angles C4'-P-C4' energy: -130.238 flat angles P-C4'-P energy: -77.630 tors. eta vs tors. theta energy: -96.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1047.920177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.920177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.920177 (E_RNA) where: Base-Base interactions energy: -612.752 where: short stacking energy: -304.879 Base-Backbone interact. energy: 1.921 local terms energy: -437.089122 where: bonds (distance) C4'-P energy: -105.414 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -110.571 flat angles P-C4'-P energy: -62.019 tors. eta vs tors. theta energy: -51.151 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: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -709.740845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.740845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.740845 (E_RNA) where: Base-Base interactions energy: -368.567 where: short stacking energy: -220.339 Base-Backbone interact. energy: 6.131 local terms energy: -347.304040 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -94.720 flat angles C4'-P-C4' energy: -98.914 flat angles P-C4'-P energy: -53.687 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -487.762042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.762042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.762042 (E_RNA) where: Base-Base interactions energy: -188.184 where: short stacking energy: -159.990 Base-Backbone interact. energy: 3.999 local terms energy: -303.576861 where: bonds (distance) C4'-P energy: -92.989 bonds (distance) P-C4' energy: -110.229 flat angles C4'-P-C4' energy: -88.106 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: 32.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2160.510771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.510771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.510771 (E_RNA) where: Base-Base interactions energy: -1449.520 where: short stacking energy: -638.184 Base-Backbone interact. energy: 0.179 local terms energy: -711.170323 where: bonds (distance) C4'-P energy: -122.949 bonds (distance) P-C4' energy: -134.259 flat angles C4'-P-C4' energy: -157.521 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -204.556 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: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2096.592684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.592684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.592684 (E_RNA) where: Base-Base interactions energy: -1462.924 where: short stacking energy: -610.760 Base-Backbone interact. energy: -4.478 local terms energy: -629.190355 where: bonds (distance) C4'-P energy: -118.113 bonds (distance) P-C4' energy: -116.355 flat angles C4'-P-C4' energy: -132.387 flat angles P-C4'-P energy: -96.183 tors. eta vs tors. theta energy: -166.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1982.250767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.250767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.250767 (E_RNA) where: Base-Base interactions energy: -1359.585 where: short stacking energy: -600.930 Base-Backbone interact. energy: -1.661 local terms energy: -621.004841 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -122.379 flat angles C4'-P-C4' energy: -138.958 flat angles P-C4'-P energy: -81.000 tors. eta vs tors. theta energy: -169.142 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: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1908.171321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.171321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.171321 (E_RNA) where: Base-Base interactions energy: -1313.586 where: short stacking energy: -552.347 Base-Backbone interact. energy: 1.490 local terms energy: -596.075771 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -115.214 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -90.708 tors. eta vs tors. theta energy: -139.825 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: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1850.541064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.541064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.541064 (E_RNA) where: Base-Base interactions energy: -1233.105 where: short stacking energy: -549.703 Base-Backbone interact. energy: -3.919 local terms energy: -613.517544 where: bonds (distance) C4'-P energy: -122.220 bonds (distance) P-C4' energy: -115.704 flat angles C4'-P-C4' energy: -129.880 flat angles P-C4'-P energy: -90.012 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: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1531.744909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.744909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.744909 (E_RNA) where: Base-Base interactions energy: -991.435 where: short stacking energy: -440.825 Base-Backbone interact. energy: -0.998 local terms energy: -539.311634 where: bonds (distance) C4'-P energy: -101.601 bonds (distance) P-C4' energy: -110.013 flat angles C4'-P-C4' energy: -136.752 flat angles P-C4'-P energy: -81.085 tors. eta vs tors. theta energy: -109.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1378.528678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.528678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.528678 (E_RNA) where: Base-Base interactions energy: -890.481 where: short stacking energy: -388.535 Base-Backbone interact. energy: -0.745 local terms energy: -487.302901 where: bonds (distance) C4'-P energy: -94.719 bonds (distance) P-C4' energy: -100.567 flat angles C4'-P-C4' energy: -115.962 flat angles P-C4'-P energy: -71.965 tors. eta vs tors. theta energy: -104.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1029.810988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.810988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.810988 (E_RNA) where: Base-Base interactions energy: -615.112 where: short stacking energy: -304.754 Base-Backbone interact. energy: 3.763 local terms energy: -418.461857 where: bonds (distance) C4'-P energy: -98.590 bonds (distance) P-C4' energy: -100.727 flat angles C4'-P-C4' energy: -99.704 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -44.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -694.301908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.301908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.301908 (E_RNA) where: Base-Base interactions energy: -341.491 where: short stacking energy: -200.599 Base-Backbone interact. energy: 0.835 local terms energy: -353.646371 where: bonds (distance) C4'-P energy: -114.992 bonds (distance) P-C4' energy: -98.903 flat angles C4'-P-C4' energy: -81.868 flat angles P-C4'-P energy: -63.057 tors. eta vs tors. theta energy: 5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -502.788551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.788551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.788551 (E_RNA) where: Base-Base interactions energy: -161.282 where: short stacking energy: -130.870 Base-Backbone interact. energy: 1.225 local terms energy: -342.731669 where: bonds (distance) C4'-P energy: -84.092 bonds (distance) P-C4' energy: -98.799 flat angles C4'-P-C4' energy: -104.850 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: 18.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2177.556597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.556597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.556597 (E_RNA) where: Base-Base interactions energy: -1480.570 where: short stacking energy: -654.007 Base-Backbone interact. energy: -0.255 local terms energy: -696.731729 where: bonds (distance) C4'-P energy: -135.980 bonds (distance) P-C4' energy: -121.072 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -99.634 tors. eta vs tors. theta energy: -197.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2096.971419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.971419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.971419 (E_RNA) where: Base-Base interactions energy: -1441.923 where: short stacking energy: -606.360 Base-Backbone interact. energy: -8.390 local terms energy: -646.658939 where: bonds (distance) C4'-P energy: -119.564 bonds (distance) P-C4' energy: -133.091 flat angles C4'-P-C4' energy: -142.206 flat angles P-C4'-P energy: -80.852 tors. eta vs tors. theta energy: -170.946 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2037.578679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.578679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.578679 (E_RNA) where: Base-Base interactions energy: -1404.923 where: short stacking energy: -609.040 Base-Backbone interact. energy: -1.946 local terms energy: -630.709620 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -116.045 flat angles C4'-P-C4' energy: -132.228 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -182.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1853.634818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.634818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.634818 (E_RNA) where: Base-Base interactions energy: -1260.844 where: short stacking energy: -553.542 Base-Backbone interact. energy: 0.843 local terms energy: -593.633771 where: bonds (distance) C4'-P energy: -119.365 bonds (distance) P-C4' energy: -128.515 flat angles C4'-P-C4' energy: -122.033 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -147.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1831.774003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.774003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.774003 (E_RNA) where: Base-Base interactions energy: -1243.220 where: short stacking energy: -534.340 Base-Backbone interact. energy: -1.497 local terms energy: -587.056804 where: bonds (distance) C4'-P energy: -118.080 bonds (distance) P-C4' energy: -112.498 flat angles C4'-P-C4' energy: -122.331 flat angles P-C4'-P energy: -84.850 tors. eta vs tors. theta energy: -149.298 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: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1533.715207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.715207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.715207 (E_RNA) where: Base-Base interactions energy: -1012.835 where: short stacking energy: -447.419 Base-Backbone interact. energy: -2.432 local terms energy: -518.448376 where: bonds (distance) C4'-P energy: -105.392 bonds (distance) P-C4' energy: -95.741 flat angles C4'-P-C4' energy: -133.907 flat angles P-C4'-P energy: -71.855 tors. eta vs tors. theta energy: -111.553 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: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1374.334950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.334950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.334950 (E_RNA) where: Base-Base interactions energy: -898.139 where: short stacking energy: -368.735 Base-Backbone interact. energy: -1.170 local terms energy: -475.025990 where: bonds (distance) C4'-P energy: -101.957 bonds (distance) P-C4' energy: -119.091 flat angles C4'-P-C4' energy: -101.137 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -82.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1076.540238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.540238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.540238 (E_RNA) where: Base-Base interactions energy: -645.155 where: short stacking energy: -325.153 Base-Backbone interact. energy: 0.324 local terms energy: -431.709374 where: bonds (distance) C4'-P energy: -102.309 bonds (distance) P-C4' energy: -101.561 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -70.132 tors. eta vs tors. theta energy: -41.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -721.488476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.488476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.488476 (E_RNA) where: Base-Base interactions energy: -371.856 where: short stacking energy: -207.190 Base-Backbone interact. energy: 1.776 local terms energy: -351.409004 where: bonds (distance) C4'-P energy: -95.540 bonds (distance) P-C4' energy: -115.732 flat angles C4'-P-C4' energy: -84.681 flat angles P-C4'-P energy: -59.936 tors. eta vs tors. theta energy: 4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -516.278349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.278349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.278349 (E_RNA) where: Base-Base interactions energy: -175.326 where: short stacking energy: -126.881 Base-Backbone interact. energy: 1.026 local terms energy: -341.978434 where: bonds (distance) C4'-P energy: -99.820 bonds (distance) P-C4' energy: -111.919 flat angles C4'-P-C4' energy: -101.374 flat angles P-C4'-P energy: -51.171 tors. eta vs tors. theta energy: 22.305 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: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2196.180698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.180698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.180698 (E_RNA) where: Base-Base interactions energy: -1512.376 where: short stacking energy: -634.043 Base-Backbone interact. energy: -3.360 local terms energy: -680.444571 where: bonds (distance) C4'-P energy: -124.852 bonds (distance) P-C4' energy: -126.896 flat angles C4'-P-C4' energy: -134.322 flat angles P-C4'-P energy: -96.397 tors. eta vs tors. theta energy: -197.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2112.374595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.374595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.374595 (E_RNA) where: Base-Base interactions energy: -1457.977 where: short stacking energy: -620.753 Base-Backbone interact. energy: -7.153 local terms energy: -647.245497 where: bonds (distance) C4'-P energy: -119.282 bonds (distance) P-C4' energy: -124.265 flat angles C4'-P-C4' energy: -142.252 flat angles P-C4'-P energy: -95.026 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2034.885646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.885646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.885646 (E_RNA) where: Base-Base interactions energy: -1409.294 where: short stacking energy: -600.288 Base-Backbone interact. energy: 1.744 local terms energy: -627.335071 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -115.708 flat angles C4'-P-C4' energy: -138.103 flat angles P-C4'-P energy: -88.515 tors. eta vs tors. theta energy: -176.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1835.223609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.223609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.223609 (E_RNA) where: Base-Base interactions energy: -1249.791 where: short stacking energy: -528.850 Base-Backbone interact. energy: -3.249 local terms energy: -582.183400 where: bonds (distance) C4'-P energy: -101.199 bonds (distance) P-C4' energy: -126.906 flat angles C4'-P-C4' energy: -133.048 flat angles P-C4'-P energy: -87.358 tors. eta vs tors. theta energy: -133.673 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1831.621262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.621262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.621262 (E_RNA) where: Base-Base interactions energy: -1258.127 where: short stacking energy: -546.123 Base-Backbone interact. energy: -1.692 local terms energy: -571.802264 where: bonds (distance) C4'-P energy: -96.905 bonds (distance) P-C4' energy: -121.057 flat angles C4'-P-C4' energy: -128.483 flat angles P-C4'-P energy: -72.888 tors. eta vs tors. theta energy: -152.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1505.495000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.495000 (E_RNA) where: Base-Base interactions energy: -996.042 where: short stacking energy: -447.760 Base-Backbone interact. energy: -0.898 local terms energy: -508.555700 where: bonds (distance) C4'-P energy: -104.076 bonds (distance) P-C4' energy: -106.780 flat angles C4'-P-C4' energy: -117.641 flat angles P-C4'-P energy: -74.224 tors. eta vs tors. theta energy: -105.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1335.533842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.533842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.533842 (E_RNA) where: Base-Base interactions energy: -843.388 where: short stacking energy: -410.466 Base-Backbone interact. energy: 3.577 local terms energy: -495.722919 where: bonds (distance) C4'-P energy: -103.751 bonds (distance) P-C4' energy: -125.315 flat angles C4'-P-C4' energy: -109.126 flat angles P-C4'-P energy: -62.776 tors. eta vs tors. theta energy: -94.754 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: 243 Temperature: 1.250000 Total energy: -1044.813425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.813425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.813425 (E_RNA) where: Base-Base interactions energy: -630.160 where: short stacking energy: -299.109 Base-Backbone interact. energy: 0.910 local terms energy: -415.564065 where: bonds (distance) C4'-P energy: -107.785 bonds (distance) P-C4' energy: -101.299 flat angles C4'-P-C4' energy: -102.813 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -34.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -736.762296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.762296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.762296 (E_RNA) where: Base-Base interactions energy: -378.354 where: short stacking energy: -208.472 Base-Backbone interact. energy: 0.787 local terms energy: -359.194911 where: bonds (distance) C4'-P energy: -92.025 bonds (distance) P-C4' energy: -111.524 flat angles C4'-P-C4' energy: -82.413 flat angles P-C4'-P energy: -66.675 tors. eta vs tors. theta energy: -6.557 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: 243 Temperature: 1.350000 Total energy: -489.167032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.167032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.167032 (E_RNA) where: Base-Base interactions energy: -205.055 where: short stacking energy: -172.953 Base-Backbone interact. energy: 0.103 local terms energy: -284.214838 where: bonds (distance) C4'-P energy: -96.944 bonds (distance) P-C4' energy: -102.646 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: 17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2186.668746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.668746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.668746 (E_RNA) where: Base-Base interactions energy: -1514.545 where: short stacking energy: -673.494 Base-Backbone interact. energy: -3.144 local terms energy: -668.979051 where: bonds (distance) C4'-P energy: -118.971 bonds (distance) P-C4' energy: -116.585 flat angles C4'-P-C4' energy: -137.018 flat angles P-C4'-P energy: -103.388 tors. eta vs tors. theta energy: -193.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2123.325957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.325957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.325957 (E_RNA) where: Base-Base interactions energy: -1473.548 where: short stacking energy: -610.155 Base-Backbone interact. energy: -6.291 local terms energy: -643.487304 where: bonds (distance) C4'-P energy: -119.699 bonds (distance) P-C4' energy: -125.937 flat angles C4'-P-C4' energy: -132.960 flat angles P-C4'-P energy: -85.490 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: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2021.085007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.085007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.085007 (E_RNA) where: Base-Base interactions energy: -1378.370 where: short stacking energy: -603.722 Base-Backbone interact. energy: -4.737 local terms energy: -637.978213 where: bonds (distance) C4'-P energy: -104.997 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -141.489 flat angles P-C4'-P energy: -89.146 tors. eta vs tors. theta energy: -182.951 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: 244 Temperature: 1.050000 Total energy: -1868.169408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.169408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.169408 (E_RNA) where: Base-Base interactions energy: -1270.120 where: short stacking energy: -539.476 Base-Backbone interact. energy: -3.302 local terms energy: -594.746650 where: bonds (distance) C4'-P energy: -123.245 bonds (distance) P-C4' energy: -120.679 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -89.107 tors. eta vs tors. theta energy: -144.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1818.171238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.171238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.171238 (E_RNA) where: Base-Base interactions energy: -1221.605 where: short stacking energy: -558.386 Base-Backbone interact. energy: 4.227 local terms energy: -600.793574 where: bonds (distance) C4'-P energy: -120.008 bonds (distance) P-C4' energy: -105.971 flat angles C4'-P-C4' energy: -126.976 flat angles P-C4'-P energy: -95.371 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: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1509.505700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.505700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.505700 (E_RNA) where: Base-Base interactions energy: -996.122 where: short stacking energy: -444.886 Base-Backbone interact. energy: -3.626 local terms energy: -509.756962 where: bonds (distance) C4'-P energy: -99.448 bonds (distance) P-C4' energy: -92.765 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -80.865 tors. eta vs tors. theta energy: -127.439 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: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1352.206724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.206724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.206724 (E_RNA) where: Base-Base interactions energy: -840.291 where: short stacking energy: -378.154 Base-Backbone interact. energy: 1.116 local terms energy: -513.031172 where: bonds (distance) C4'-P energy: -91.404 bonds (distance) P-C4' energy: -115.402 flat angles C4'-P-C4' energy: -123.244 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -96.422 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: 244 Temperature: 1.250000 Total energy: -1083.778753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.778753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.778753 (E_RNA) where: Base-Base interactions energy: -642.956 where: short stacking energy: -301.288 Base-Backbone interact. energy: -2.095 local terms energy: -438.727885 where: bonds (distance) C4'-P energy: -103.567 bonds (distance) P-C4' energy: -123.455 flat angles C4'-P-C4' energy: -108.177 flat angles P-C4'-P energy: -68.591 tors. eta vs tors. theta energy: -34.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -765.965064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.965064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.965064 (E_RNA) where: Base-Base interactions energy: -417.137 where: short stacking energy: -209.182 Base-Backbone interact. energy: 1.310 local terms energy: -350.138038 where: bonds (distance) C4'-P energy: -85.762 bonds (distance) P-C4' energy: -93.501 flat angles C4'-P-C4' energy: -109.889 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -517.023649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.023649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.023649 (E_RNA) where: Base-Base interactions energy: -192.537 where: short stacking energy: -169.687 Base-Backbone interact. energy: 9.927 local terms energy: -334.413553 where: bonds (distance) C4'-P energy: -119.881 bonds (distance) P-C4' energy: -103.969 flat angles C4'-P-C4' energy: -73.075 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: 11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2199.098326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.098326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.098326 (E_RNA) where: Base-Base interactions energy: -1509.903 where: short stacking energy: -666.457 Base-Backbone interact. energy: -2.268 local terms energy: -686.927327 where: bonds (distance) C4'-P energy: -125.353 bonds (distance) P-C4' energy: -140.891 flat angles C4'-P-C4' energy: -135.966 flat angles P-C4'-P energy: -81.600 tors. eta vs tors. theta energy: -203.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2110.944472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.944472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.944472 (E_RNA) where: Base-Base interactions energy: -1456.686 where: short stacking energy: -605.305 Base-Backbone interact. energy: -9.256 local terms energy: -645.002808 where: bonds (distance) C4'-P energy: -105.817 bonds (distance) P-C4' energy: -119.563 flat angles C4'-P-C4' energy: -151.057 flat angles P-C4'-P energy: -87.825 tors. eta vs tors. theta energy: -180.740 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: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1959.904913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.904913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.904913 (E_RNA) where: Base-Base interactions energy: -1336.109 where: short stacking energy: -604.986 Base-Backbone interact. energy: -1.049 local terms energy: -622.746725 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -115.207 flat angles C4'-P-C4' energy: -135.388 flat angles P-C4'-P energy: -82.456 tors. eta vs tors. theta energy: -172.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1889.531024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.531024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.531024 (E_RNA) where: Base-Base interactions energy: -1292.680 where: short stacking energy: -574.130 Base-Backbone interact. energy: 1.493 local terms energy: -598.343865 where: bonds (distance) C4'-P energy: -113.771 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -138.753 flat angles P-C4'-P energy: -81.282 tors. eta vs tors. theta energy: -152.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1731.610858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.610858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.610858 (E_RNA) where: Base-Base interactions energy: -1147.704 where: short stacking energy: -517.350 Base-Backbone interact. energy: -1.104 local terms energy: -582.803105 where: bonds (distance) C4'-P energy: -126.815 bonds (distance) P-C4' energy: -117.610 flat angles C4'-P-C4' energy: -121.071 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -138.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1557.333949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.333949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.333949 (E_RNA) where: Base-Base interactions energy: -1050.228 where: short stacking energy: -457.385 Base-Backbone interact. energy: -2.289 local terms energy: -504.817056 where: bonds (distance) C4'-P energy: -96.286 bonds (distance) P-C4' energy: -111.477 flat angles C4'-P-C4' energy: -121.835 flat angles P-C4'-P energy: -64.468 tors. eta vs tors. theta energy: -110.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1387.109310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.109310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.109310 (E_RNA) where: Base-Base interactions energy: -867.285 where: short stacking energy: -389.160 Base-Backbone interact. energy: -2.115 local terms energy: -517.708855 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -104.109 flat angles C4'-P-C4' energy: -112.969 flat angles P-C4'-P energy: -84.402 tors. eta vs tors. theta energy: -100.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1097.595219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.595219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.595219 (E_RNA) where: Base-Base interactions energy: -672.986 where: short stacking energy: -302.357 Base-Backbone interact. energy: 3.748 local terms energy: -428.358161 where: bonds (distance) C4'-P energy: -103.281 bonds (distance) P-C4' energy: -111.431 flat angles C4'-P-C4' energy: -106.628 flat angles P-C4'-P energy: -58.512 tors. eta vs tors. theta energy: -48.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -774.270790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.270790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.270790 (E_RNA) where: Base-Base interactions energy: -405.133 where: short stacking energy: -218.686 Base-Backbone interact. energy: 3.799 local terms energy: -372.936146 where: bonds (distance) C4'-P energy: -102.001 bonds (distance) P-C4' energy: -119.642 flat angles C4'-P-C4' energy: -82.743 flat angles P-C4'-P energy: -58.094 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -500.874730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.874730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.874730 (E_RNA) where: Base-Base interactions energy: -187.110 where: short stacking energy: -155.256 Base-Backbone interact. energy: -1.040 local terms energy: -312.724748 where: bonds (distance) C4'-P energy: -103.933 bonds (distance) P-C4' energy: -115.329 flat angles C4'-P-C4' energy: -71.145 flat angles P-C4'-P energy: -41.169 tors. eta vs tors. theta energy: 18.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2181.439943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.439943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.439943 (E_RNA) where: Base-Base interactions energy: -1471.680 where: short stacking energy: -652.738 Base-Backbone interact. energy: -1.739 local terms energy: -708.021222 where: bonds (distance) C4'-P energy: -131.567 bonds (distance) P-C4' energy: -137.564 flat angles C4'-P-C4' energy: -145.664 flat angles P-C4'-P energy: -89.266 tors. eta vs tors. theta energy: -203.960 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: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2137.183865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.183865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.183865 (E_RNA) where: Base-Base interactions energy: -1507.363 where: short stacking energy: -604.832 Base-Backbone interact. energy: -2.242 local terms energy: -627.578906 where: bonds (distance) C4'-P energy: -98.109 bonds (distance) P-C4' energy: -131.685 flat angles C4'-P-C4' energy: -140.132 flat angles P-C4'-P energy: -82.887 tors. eta vs tors. theta energy: -174.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1993.773169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.773169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.773169 (E_RNA) where: Base-Base interactions energy: -1364.307 where: short stacking energy: -581.689 Base-Backbone interact. energy: 1.944 local terms energy: -631.410574 where: bonds (distance) C4'-P energy: -116.380 bonds (distance) P-C4' energy: -118.877 flat angles C4'-P-C4' energy: -136.952 flat angles P-C4'-P energy: -84.667 tors. eta vs tors. theta energy: -174.534 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: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1911.351760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.351760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.351760 (E_RNA) where: Base-Base interactions energy: -1306.641 where: short stacking energy: -555.075 Base-Backbone interact. energy: 0.316 local terms energy: -605.026732 where: bonds (distance) C4'-P energy: -113.336 bonds (distance) P-C4' energy: -124.171 flat angles C4'-P-C4' energy: -115.146 flat angles P-C4'-P energy: -93.120 tors. eta vs tors. theta energy: -159.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1780.583719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.583719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.583719 (E_RNA) where: Base-Base interactions energy: -1189.502 where: short stacking energy: -541.348 Base-Backbone interact. energy: -0.979 local terms energy: -590.102758 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -117.753 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -75.890 tors. eta vs tors. theta energy: -163.271 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: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1559.478613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.478613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.478613 (E_RNA) where: Base-Base interactions energy: -1074.453 where: short stacking energy: -435.027 Base-Backbone interact. energy: 6.492 local terms energy: -491.517056 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -114.839 flat angles C4'-P-C4' energy: -95.944 flat angles P-C4'-P energy: -73.846 tors. eta vs tors. theta energy: -94.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1376.534165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.534165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.534165 (E_RNA) where: Base-Base interactions energy: -904.015 where: short stacking energy: -392.414 Base-Backbone interact. energy: -1.506 local terms energy: -471.012961 where: bonds (distance) C4'-P energy: -104.075 bonds (distance) P-C4' energy: -94.885 flat angles C4'-P-C4' energy: -99.550 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -94.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1088.821881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.821881 (E_RNA) where: Base-Base interactions energy: -672.851 where: short stacking energy: -325.165 Base-Backbone interact. energy: 2.960 local terms energy: -418.930851 where: bonds (distance) C4'-P energy: -97.929 bonds (distance) P-C4' energy: -110.870 flat angles C4'-P-C4' energy: -74.938 flat angles P-C4'-P energy: -70.572 tors. eta vs tors. theta energy: -64.622 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: 6 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -811.972092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.972092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.972092 (E_RNA) where: Base-Base interactions energy: -436.375 where: short stacking energy: -238.155 Base-Backbone interact. energy: 1.706 local terms energy: -377.303685 where: bonds (distance) C4'-P energy: -96.224 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -84.807 flat angles P-C4'-P energy: -61.048 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -520.117165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.117165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.117165 (E_RNA) where: Base-Base interactions energy: -203.514 where: short stacking energy: -152.032 Base-Backbone interact. energy: 2.612 local terms energy: -319.215168 where: bonds (distance) C4'-P energy: -111.026 bonds (distance) P-C4' energy: -104.880 flat angles C4'-P-C4' energy: -89.984 flat angles P-C4'-P energy: -32.844 tors. eta vs tors. theta energy: 19.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2181.895016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.895016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.895016 (E_RNA) where: Base-Base interactions energy: -1476.879 where: short stacking energy: -655.590 Base-Backbone interact. energy: -0.724 local terms energy: -704.291968 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -136.787 flat angles C4'-P-C4' energy: -141.876 flat angles P-C4'-P energy: -103.590 tors. eta vs tors. theta energy: -203.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2126.183693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.183693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.183693 (E_RNA) where: Base-Base interactions energy: -1482.495 where: short stacking energy: -614.424 Base-Backbone interact. energy: -7.946 local terms energy: -635.742526 where: bonds (distance) C4'-P energy: -118.335 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -132.976 flat angles P-C4'-P energy: -89.799 tors. eta vs tors. theta energy: -173.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2038.604896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.604896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.604896 (E_RNA) where: Base-Base interactions energy: -1393.781 where: short stacking energy: -616.049 Base-Backbone interact. energy: -0.293 local terms energy: -644.530829 where: bonds (distance) C4'-P energy: -118.448 bonds (distance) P-C4' energy: -129.391 flat angles C4'-P-C4' energy: -136.978 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -179.196 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: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1922.882140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.882140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.882140 (E_RNA) where: Base-Base interactions energy: -1286.917 where: short stacking energy: -548.987 Base-Backbone interact. energy: 1.223 local terms energy: -637.188066 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -132.692 flat angles C4'-P-C4' energy: -134.490 flat angles P-C4'-P energy: -88.032 tors. eta vs tors. theta energy: -158.599 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: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1791.447418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.447418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.447418 (E_RNA) where: Base-Base interactions energy: -1216.540 where: short stacking energy: -547.508 Base-Backbone interact. energy: -3.080 local terms energy: -571.827592 where: bonds (distance) C4'-P energy: -108.985 bonds (distance) P-C4' energy: -102.887 flat angles C4'-P-C4' energy: -132.240 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: -149.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1529.791107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.791107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.791107 (E_RNA) where: Base-Base interactions energy: -981.454 where: short stacking energy: -429.974 Base-Backbone interact. energy: -2.212 local terms energy: -546.125284 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -132.153 flat angles C4'-P-C4' energy: -128.134 flat angles P-C4'-P energy: -74.616 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: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1413.532672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.532672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.532672 (E_RNA) where: Base-Base interactions energy: -891.008 where: short stacking energy: -403.104 Base-Backbone interact. energy: -1.604 local terms energy: -520.920220 where: bonds (distance) C4'-P energy: -111.209 bonds (distance) P-C4' energy: -117.988 flat angles C4'-P-C4' energy: -112.148 flat angles P-C4'-P energy: -81.484 tors. eta vs tors. theta energy: -98.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1052.178889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.178889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.178889 (E_RNA) where: Base-Base interactions energy: -618.353 where: short stacking energy: -289.075 Base-Backbone interact. energy: -1.159 local terms energy: -432.667237 where: bonds (distance) C4'-P energy: -102.778 bonds (distance) P-C4' energy: -110.962 flat angles C4'-P-C4' energy: -107.571 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -29.200 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: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -783.319586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.319586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.319586 (E_RNA) where: Base-Base interactions energy: -427.229 where: short stacking energy: -233.477 Base-Backbone interact. energy: -1.917 local terms energy: -354.174182 where: bonds (distance) C4'-P energy: -103.187 bonds (distance) P-C4' energy: -101.777 flat angles C4'-P-C4' energy: -104.508 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -11.036 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: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -496.841361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.841361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.841361 (E_RNA) where: Base-Base interactions energy: -181.512 where: short stacking energy: -153.238 Base-Backbone interact. energy: 0.504 local terms energy: -315.833693 where: bonds (distance) C4'-P energy: -80.128 bonds (distance) P-C4' energy: -116.405 flat angles C4'-P-C4' energy: -79.197 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: 15.286 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: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2199.316977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.316977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.316977 (E_RNA) where: Base-Base interactions energy: -1488.539 where: short stacking energy: -664.673 Base-Backbone interact. energy: -3.037 local terms energy: -707.740668 where: bonds (distance) C4'-P energy: -126.803 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -149.637 flat angles P-C4'-P energy: -103.209 tors. eta vs tors. theta energy: -196.851 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: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2107.483017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.483017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.483017 (E_RNA) where: Base-Base interactions energy: -1432.128 where: short stacking energy: -587.815 Base-Backbone interact. energy: -4.811 local terms energy: -670.544299 where: bonds (distance) C4'-P energy: -124.506 bonds (distance) P-C4' energy: -124.776 flat angles C4'-P-C4' energy: -135.768 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -186.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2007.752472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.752472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.752472 (E_RNA) where: Base-Base interactions energy: -1376.399 where: short stacking energy: -581.051 Base-Backbone interact. energy: -2.406 local terms energy: -628.947547 where: bonds (distance) C4'-P energy: -110.600 bonds (distance) P-C4' energy: -119.438 flat angles C4'-P-C4' energy: -132.599 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -169.773 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: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1890.245609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.245609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.245609 (E_RNA) where: Base-Base interactions energy: -1290.947 where: short stacking energy: -557.206 Base-Backbone interact. energy: 0.058 local terms energy: -599.356847 where: bonds (distance) C4'-P energy: -124.265 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -131.132 flat angles P-C4'-P energy: -86.438 tors. eta vs tors. theta energy: -142.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1812.515778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.515778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.515778 (E_RNA) where: Base-Base interactions energy: -1200.508 where: short stacking energy: -550.932 Base-Backbone interact. energy: -2.154 local terms energy: -609.854044 where: bonds (distance) C4'-P energy: -106.075 bonds (distance) P-C4' energy: -115.308 flat angles C4'-P-C4' energy: -132.748 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -160.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1540.273587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.273587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.273587 (E_RNA) where: Base-Base interactions energy: -1050.434 where: short stacking energy: -449.194 Base-Backbone interact. energy: -1.209 local terms energy: -488.630572 where: bonds (distance) C4'-P energy: -76.811 bonds (distance) P-C4' energy: -116.674 flat angles C4'-P-C4' energy: -127.147 flat angles P-C4'-P energy: -60.925 tors. eta vs tors. theta energy: -107.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1417.975555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.975555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.975555 (E_RNA) where: Base-Base interactions energy: -935.474 where: short stacking energy: -418.315 Base-Backbone interact. energy: 4.863 local terms energy: -487.364405 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -93.217 flat angles C4'-P-C4' energy: -107.869 flat angles P-C4'-P energy: -74.440 tors. eta vs tors. theta energy: -108.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1089.218149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.218149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.218149 (E_RNA) where: Base-Base interactions energy: -687.888 where: short stacking energy: -333.501 Base-Backbone interact. energy: -5.684 local terms energy: -395.645795 where: bonds (distance) C4'-P energy: -84.602 bonds (distance) P-C4' energy: -102.838 flat angles C4'-P-C4' energy: -98.231 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: -43.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -807.225488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.225488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.225488 (E_RNA) where: Base-Base interactions energy: -420.910 where: short stacking energy: -227.834 Base-Backbone interact. energy: -2.184 local terms energy: -384.131686 where: bonds (distance) C4'-P energy: -114.992 bonds (distance) P-C4' energy: -104.724 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: -23.295 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: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -513.517318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.517318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.517318 (E_RNA) where: Base-Base interactions energy: -214.247 where: short stacking energy: -172.246 Base-Backbone interact. energy: 3.997 local terms energy: -303.266936 where: bonds (distance) C4'-P energy: -88.855 bonds (distance) P-C4' energy: -100.372 flat angles C4'-P-C4' energy: -80.305 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: 15.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2182.121664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.121664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.121664 (E_RNA) where: Base-Base interactions energy: -1495.167 where: short stacking energy: -641.980 Base-Backbone interact. energy: -4.810 local terms energy: -682.145116 where: bonds (distance) C4'-P energy: -110.876 bonds (distance) P-C4' energy: -134.305 flat angles C4'-P-C4' energy: -148.938 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -198.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2108.649596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.649596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.649596 (E_RNA) where: Base-Base interactions energy: -1448.447 where: short stacking energy: -590.237 Base-Backbone interact. energy: -7.131 local terms energy: -653.071478 where: bonds (distance) C4'-P energy: -129.037 bonds (distance) P-C4' energy: -121.128 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -89.788 tors. eta vs tors. theta energy: -170.812 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: 249 Temperature: 1.000000 Total energy: -2018.633996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.633996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.633996 (E_RNA) where: Base-Base interactions energy: -1375.595 where: short stacking energy: -601.734 Base-Backbone interact. energy: 0.941 local terms energy: -643.979386 where: bonds (distance) C4'-P energy: -113.911 bonds (distance) P-C4' energy: -127.564 flat angles C4'-P-C4' energy: -140.452 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -181.122 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: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1926.109379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.109379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.109379 (E_RNA) where: Base-Base interactions energy: -1305.387 where: short stacking energy: -565.818 Base-Backbone interact. energy: -2.557 local terms energy: -618.165293 where: bonds (distance) C4'-P energy: -114.861 bonds (distance) P-C4' energy: -107.655 flat angles C4'-P-C4' energy: -142.977 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -156.230 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: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1757.152663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.152663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.152663 (E_RNA) where: Base-Base interactions energy: -1157.841 where: short stacking energy: -534.601 Base-Backbone interact. energy: -0.199 local terms energy: -599.112614 where: bonds (distance) C4'-P energy: -104.864 bonds (distance) P-C4' energy: -120.009 flat angles C4'-P-C4' energy: -141.758 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -146.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1583.730949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.730949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.730949 (E_RNA) where: Base-Base interactions energy: -1026.412 where: short stacking energy: -437.409 Base-Backbone interact. energy: -2.388 local terms energy: -554.931456 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -116.053 flat angles C4'-P-C4' energy: -124.459 flat angles P-C4'-P energy: -84.003 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: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1396.436969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.436969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.436969 (E_RNA) where: Base-Base interactions energy: -907.594 where: short stacking energy: -403.323 Base-Backbone interact. energy: 6.466 local terms energy: -495.308424 where: bonds (distance) C4'-P energy: -115.364 bonds (distance) P-C4' energy: -118.683 flat angles C4'-P-C4' energy: -115.133 flat angles P-C4'-P energy: -54.041 tors. eta vs tors. theta energy: -92.088 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: 249 Temperature: 1.250000 Total energy: -1110.538222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.538222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.538222 (E_RNA) where: Base-Base interactions energy: -687.131 where: short stacking energy: -344.490 Base-Backbone interact. energy: -1.823 local terms energy: -421.584170 where: bonds (distance) C4'-P energy: -98.549 bonds (distance) P-C4' energy: -99.433 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: -55.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -763.002042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.002042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.002042 (E_RNA) where: Base-Base interactions energy: -382.071 where: short stacking energy: -223.080 Base-Backbone interact. energy: 1.858 local terms energy: -382.789313 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -96.666 flat angles P-C4'-P energy: -69.754 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: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -503.927539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.927539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.927539 (E_RNA) where: Base-Base interactions energy: -180.803 where: short stacking energy: -155.902 Base-Backbone interact. energy: -1.397 local terms energy: -321.727149 where: bonds (distance) C4'-P energy: -91.046 bonds (distance) P-C4' energy: -114.284 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -50.845 tors. eta vs tors. theta energy: 24.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2199.625941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.625941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.625941 (E_RNA) where: Base-Base interactions energy: -1499.300 where: short stacking energy: -656.456 Base-Backbone interact. energy: -3.343 local terms energy: -696.982652 where: bonds (distance) C4'-P energy: -123.177 bonds (distance) P-C4' energy: -126.005 flat angles C4'-P-C4' energy: -153.242 flat angles P-C4'-P energy: -94.562 tors. eta vs tors. theta energy: -199.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2113.371799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.371799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.371799 (E_RNA) where: Base-Base interactions energy: -1437.330 where: short stacking energy: -607.092 Base-Backbone interact. energy: -8.286 local terms energy: -667.755817 where: bonds (distance) C4'-P energy: -131.327 bonds (distance) P-C4' energy: -120.298 flat angles C4'-P-C4' energy: -145.628 flat angles P-C4'-P energy: -94.126 tors. eta vs tors. theta energy: -176.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2028.735428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.735428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.735428 (E_RNA) where: Base-Base interactions energy: -1383.133 where: short stacking energy: -599.685 Base-Backbone interact. energy: 1.149 local terms energy: -646.751944 where: bonds (distance) C4'-P energy: -119.509 bonds (distance) P-C4' energy: -117.420 flat angles C4'-P-C4' energy: -138.578 flat angles P-C4'-P energy: -87.484 tors. eta vs tors. theta energy: -183.761 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: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1942.049411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.049411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.049411 (E_RNA) where: Base-Base interactions energy: -1328.547 where: short stacking energy: -572.641 Base-Backbone interact. energy: -2.541 local terms energy: -610.962325 where: bonds (distance) C4'-P energy: -107.842 bonds (distance) P-C4' energy: -113.372 flat angles C4'-P-C4' energy: -132.088 flat angles P-C4'-P energy: -96.779 tors. eta vs tors. theta energy: -160.882 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: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1767.950779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.950779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.950779 (E_RNA) where: Base-Base interactions energy: -1181.022 where: short stacking energy: -525.463 Base-Backbone interact. energy: -2.197 local terms energy: -584.731940 where: bonds (distance) C4'-P energy: -113.211 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -123.913 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -150.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1552.558033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.558033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.558033 (E_RNA) where: Base-Base interactions energy: -1011.969 where: short stacking energy: -436.074 Base-Backbone interact. energy: 1.494 local terms energy: -542.082678 where: bonds (distance) C4'-P energy: -115.938 bonds (distance) P-C4' energy: -128.641 flat angles C4'-P-C4' energy: -119.944 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -96.420 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: 250 Temperature: 1.200000 Total energy: -1415.652316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.652316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.652316 (E_RNA) where: Base-Base interactions energy: -874.278 where: short stacking energy: -408.216 Base-Backbone interact. energy: -3.755 local terms energy: -537.619114 where: bonds (distance) C4'-P energy: -107.903 bonds (distance) P-C4' energy: -119.602 flat angles C4'-P-C4' energy: -124.416 flat angles P-C4'-P energy: -72.460 tors. eta vs tors. theta energy: -113.239 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: 250 Temperature: 1.250000 Total energy: -1067.676080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.676080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.676080 (E_RNA) where: Base-Base interactions energy: -651.495 where: short stacking energy: -322.648 Base-Backbone interact. energy: 0.434 local terms energy: -416.614948 where: bonds (distance) C4'-P energy: -97.803 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -65.389 tors. eta vs tors. theta energy: -49.504 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: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -761.182498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.182498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.182498 (E_RNA) where: Base-Base interactions energy: -365.302 where: short stacking energy: -188.146 Base-Backbone interact. energy: -1.268 local terms energy: -394.612348 where: bonds (distance) C4'-P energy: -103.560 bonds (distance) P-C4' energy: -110.495 flat angles C4'-P-C4' energy: -98.818 flat angles P-C4'-P energy: -61.790 tors. eta vs tors. theta energy: -19.950 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: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -499.522756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.522756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.522756 (E_RNA) where: Base-Base interactions energy: -180.481 where: short stacking energy: -154.202 Base-Backbone interact. energy: 5.652 local terms energy: -324.693742 where: bonds (distance) C4'-P energy: -101.327 bonds (distance) P-C4' energy: -98.619 flat angles C4'-P-C4' energy: -93.066 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: 18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2191.030861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.030861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.030861 (E_RNA) where: Base-Base interactions energy: -1502.078 where: short stacking energy: -632.596 Base-Backbone interact. energy: -2.762 local terms energy: -686.190690 where: bonds (distance) C4'-P energy: -121.404 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -139.417 flat angles P-C4'-P energy: -105.078 tors. eta vs tors. theta energy: -196.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2119.606683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.606683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.606683 (E_RNA) where: Base-Base interactions energy: -1462.550 where: short stacking energy: -584.551 Base-Backbone interact. energy: -2.474 local terms energy: -654.582091 where: bonds (distance) C4'-P energy: -113.517 bonds (distance) P-C4' energy: -124.210 flat angles C4'-P-C4' energy: -147.744 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -169.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2076.769194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.769194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.769194 (E_RNA) where: Base-Base interactions energy: -1414.666 where: short stacking energy: -635.937 Base-Backbone interact. energy: -1.618 local terms energy: -660.484803 where: bonds (distance) C4'-P energy: -120.228 bonds (distance) P-C4' energy: -114.675 flat angles C4'-P-C4' energy: -147.603 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -185.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1932.690884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.690884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.690884 (E_RNA) where: Base-Base interactions energy: -1339.173 where: short stacking energy: -522.572 Base-Backbone interact. energy: -2.041 local terms energy: -591.476872 where: bonds (distance) C4'-P energy: -124.967 bonds (distance) P-C4' energy: -109.901 flat angles C4'-P-C4' energy: -128.592 flat angles P-C4'-P energy: -85.925 tors. eta vs tors. theta energy: -142.092 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: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1730.253665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.253665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.253665 (E_RNA) where: Base-Base interactions energy: -1142.495 where: short stacking energy: -506.477 Base-Backbone interact. energy: 0.111 local terms energy: -587.869030 where: bonds (distance) C4'-P energy: -118.424 bonds (distance) P-C4' energy: -120.595 flat angles C4'-P-C4' energy: -132.572 flat angles P-C4'-P energy: -82.245 tors. eta vs tors. theta energy: -134.033 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: 251 Temperature: 1.150000 Total energy: -1573.154711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.154711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.154711 (E_RNA) where: Base-Base interactions energy: -1044.797 where: short stacking energy: -475.452 Base-Backbone interact. energy: 1.729 local terms energy: -530.086858 where: bonds (distance) C4'-P energy: -97.987 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -121.996 flat angles P-C4'-P energy: -77.311 tors. eta vs tors. theta energy: -121.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1431.470363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.470363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.470363 (E_RNA) where: Base-Base interactions energy: -903.436 where: short stacking energy: -416.500 Base-Backbone interact. energy: 2.980 local terms energy: -531.014262 where: bonds (distance) C4'-P energy: -103.881 bonds (distance) P-C4' energy: -121.526 flat angles C4'-P-C4' energy: -115.037 flat angles P-C4'-P energy: -65.480 tors. eta vs tors. theta energy: -125.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1129.400080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.400080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.400080 (E_RNA) where: Base-Base interactions energy: -692.078 where: short stacking energy: -324.222 Base-Backbone interact. energy: -0.918 local terms energy: -436.404537 where: bonds (distance) C4'-P energy: -95.023 bonds (distance) P-C4' energy: -113.416 flat angles C4'-P-C4' energy: -103.869 flat angles P-C4'-P energy: -62.579 tors. eta vs tors. theta energy: -61.518 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: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -797.428178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.428178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.428178 (E_RNA) where: Base-Base interactions energy: -411.014 where: short stacking energy: -216.575 Base-Backbone interact. energy: 2.639 local terms energy: -389.052943 where: bonds (distance) C4'-P energy: -115.419 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -95.689 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: 6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -515.878503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.878503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.878503 (E_RNA) where: Base-Base interactions energy: -209.495 where: short stacking energy: -168.526 Base-Backbone interact. energy: -0.331 local terms energy: -306.052161 where: bonds (distance) C4'-P energy: -108.730 bonds (distance) P-C4' energy: -84.697 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -41.673 tors. eta vs tors. theta energy: 14.810 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: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2187.533257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.533257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.533257 (E_RNA) where: Base-Base interactions energy: -1488.074 where: short stacking energy: -637.092 Base-Backbone interact. energy: -2.602 local terms energy: -696.857564 where: bonds (distance) C4'-P energy: -125.513 bonds (distance) P-C4' energy: -123.871 flat angles C4'-P-C4' energy: -146.518 flat angles P-C4'-P energy: -108.788 tors. eta vs tors. theta energy: -192.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2135.604766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.604766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.604766 (E_RNA) where: Base-Base interactions energy: -1480.380 where: short stacking energy: -601.338 Base-Backbone interact. energy: -10.230 local terms energy: -644.994973 where: bonds (distance) C4'-P energy: -106.002 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -149.434 flat angles P-C4'-P energy: -91.715 tors. eta vs tors. theta energy: -182.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2038.304155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.304155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.304155 (E_RNA) where: Base-Base interactions energy: -1374.756 where: short stacking energy: -587.179 Base-Backbone interact. energy: -2.889 local terms energy: -660.659160 where: bonds (distance) C4'-P energy: -126.894 bonds (distance) P-C4' energy: -123.243 flat angles C4'-P-C4' energy: -142.592 flat angles P-C4'-P energy: -90.667 tors. eta vs tors. theta energy: -177.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1898.904792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.904792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.904792 (E_RNA) where: Base-Base interactions energy: -1281.689 where: short stacking energy: -576.291 Base-Backbone interact. energy: -6.281 local terms energy: -610.934755 where: bonds (distance) C4'-P energy: -110.325 bonds (distance) P-C4' energy: -118.348 flat angles C4'-P-C4' energy: -129.606 flat angles P-C4'-P energy: -85.918 tors. eta vs tors. theta energy: -166.738 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: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1736.356873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.356873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.356873 (E_RNA) where: Base-Base interactions energy: -1164.975 where: short stacking energy: -513.890 Base-Backbone interact. energy: -1.971 local terms energy: -569.410711 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -118.741 flat angles C4'-P-C4' energy: -129.048 flat angles P-C4'-P energy: -75.041 tors. eta vs tors. theta energy: -136.521 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: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1549.419696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.419696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.419696 (E_RNA) where: Base-Base interactions energy: -1049.602 where: short stacking energy: -440.779 Base-Backbone interact. energy: 0.500 local terms energy: -500.317446 where: bonds (distance) C4'-P energy: -97.865 bonds (distance) P-C4' energy: -113.420 flat angles C4'-P-C4' energy: -114.538 flat angles P-C4'-P energy: -72.194 tors. eta vs tors. theta energy: -102.300 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: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1356.765028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.765028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.765028 (E_RNA) where: Base-Base interactions energy: -879.372 where: short stacking energy: -395.595 Base-Backbone interact. energy: 0.943 local terms energy: -478.336435 where: bonds (distance) C4'-P energy: -105.277 bonds (distance) P-C4' energy: -110.984 flat angles C4'-P-C4' energy: -98.573 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -83.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1117.673925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.673925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.673925 (E_RNA) where: Base-Base interactions energy: -699.651 where: short stacking energy: -330.342 Base-Backbone interact. energy: -1.229 local terms energy: -416.793776 where: bonds (distance) C4'-P energy: -98.227 bonds (distance) P-C4' energy: -99.919 flat angles C4'-P-C4' energy: -113.183 flat angles P-C4'-P energy: -59.055 tors. eta vs tors. theta energy: -46.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -776.123042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.123042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.123042 (E_RNA) where: Base-Base interactions energy: -386.751 where: short stacking energy: -212.741 Base-Backbone interact. energy: 0.226 local terms energy: -389.597644 where: bonds (distance) C4'-P energy: -106.494 bonds (distance) P-C4' energy: -111.749 flat angles C4'-P-C4' energy: -103.474 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -9.088 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: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -489.899233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.899233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.899233 (E_RNA) where: Base-Base interactions energy: -181.402 where: short stacking energy: -163.099 Base-Backbone interact. energy: 0.959 local terms energy: -309.455541 where: bonds (distance) C4'-P energy: -77.656 bonds (distance) P-C4' energy: -96.637 flat angles C4'-P-C4' energy: -98.939 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: 11.111 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: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2194.379785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.379785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.379785 (E_RNA) where: Base-Base interactions energy: -1514.164 where: short stacking energy: -659.049 Base-Backbone interact. energy: -3.585 local terms energy: -676.630927 where: bonds (distance) C4'-P energy: -140.747 bonds (distance) P-C4' energy: -114.648 flat angles C4'-P-C4' energy: -131.633 flat angles P-C4'-P energy: -102.359 tors. eta vs tors. theta energy: -187.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2118.863393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.863393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.863393 (E_RNA) where: Base-Base interactions energy: -1458.394 where: short stacking energy: -609.132 Base-Backbone interact. energy: -0.639 local terms energy: -659.830554 where: bonds (distance) C4'-P energy: -110.883 bonds (distance) P-C4' energy: -113.336 flat angles C4'-P-C4' energy: -139.418 flat angles P-C4'-P energy: -106.258 tors. eta vs tors. theta energy: -189.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2015.819553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.819553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.819553 (E_RNA) where: Base-Base interactions energy: -1388.851 where: short stacking energy: -577.980 Base-Backbone interact. energy: -1.532 local terms energy: -625.436194 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -125.726 flat angles C4'-P-C4' energy: -125.343 flat angles P-C4'-P energy: -89.753 tors. eta vs tors. theta energy: -170.369 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: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1847.398189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.398189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.398189 (E_RNA) where: Base-Base interactions energy: -1281.048 where: short stacking energy: -517.403 Base-Backbone interact. energy: 0.423 local terms energy: -566.773174 where: bonds (distance) C4'-P energy: -120.046 bonds (distance) P-C4' energy: -93.283 flat angles C4'-P-C4' energy: -126.873 flat angles P-C4'-P energy: -83.211 tors. eta vs tors. theta energy: -143.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1838.933832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.933832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.933832 (E_RNA) where: Base-Base interactions energy: -1251.021 where: short stacking energy: -555.385 Base-Backbone interact. energy: -1.233 local terms energy: -586.680389 where: bonds (distance) C4'-P energy: -120.115 bonds (distance) P-C4' energy: -119.085 flat angles C4'-P-C4' energy: -113.723 flat angles P-C4'-P energy: -69.567 tors. eta vs tors. theta energy: -164.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1558.180492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.180492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.180492 (E_RNA) where: Base-Base interactions energy: -1019.716 where: short stacking energy: -442.684 Base-Backbone interact. energy: -1.628 local terms energy: -536.836742 where: bonds (distance) C4'-P energy: -108.185 bonds (distance) P-C4' energy: -124.743 flat angles C4'-P-C4' energy: -129.782 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -99.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1404.818775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.818775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.818775 (E_RNA) where: Base-Base interactions energy: -898.638 where: short stacking energy: -418.728 Base-Backbone interact. energy: -0.170 local terms energy: -506.011320 where: bonds (distance) C4'-P energy: -112.432 bonds (distance) P-C4' energy: -104.881 flat angles C4'-P-C4' energy: -115.728 flat angles P-C4'-P energy: -79.288 tors. eta vs tors. theta energy: -93.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1138.355550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.355550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.355550 (E_RNA) where: Base-Base interactions energy: -716.948 where: short stacking energy: -337.124 Base-Backbone interact. energy: 0.810 local terms energy: -422.217697 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -111.786 flat angles C4'-P-C4' energy: -100.674 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: -54.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -819.126450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.126450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.126450 (E_RNA) where: Base-Base interactions energy: -431.890 where: short stacking energy: -218.441 Base-Backbone interact. energy: -4.525 local terms energy: -382.711600 where: bonds (distance) C4'-P energy: -120.321 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -62.305 flat angles P-C4'-P energy: -71.977 tors. eta vs tors. theta energy: -19.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -518.137599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.137599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.137599 (E_RNA) where: Base-Base interactions energy: -199.508 where: short stacking energy: -157.128 Base-Backbone interact. energy: -0.060 local terms energy: -318.569613 where: bonds (distance) C4'-P energy: -104.287 bonds (distance) P-C4' energy: -114.495 flat angles C4'-P-C4' energy: -88.293 flat angles P-C4'-P energy: -29.408 tors. eta vs tors. theta energy: 17.913 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: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2175.842783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.842783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.842783 (E_RNA) where: Base-Base interactions energy: -1496.856 where: short stacking energy: -667.676 Base-Backbone interact. energy: -4.354 local terms energy: -674.633458 where: bonds (distance) C4'-P energy: -133.834 bonds (distance) P-C4' energy: -98.245 flat angles C4'-P-C4' energy: -144.449 flat angles P-C4'-P energy: -103.455 tors. eta vs tors. theta energy: -194.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2120.194651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.194651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.194651 (E_RNA) where: Base-Base interactions energy: -1450.184 where: short stacking energy: -610.497 Base-Backbone interact. energy: -3.204 local terms energy: -666.806700 where: bonds (distance) C4'-P energy: -127.253 bonds (distance) P-C4' energy: -126.071 flat angles C4'-P-C4' energy: -139.375 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -182.177 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: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2015.660900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.660900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.660900 (E_RNA) where: Base-Base interactions energy: -1375.597 where: short stacking energy: -599.692 Base-Backbone interact. energy: -0.390 local terms energy: -639.674364 where: bonds (distance) C4'-P energy: -106.998 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -133.784 flat angles P-C4'-P energy: -81.867 tors. eta vs tors. theta energy: -190.054 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: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1875.425026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.425026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.425026 (E_RNA) where: Base-Base interactions energy: -1292.471 where: short stacking energy: -533.264 Base-Backbone interact. energy: -2.545 local terms energy: -580.409314 where: bonds (distance) C4'-P energy: -117.332 bonds (distance) P-C4' energy: -108.250 flat angles C4'-P-C4' energy: -132.373 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -140.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1821.693049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.693049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.693049 (E_RNA) where: Base-Base interactions energy: -1226.676 where: short stacking energy: -552.293 Base-Backbone interact. energy: -1.907 local terms energy: -593.110494 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -114.633 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -153.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1595.176264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.176264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.176264 (E_RNA) where: Base-Base interactions energy: -1040.159 where: short stacking energy: -413.272 Base-Backbone interact. energy: -4.352 local terms energy: -550.665812 where: bonds (distance) C4'-P energy: -110.811 bonds (distance) P-C4' energy: -130.608 flat angles C4'-P-C4' energy: -128.260 flat angles P-C4'-P energy: -83.236 tors. eta vs tors. theta energy: -97.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1381.446222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.446222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.446222 (E_RNA) where: Base-Base interactions energy: -880.882 where: short stacking energy: -389.207 Base-Backbone interact. energy: 2.423 local terms energy: -502.987911 where: bonds (distance) C4'-P energy: -95.834 bonds (distance) P-C4' energy: -124.334 flat angles C4'-P-C4' energy: -107.760 flat angles P-C4'-P energy: -76.946 tors. eta vs tors. theta energy: -98.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1090.150342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.150342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.150342 (E_RNA) where: Base-Base interactions energy: -684.270 where: short stacking energy: -308.375 Base-Backbone interact. energy: 8.257 local terms energy: -414.137340 where: bonds (distance) C4'-P energy: -94.117 bonds (distance) P-C4' energy: -102.083 flat angles C4'-P-C4' energy: -110.017 flat angles P-C4'-P energy: -66.530 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: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -846.751694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.751694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.751694 (E_RNA) where: Base-Base interactions energy: -437.684 where: short stacking energy: -230.356 Base-Backbone interact. energy: 2.023 local terms energy: -411.091167 where: bonds (distance) C4'-P energy: -114.922 bonds (distance) P-C4' energy: -112.809 flat angles C4'-P-C4' energy: -97.669 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -11.361 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: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -518.906954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.906954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.906954 (E_RNA) where: Base-Base interactions energy: -194.696 where: short stacking energy: -150.060 Base-Backbone interact. energy: -3.358 local terms energy: -320.852707 where: bonds (distance) C4'-P energy: -124.016 bonds (distance) P-C4' energy: -110.375 flat angles C4'-P-C4' energy: -75.836 flat angles P-C4'-P energy: -27.407 tors. eta vs tors. theta energy: 16.782 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: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2219.440542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.440542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.440542 (E_RNA) where: Base-Base interactions energy: -1506.159 where: short stacking energy: -659.856 Base-Backbone interact. energy: -1.230 local terms energy: -712.051227 where: bonds (distance) C4'-P energy: -137.362 bonds (distance) P-C4' energy: -125.355 flat angles C4'-P-C4' energy: -143.891 flat angles P-C4'-P energy: -98.196 tors. eta vs tors. theta energy: -207.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2099.288377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.288377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.288377 (E_RNA) where: Base-Base interactions energy: -1464.739 where: short stacking energy: -595.519 Base-Backbone interact. energy: -1.053 local terms energy: -633.495658 where: bonds (distance) C4'-P energy: -133.317 bonds (distance) P-C4' energy: -119.063 flat angles C4'-P-C4' energy: -131.691 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -168.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2026.880260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.880260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.880260 (E_RNA) where: Base-Base interactions energy: -1368.065 where: short stacking energy: -589.281 Base-Backbone interact. energy: -1.273 local terms energy: -657.541877 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -122.409 flat angles C4'-P-C4' energy: -142.421 flat angles P-C4'-P energy: -93.358 tors. eta vs tors. theta energy: -181.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1920.874030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.874030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.874030 (E_RNA) where: Base-Base interactions energy: -1290.916 where: short stacking energy: -558.949 Base-Backbone interact. energy: -2.128 local terms energy: -627.829147 where: bonds (distance) C4'-P energy: -108.483 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -143.764 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -163.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1740.968037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.968037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.968037 (E_RNA) where: Base-Base interactions energy: -1178.865 where: short stacking energy: -524.067 Base-Backbone interact. energy: -0.630 local terms energy: -561.473586 where: bonds (distance) C4'-P energy: -100.737 bonds (distance) P-C4' energy: -115.165 flat angles C4'-P-C4' energy: -123.411 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -142.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1634.009082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.009082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.009082 (E_RNA) where: Base-Base interactions energy: -1098.368 where: short stacking energy: -454.929 Base-Backbone interact. energy: 0.402 local terms energy: -536.042528 where: bonds (distance) C4'-P energy: -106.257 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -119.692 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -110.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1434.597112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.597112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.597112 (E_RNA) where: Base-Base interactions energy: -911.985 where: short stacking energy: -431.073 Base-Backbone interact. energy: 1.419 local terms energy: -524.031193 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -127.300 flat angles C4'-P-C4' energy: -117.301 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: -109.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1094.776529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.776529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.776529 (E_RNA) where: Base-Base interactions energy: -666.905 where: short stacking energy: -345.548 Base-Backbone interact. energy: 1.002 local terms energy: -428.873879 where: bonds (distance) C4'-P energy: -96.284 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -61.889 tors. eta vs tors. theta energy: -64.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -844.340400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.340400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.340400 (E_RNA) where: Base-Base interactions energy: -477.852 where: short stacking energy: -250.646 Base-Backbone interact. energy: 3.780 local terms energy: -370.268395 where: bonds (distance) C4'-P energy: -80.300 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -100.122 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -19.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -520.169753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.169753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.169753 (E_RNA) where: Base-Base interactions energy: -188.659 where: short stacking energy: -154.094 Base-Backbone interact. energy: 4.012 local terms energy: -335.522819 where: bonds (distance) C4'-P energy: -114.862 bonds (distance) P-C4' energy: -107.236 flat angles C4'-P-C4' energy: -80.220 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: 17.994 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: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2194.512215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.512215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.512215 (E_RNA) where: Base-Base interactions energy: -1476.467 where: short stacking energy: -652.584 Base-Backbone interact. energy: 0.529 local terms energy: -718.574086 where: bonds (distance) C4'-P energy: -129.294 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -142.385 flat angles P-C4'-P energy: -99.396 tors. eta vs tors. theta energy: -209.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2082.840921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.840921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.840921 (E_RNA) where: Base-Base interactions energy: -1442.814 where: short stacking energy: -612.584 Base-Backbone interact. energy: -5.343 local terms energy: -634.683524 where: bonds (distance) C4'-P energy: -109.650 bonds (distance) P-C4' energy: -126.001 flat angles C4'-P-C4' energy: -131.826 flat angles P-C4'-P energy: -94.811 tors. eta vs tors. theta energy: -172.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1989.662257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.662257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.662257 (E_RNA) where: Base-Base interactions energy: -1348.560 where: short stacking energy: -609.688 Base-Backbone interact. energy: -0.877 local terms energy: -640.225119 where: bonds (distance) C4'-P energy: -113.535 bonds (distance) P-C4' energy: -126.315 flat angles C4'-P-C4' energy: -130.311 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -192.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1916.990304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.990304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.990304 (E_RNA) where: Base-Base interactions energy: -1336.711 where: short stacking energy: -556.950 Base-Backbone interact. energy: 2.159 local terms energy: -582.438020 where: bonds (distance) C4'-P energy: -101.891 bonds (distance) P-C4' energy: -123.628 flat angles C4'-P-C4' energy: -133.299 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: -141.320 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: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1757.641788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.641788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.641788 (E_RNA) where: Base-Base interactions energy: -1195.491 where: short stacking energy: -507.745 Base-Backbone interact. energy: 0.672 local terms energy: -562.823088 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -116.173 flat angles C4'-P-C4' energy: -111.212 flat angles P-C4'-P energy: -84.541 tors. eta vs tors. theta energy: -136.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1698.670958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.670958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.670958 (E_RNA) where: Base-Base interactions energy: -1169.588 where: short stacking energy: -493.278 Base-Backbone interact. energy: -2.150 local terms energy: -526.932638 where: bonds (distance) C4'-P energy: -108.732 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -72.328 tors. eta vs tors. theta energy: -116.995 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: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1447.319611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.319611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.319611 (E_RNA) where: Base-Base interactions energy: -953.636 where: short stacking energy: -430.221 Base-Backbone interact. energy: 1.109 local terms energy: -494.792837 where: bonds (distance) C4'-P energy: -102.654 bonds (distance) P-C4' energy: -101.247 flat angles C4'-P-C4' energy: -125.486 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -100.678 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: 256 Temperature: 1.250000 Total energy: -1083.425543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.425543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.425543 (E_RNA) where: Base-Base interactions energy: -669.281 where: short stacking energy: -309.842 Base-Backbone interact. energy: -2.149 local terms energy: -411.995617 where: bonds (distance) C4'-P energy: -86.186 bonds (distance) P-C4' energy: -109.088 flat angles C4'-P-C4' energy: -107.003 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -50.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -847.122788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.122788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.122788 (E_RNA) where: Base-Base interactions energy: -480.867 where: short stacking energy: -241.125 Base-Backbone interact. energy: -4.549 local terms energy: -361.706974 where: bonds (distance) C4'-P energy: -107.359 bonds (distance) P-C4' energy: -91.809 flat angles C4'-P-C4' energy: -77.675 flat angles P-C4'-P energy: -65.045 tors. eta vs tors. theta energy: -19.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -549.592570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.592570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.592570 (E_RNA) where: Base-Base interactions energy: -203.031 where: short stacking energy: -136.520 Base-Backbone interact. energy: 4.282 local terms energy: -350.843438 where: bonds (distance) C4'-P energy: -104.398 bonds (distance) P-C4' energy: -115.562 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: 15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2200.704030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.704030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.704030 (E_RNA) where: Base-Base interactions energy: -1515.182 where: short stacking energy: -664.835 Base-Backbone interact. energy: -0.588 local terms energy: -684.934223 where: bonds (distance) C4'-P energy: -125.388 bonds (distance) P-C4' energy: -115.206 flat angles C4'-P-C4' energy: -146.117 flat angles P-C4'-P energy: -98.105 tors. eta vs tors. theta energy: -200.118 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: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2030.479557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.479557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.479557 (E_RNA) where: Base-Base interactions energy: -1389.903 where: short stacking energy: -599.411 Base-Backbone interact. energy: 0.567 local terms energy: -641.143428 where: bonds (distance) C4'-P energy: -117.877 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -134.623 flat angles P-C4'-P energy: -94.599 tors. eta vs tors. theta energy: -176.115 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: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2069.361983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.361983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.361983 (E_RNA) where: Base-Base interactions energy: -1452.687 where: short stacking energy: -589.770 Base-Backbone interact. energy: -5.788 local terms energy: -610.886857 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -109.110 flat angles C4'-P-C4' energy: -127.345 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -171.446 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: 257 Temperature: 1.050000 Total energy: -1920.283335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.283335 (E_RNA) where: Base-Base interactions energy: -1305.030 where: short stacking energy: -555.911 Base-Backbone interact. energy: -2.778 local terms energy: -612.474900 where: bonds (distance) C4'-P energy: -117.381 bonds (distance) P-C4' energy: -114.278 flat angles C4'-P-C4' energy: -136.815 flat angles P-C4'-P energy: -89.513 tors. eta vs tors. theta energy: -154.489 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: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1763.024700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.024700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.024700 (E_RNA) where: Base-Base interactions energy: -1176.444 where: short stacking energy: -502.485 Base-Backbone interact. energy: -0.847 local terms energy: -585.733219 where: bonds (distance) C4'-P energy: -122.455 bonds (distance) P-C4' energy: -131.326 flat angles C4'-P-C4' energy: -132.959 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -133.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1655.912361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.912361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.912361 (E_RNA) where: Base-Base interactions energy: -1143.206 where: short stacking energy: -477.670 Base-Backbone interact. energy: -0.672 local terms energy: -512.034296 where: bonds (distance) C4'-P energy: -110.853 bonds (distance) P-C4' energy: -111.017 flat angles C4'-P-C4' energy: -115.689 flat angles P-C4'-P energy: -56.479 tors. eta vs tors. theta energy: -117.997 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: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1445.954172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.954172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.954172 (E_RNA) where: Base-Base interactions energy: -953.127 where: short stacking energy: -418.713 Base-Backbone interact. energy: -2.153 local terms energy: -490.673288 where: bonds (distance) C4'-P energy: -91.727 bonds (distance) P-C4' energy: -112.320 flat angles C4'-P-C4' energy: -114.087 flat angles P-C4'-P energy: -67.846 tors. eta vs tors. theta energy: -104.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1069.135974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.135974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.135974 (E_RNA) where: Base-Base interactions energy: -666.000 where: short stacking energy: -299.244 Base-Backbone interact. energy: -0.613 local terms energy: -402.523129 where: bonds (distance) C4'-P energy: -85.374 bonds (distance) P-C4' energy: -117.070 flat angles C4'-P-C4' energy: -114.049 flat angles P-C4'-P energy: -55.448 tors. eta vs tors. theta energy: -30.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -914.001081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.001081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.001081 (E_RNA) where: Base-Base interactions energy: -537.600 where: short stacking energy: -256.097 Base-Backbone interact. energy: -2.169 local terms energy: -374.232063 where: bonds (distance) C4'-P energy: -97.486 bonds (distance) P-C4' energy: -108.288 flat angles C4'-P-C4' energy: -100.544 flat angles P-C4'-P energy: -52.564 tors. eta vs tors. theta energy: -15.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -507.038175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.038175 (E_RNA) where: Base-Base interactions energy: -189.254 where: short stacking energy: -149.419 Base-Backbone interact. energy: 0.447 local terms energy: -318.231402 where: bonds (distance) C4'-P energy: -98.451 bonds (distance) P-C4' energy: -93.709 flat angles C4'-P-C4' energy: -80.890 flat angles P-C4'-P energy: -59.010 tors. eta vs tors. theta energy: 13.830 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: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2195.317740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.317740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.317740 (E_RNA) where: Base-Base interactions energy: -1502.310 where: short stacking energy: -657.141 Base-Backbone interact. energy: -5.043 local terms energy: -687.964803 where: bonds (distance) C4'-P energy: -125.862 bonds (distance) P-C4' energy: -126.555 flat angles C4'-P-C4' energy: -142.442 flat angles P-C4'-P energy: -89.660 tors. eta vs tors. theta energy: -203.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2056.401318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.401318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.401318 (E_RNA) where: Base-Base interactions energy: -1400.654 where: short stacking energy: -616.623 Base-Backbone interact. energy: -4.259 local terms energy: -651.488044 where: bonds (distance) C4'-P energy: -106.920 bonds (distance) P-C4' energy: -115.895 flat angles C4'-P-C4' energy: -152.338 flat angles P-C4'-P energy: -97.617 tors. eta vs tors. theta energy: -178.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2060.774936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.774936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.774936 (E_RNA) where: Base-Base interactions energy: -1447.588 where: short stacking energy: -555.553 Base-Backbone interact. energy: -5.411 local terms energy: -607.775467 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -106.765 flat angles C4'-P-C4' energy: -132.930 flat angles P-C4'-P energy: -84.017 tors. eta vs tors. theta energy: -151.183 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: 258 Temperature: 1.050000 Total energy: -1955.613159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.613159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.613159 (E_RNA) where: Base-Base interactions energy: -1358.608 where: short stacking energy: -587.618 Base-Backbone interact. energy: -1.411 local terms energy: -595.593762 where: bonds (distance) C4'-P energy: -105.155 bonds (distance) P-C4' energy: -120.146 flat angles C4'-P-C4' energy: -138.272 flat angles P-C4'-P energy: -73.490 tors. eta vs tors. theta energy: -158.530 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: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1723.905628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.905628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.905628 (E_RNA) where: Base-Base interactions energy: -1142.337 where: short stacking energy: -492.027 Base-Backbone interact. energy: -0.227 local terms energy: -581.341703 where: bonds (distance) C4'-P energy: -115.860 bonds (distance) P-C4' energy: -109.650 flat angles C4'-P-C4' energy: -127.080 flat angles P-C4'-P energy: -82.073 tors. eta vs tors. theta energy: -146.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1615.071077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.071077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.071077 (E_RNA) where: Base-Base interactions energy: -1100.559 where: short stacking energy: -453.895 Base-Backbone interact. energy: 2.618 local terms energy: -517.130555 where: bonds (distance) C4'-P energy: -97.682 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -72.496 tors. eta vs tors. theta energy: -109.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1511.515146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.515146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.515146 (E_RNA) where: Base-Base interactions energy: -989.124 where: short stacking energy: -442.135 Base-Backbone interact. energy: 5.265 local terms energy: -527.655566 where: bonds (distance) C4'-P energy: -113.838 bonds (distance) P-C4' energy: -120.587 flat angles C4'-P-C4' energy: -101.078 flat angles P-C4'-P energy: -71.779 tors. eta vs tors. theta energy: -120.373 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: 258 Temperature: 1.250000 Total energy: -1170.393167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.393167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.393167 (E_RNA) where: Base-Base interactions energy: -742.617 where: short stacking energy: -335.415 Base-Backbone interact. energy: 4.666 local terms energy: -432.443030 where: bonds (distance) C4'-P energy: -95.089 bonds (distance) P-C4' energy: -98.280 flat angles C4'-P-C4' energy: -112.732 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -52.592 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: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -979.067365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.067365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.067365 (E_RNA) where: Base-Base interactions energy: -587.786 where: short stacking energy: -265.833 Base-Backbone interact. energy: 3.766 local terms energy: -395.047256 where: bonds (distance) C4'-P energy: -110.769 bonds (distance) P-C4' energy: -97.952 flat angles C4'-P-C4' energy: -97.738 flat angles P-C4'-P energy: -65.592 tors. eta vs tors. theta energy: -22.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -510.100436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.100436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.100436 (E_RNA) where: Base-Base interactions energy: -167.266 where: short stacking energy: -133.798 Base-Backbone interact. energy: -0.985 local terms energy: -341.849958 where: bonds (distance) C4'-P energy: -102.798 bonds (distance) P-C4' energy: -113.101 flat angles C4'-P-C4' energy: -97.262 flat angles P-C4'-P energy: -53.253 tors. eta vs tors. theta energy: 24.564 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: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2199.023662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.023662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.023662 (E_RNA) where: Base-Base interactions energy: -1504.476 where: short stacking energy: -637.659 Base-Backbone interact. energy: -1.616 local terms energy: -692.931599 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -120.440 flat angles C4'-P-C4' energy: -144.602 flat angles P-C4'-P energy: -94.121 tors. eta vs tors. theta energy: -203.139 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: 259 Temperature: 0.950000 Total energy: -2066.885553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.885553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.885553 (E_RNA) where: Base-Base interactions energy: -1444.064 where: short stacking energy: -575.583 Base-Backbone interact. energy: -3.866 local terms energy: -618.955175 where: bonds (distance) C4'-P energy: -116.824 bonds (distance) P-C4' energy: -111.031 flat angles C4'-P-C4' energy: -128.890 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -160.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2026.690941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.690941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.690941 (E_RNA) where: Base-Base interactions energy: -1364.769 where: short stacking energy: -620.815 Base-Backbone interact. energy: 1.357 local terms energy: -663.278626 where: bonds (distance) C4'-P energy: -127.930 bonds (distance) P-C4' energy: -127.706 flat angles C4'-P-C4' energy: -143.073 flat angles P-C4'-P energy: -81.573 tors. eta vs tors. theta energy: -182.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1908.546168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.546168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.546168 (E_RNA) where: Base-Base interactions energy: -1327.004 where: short stacking energy: -546.246 Base-Backbone interact. energy: 1.125 local terms energy: -582.667107 where: bonds (distance) C4'-P energy: -117.445 bonds (distance) P-C4' energy: -108.042 flat angles C4'-P-C4' energy: -131.427 flat angles P-C4'-P energy: -79.117 tors. eta vs tors. theta energy: -146.636 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: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1722.665255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.665255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.665255 (E_RNA) where: Base-Base interactions energy: -1151.461 where: short stacking energy: -501.004 Base-Backbone interact. energy: -2.958 local terms energy: -568.245893 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -118.700 flat angles C4'-P-C4' energy: -114.534 flat angles P-C4'-P energy: -89.185 tors. eta vs tors. theta energy: -138.473 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: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1551.967485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.967485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.967485 (E_RNA) where: Base-Base interactions energy: -1038.115 where: short stacking energy: -490.528 Base-Backbone interact. energy: 2.107 local terms energy: -515.959131 where: bonds (distance) C4'-P energy: -98.044 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: -125.044 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: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1466.332240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.332240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.332240 (E_RNA) where: Base-Base interactions energy: -959.402 where: short stacking energy: -396.373 Base-Backbone interact. energy: 0.023 local terms energy: -506.952816 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -110.271 flat angles C4'-P-C4' energy: -119.025 flat angles P-C4'-P energy: -81.933 tors. eta vs tors. theta energy: -86.843 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: 259 Temperature: 1.250000 Total energy: -1109.636421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.636421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.636421 (E_RNA) where: Base-Base interactions energy: -706.327 where: short stacking energy: -321.639 Base-Backbone interact. energy: -0.447 local terms energy: -402.862706 where: bonds (distance) C4'-P energy: -101.883 bonds (distance) P-C4' energy: -88.214 flat angles C4'-P-C4' energy: -104.749 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -43.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -926.415286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.415286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.415286 (E_RNA) where: Base-Base interactions energy: -555.484 where: short stacking energy: -258.310 Base-Backbone interact. energy: 2.074 local terms energy: -373.005742 where: bonds (distance) C4'-P energy: -98.793 bonds (distance) P-C4' energy: -112.877 flat angles C4'-P-C4' energy: -90.197 flat angles P-C4'-P energy: -45.573 tors. eta vs tors. theta energy: -25.565 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: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -498.349125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.349125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.349125 (E_RNA) where: Base-Base interactions energy: -177.687 where: short stacking energy: -127.383 Base-Backbone interact. energy: 5.226 local terms energy: -325.888531 where: bonds (distance) C4'-P energy: -98.469 bonds (distance) P-C4' energy: -108.360 flat angles C4'-P-C4' energy: -91.130 flat angles P-C4'-P energy: -60.062 tors. eta vs tors. theta energy: 32.133 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: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2174.261467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.261467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.261467 (E_RNA) where: Base-Base interactions energy: -1495.006 where: short stacking energy: -667.419 Base-Backbone interact. energy: -2.862 local terms energy: -676.394305 where: bonds (distance) C4'-P energy: -122.753 bonds (distance) P-C4' energy: -118.591 flat angles C4'-P-C4' energy: -150.745 flat angles P-C4'-P energy: -82.780 tors. eta vs tors. theta energy: -201.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2093.955585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.955585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.955585 (E_RNA) where: Base-Base interactions energy: -1464.896 where: short stacking energy: -587.936 Base-Backbone interact. energy: -3.297 local terms energy: -625.763187 where: bonds (distance) C4'-P energy: -130.148 bonds (distance) P-C4' energy: -120.921 flat angles C4'-P-C4' energy: -137.234 flat angles P-C4'-P energy: -75.418 tors. eta vs tors. theta energy: -162.042 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: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2029.750661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.750661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.750661 (E_RNA) where: Base-Base interactions energy: -1360.115 where: short stacking energy: -581.267 Base-Backbone interact. energy: -2.339 local terms energy: -667.296470 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -122.579 flat angles C4'-P-C4' energy: -141.191 flat angles P-C4'-P energy: -101.931 tors. eta vs tors. theta energy: -177.475 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: 4, replica: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1886.653492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.653492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.653492 (E_RNA) where: Base-Base interactions energy: -1298.675 where: short stacking energy: -558.101 Base-Backbone interact. energy: -2.239 local terms energy: -585.739257 where: bonds (distance) C4'-P energy: -111.410 bonds (distance) P-C4' energy: -96.389 flat angles C4'-P-C4' energy: -137.109 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -155.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1710.432203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.432203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.432203 (E_RNA) where: Base-Base interactions energy: -1144.327 where: short stacking energy: -499.640 Base-Backbone interact. energy: -2.891 local terms energy: -563.213956 where: bonds (distance) C4'-P energy: -110.375 bonds (distance) P-C4' energy: -101.335 flat angles C4'-P-C4' energy: -127.920 flat angles P-C4'-P energy: -76.070 tors. eta vs tors. theta energy: -147.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1582.182947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.182947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.182947 (E_RNA) where: Base-Base interactions energy: -1012.035 where: short stacking energy: -464.848 Base-Backbone interact. energy: -0.149 local terms energy: -569.999634 where: bonds (distance) C4'-P energy: -115.353 bonds (distance) P-C4' energy: -115.663 flat angles C4'-P-C4' energy: -123.002 flat angles P-C4'-P energy: -79.050 tors. eta vs tors. theta energy: -136.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1445.389474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.389474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.389474 (E_RNA) where: Base-Base interactions energy: -946.016 where: short stacking energy: -417.088 Base-Backbone interact. energy: 1.522 local terms energy: -500.894634 where: bonds (distance) C4'-P energy: -106.862 bonds (distance) P-C4' energy: -104.367 flat angles C4'-P-C4' energy: -130.909 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -82.995 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: 260 Temperature: 1.250000 Total energy: -1124.693294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.693294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.693294 (E_RNA) where: Base-Base interactions energy: -683.731 where: short stacking energy: -344.104 Base-Backbone interact. energy: -1.012 local terms energy: -439.950605 where: bonds (distance) C4'-P energy: -83.188 bonds (distance) P-C4' energy: -102.488 flat angles C4'-P-C4' energy: -99.797 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -79.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -867.697391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.697391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.697391 (E_RNA) where: Base-Base interactions energy: -490.379 where: short stacking energy: -234.057 Base-Backbone interact. energy: 1.838 local terms energy: -379.155851 where: bonds (distance) C4'-P energy: -104.067 bonds (distance) P-C4' energy: -120.891 flat angles C4'-P-C4' energy: -97.909 flat angles P-C4'-P energy: -54.493 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -466.870905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.870905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.870905 (E_RNA) where: Base-Base interactions energy: -182.465 where: short stacking energy: -152.803 Base-Backbone interact. energy: 0.634 local terms energy: -285.039434 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -83.131 flat angles C4'-P-C4' energy: -82.654 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: 9.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2144.149997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.149997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.149997 (E_RNA) where: Base-Base interactions energy: -1474.527 where: short stacking energy: -646.469 Base-Backbone interact. energy: -3.917 local terms energy: -665.706204 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -141.037 flat angles P-C4'-P energy: -92.665 tors. eta vs tors. theta energy: -190.708 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: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2114.639126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.639126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.639126 (E_RNA) where: Base-Base interactions energy: -1470.699 where: short stacking energy: -613.678 Base-Backbone interact. energy: -3.021 local terms energy: -640.918326 where: bonds (distance) C4'-P energy: -115.396 bonds (distance) P-C4' energy: -126.759 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -104.298 tors. eta vs tors. theta energy: -169.564 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: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2022.041572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.041572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.041572 (E_RNA) where: Base-Base interactions energy: -1374.772 where: short stacking energy: -606.230 Base-Backbone interact. energy: 1.301 local terms energy: -648.570668 where: bonds (distance) C4'-P energy: -117.767 bonds (distance) P-C4' energy: -109.971 flat angles C4'-P-C4' energy: -147.119 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -180.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1876.719623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.719623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.719623 (E_RNA) where: Base-Base interactions energy: -1294.746 where: short stacking energy: -563.838 Base-Backbone interact. energy: -3.016 local terms energy: -578.957771 where: bonds (distance) C4'-P energy: -120.524 bonds (distance) P-C4' energy: -101.950 flat angles C4'-P-C4' energy: -132.230 flat angles P-C4'-P energy: -80.568 tors. eta vs tors. theta energy: -143.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1744.000299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.000299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.000299 (E_RNA) where: Base-Base interactions energy: -1144.538 where: short stacking energy: -516.518 Base-Backbone interact. energy: -2.261 local terms energy: -597.201608 where: bonds (distance) C4'-P energy: -93.398 bonds (distance) P-C4' energy: -122.459 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -155.686 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: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1576.076744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.076744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.076744 (E_RNA) where: Base-Base interactions energy: -1024.686 where: short stacking energy: -454.295 Base-Backbone interact. energy: 2.008 local terms energy: -553.398782 where: bonds (distance) C4'-P energy: -105.067 bonds (distance) P-C4' energy: -124.152 flat angles C4'-P-C4' energy: -121.918 flat angles P-C4'-P energy: -79.573 tors. eta vs tors. theta energy: -122.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1458.156250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.156250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.156250 (E_RNA) where: Base-Base interactions energy: -966.478 where: short stacking energy: -411.287 Base-Backbone interact. energy: -3.519 local terms energy: -488.159511 where: bonds (distance) C4'-P energy: -101.175 bonds (distance) P-C4' energy: -108.559 flat angles C4'-P-C4' energy: -126.532 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -85.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1096.014201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.014201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.014201 (E_RNA) where: Base-Base interactions energy: -667.587 where: short stacking energy: -312.785 Base-Backbone interact. energy: -3.687 local terms energy: -424.740413 where: bonds (distance) C4'-P energy: -86.439 bonds (distance) P-C4' energy: -119.735 flat angles C4'-P-C4' energy: -91.297 flat angles P-C4'-P energy: -71.042 tors. eta vs tors. theta energy: -56.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -925.884115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.884115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.884115 (E_RNA) where: Base-Base interactions energy: -539.184 where: short stacking energy: -283.005 Base-Backbone interact. energy: -1.268 local terms energy: -385.432734 where: bonds (distance) C4'-P energy: -82.916 bonds (distance) P-C4' energy: -101.827 flat angles C4'-P-C4' energy: -105.572 flat angles P-C4'-P energy: -62.071 tors. eta vs tors. theta energy: -33.047 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: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -504.009733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.009733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.009733 (E_RNA) where: Base-Base interactions energy: -167.015 where: short stacking energy: -131.149 Base-Backbone interact. energy: 4.708 local terms energy: -341.703192 where: bonds (distance) C4'-P energy: -96.489 bonds (distance) P-C4' energy: -102.053 flat angles C4'-P-C4' energy: -84.408 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: 12.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2157.360670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.360670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.360670 (E_RNA) where: Base-Base interactions energy: -1494.611 where: short stacking energy: -660.669 Base-Backbone interact. energy: -3.130 local terms energy: -659.618919 where: bonds (distance) C4'-P energy: -113.668 bonds (distance) P-C4' energy: -124.391 flat angles C4'-P-C4' energy: -139.347 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -190.572 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: 262 Temperature: 0.950000 Total energy: -2105.186217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.186217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.186217 (E_RNA) where: Base-Base interactions energy: -1436.522 where: short stacking energy: -609.777 Base-Backbone interact. energy: -4.138 local terms energy: -664.526503 where: bonds (distance) C4'-P energy: -124.855 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -146.248 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -184.740 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: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2020.086443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.086443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.086443 (E_RNA) where: Base-Base interactions energy: -1383.622 where: short stacking energy: -584.112 Base-Backbone interact. energy: -2.926 local terms energy: -633.538016 where: bonds (distance) C4'-P energy: -114.033 bonds (distance) P-C4' energy: -120.449 flat angles C4'-P-C4' energy: -143.987 flat angles P-C4'-P energy: -95.347 tors. eta vs tors. theta energy: -159.723 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: 262 Temperature: 1.050000 Total energy: -1889.794131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.794131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.794131 (E_RNA) where: Base-Base interactions energy: -1300.249 where: short stacking energy: -522.612 Base-Backbone interact. energy: -2.574 local terms energy: -586.971118 where: bonds (distance) C4'-P energy: -114.988 bonds (distance) P-C4' energy: -110.750 flat angles C4'-P-C4' energy: -136.718 flat angles P-C4'-P energy: -80.137 tors. eta vs tors. theta energy: -144.377 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: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1740.479198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.479198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.479198 (E_RNA) where: Base-Base interactions energy: -1171.362 where: short stacking energy: -526.889 Base-Backbone interact. energy: -4.513 local terms energy: -564.604674 where: bonds (distance) C4'-P energy: -111.314 bonds (distance) P-C4' energy: -103.319 flat angles C4'-P-C4' energy: -123.593 flat angles P-C4'-P energy: -89.338 tors. eta vs tors. theta energy: -137.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1515.420023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.420023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.420023 (E_RNA) where: Base-Base interactions energy: -980.431 where: short stacking energy: -461.103 Base-Backbone interact. energy: -1.672 local terms energy: -533.317102 where: bonds (distance) C4'-P energy: -117.869 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -117.768 flat angles P-C4'-P energy: -80.473 tors. eta vs tors. theta energy: -118.374 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: 262 Temperature: 1.200000 Total energy: -1500.342911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.342911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.342911 (E_RNA) where: Base-Base interactions energy: -1009.367 where: short stacking energy: -434.079 Base-Backbone interact. energy: -2.008 local terms energy: -488.967563 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -98.666 flat angles C4'-P-C4' energy: -123.147 flat angles P-C4'-P energy: -63.978 tors. eta vs tors. theta energy: -113.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1124.003050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.003050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.003050 (E_RNA) where: Base-Base interactions energy: -699.428 where: short stacking energy: -344.560 Base-Backbone interact. energy: 1.837 local terms energy: -426.412122 where: bonds (distance) C4'-P energy: -106.700 bonds (distance) P-C4' energy: -100.911 flat angles C4'-P-C4' energy: -100.150 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -54.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -883.085502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.085502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.085502 (E_RNA) where: Base-Base interactions energy: -518.181 where: short stacking energy: -287.560 Base-Backbone interact. energy: 0.317 local terms energy: -365.221448 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -100.219 flat angles C4'-P-C4' energy: -105.671 flat angles P-C4'-P energy: -59.237 tors. eta vs tors. theta energy: -20.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -505.715121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.715121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.715121 (E_RNA) where: Base-Base interactions energy: -200.202 where: short stacking energy: -164.490 Base-Backbone interact. energy: -2.980 local terms energy: -302.533900 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -111.419 flat angles C4'-P-C4' energy: -95.904 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: 17.520 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: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2158.707714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.707714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.707714 (E_RNA) where: Base-Base interactions energy: -1459.251 where: short stacking energy: -634.374 Base-Backbone interact. energy: -2.811 local terms energy: -696.644948 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -113.347 flat angles C4'-P-C4' energy: -145.388 flat angles P-C4'-P energy: -107.283 tors. eta vs tors. theta energy: -200.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2103.804520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.804520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.804520 (E_RNA) where: Base-Base interactions energy: -1456.804 where: short stacking energy: -601.043 Base-Backbone interact. energy: -8.008 local terms energy: -638.992774 where: bonds (distance) C4'-P energy: -113.666 bonds (distance) P-C4' energy: -113.922 flat angles C4'-P-C4' energy: -138.834 flat angles P-C4'-P energy: -97.263 tors. eta vs tors. theta energy: -175.308 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: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2016.851132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.851132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.851132 (E_RNA) where: Base-Base interactions energy: -1382.483 where: short stacking energy: -587.589 Base-Backbone interact. energy: -2.112 local terms energy: -632.255892 where: bonds (distance) C4'-P energy: -114.765 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -129.088 flat angles P-C4'-P energy: -90.101 tors. eta vs tors. theta energy: -174.943 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: 263 Temperature: 1.050000 Total energy: -1911.995622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.995622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.995622 (E_RNA) where: Base-Base interactions energy: -1320.847 where: short stacking energy: -565.020 Base-Backbone interact. energy: -3.088 local terms energy: -588.060683 where: bonds (distance) C4'-P energy: -115.370 bonds (distance) P-C4' energy: -111.447 flat angles C4'-P-C4' energy: -130.677 flat angles P-C4'-P energy: -74.149 tors. eta vs tors. theta energy: -156.417 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: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1736.269591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.269591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.269591 (E_RNA) where: Base-Base interactions energy: -1145.859 where: short stacking energy: -516.797 Base-Backbone interact. energy: -3.899 local terms energy: -586.511488 where: bonds (distance) C4'-P energy: -121.837 bonds (distance) P-C4' energy: -112.110 flat angles C4'-P-C4' energy: -121.966 flat angles P-C4'-P energy: -85.398 tors. eta vs tors. theta energy: -145.200 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: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1542.626860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.626860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.626860 (E_RNA) where: Base-Base interactions energy: -1021.948 where: short stacking energy: -432.436 Base-Backbone interact. energy: 2.228 local terms energy: -522.906508 where: bonds (distance) C4'-P energy: -109.185 bonds (distance) P-C4' energy: -112.584 flat angles C4'-P-C4' energy: -124.375 flat angles P-C4'-P energy: -59.483 tors. eta vs tors. theta energy: -117.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1409.799168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.799168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.799168 (E_RNA) where: Base-Base interactions energy: -923.402 where: short stacking energy: -435.039 Base-Backbone interact. energy: -0.940 local terms energy: -485.457552 where: bonds (distance) C4'-P energy: -101.246 bonds (distance) P-C4' energy: -93.294 flat angles C4'-P-C4' energy: -122.886 flat angles P-C4'-P energy: -73.150 tors. eta vs tors. theta energy: -94.882 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: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1142.795302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.795302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.795302 (E_RNA) where: Base-Base interactions energy: -719.707 where: short stacking energy: -369.779 Base-Backbone interact. energy: 4.431 local terms energy: -427.519261 where: bonds (distance) C4'-P energy: -106.884 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -114.622 flat angles P-C4'-P energy: -54.712 tors. eta vs tors. theta energy: -64.114 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: 6 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -712.997033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.997033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.997033 (E_RNA) where: Base-Base interactions energy: -373.262 where: short stacking energy: -206.137 Base-Backbone interact. energy: -0.698 local terms energy: -339.036848 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -97.567 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -46.123 tors. eta vs tors. theta energy: -9.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -508.806215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.806215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.806215 (E_RNA) where: Base-Base interactions energy: -178.481 where: short stacking energy: -144.739 Base-Backbone interact. energy: 1.902 local terms energy: -332.227490 where: bonds (distance) C4'-P energy: -90.659 bonds (distance) P-C4' energy: -118.064 flat angles C4'-P-C4' energy: -95.819 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: 18.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2156.871171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.871171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.871171 (E_RNA) where: Base-Base interactions energy: -1462.550 where: short stacking energy: -647.932 Base-Backbone interact. energy: 1.542 local terms energy: -695.862865 where: bonds (distance) C4'-P energy: -117.246 bonds (distance) P-C4' energy: -130.978 flat angles C4'-P-C4' energy: -146.320 flat angles P-C4'-P energy: -91.315 tors. eta vs tors. theta energy: -210.005 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: 264 Temperature: 0.950000 Total energy: -2112.572817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.572817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.572817 (E_RNA) where: Base-Base interactions energy: -1450.763 where: short stacking energy: -578.375 Base-Backbone interact. energy: -6.127 local terms energy: -655.683610 where: bonds (distance) C4'-P energy: -126.004 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -134.655 flat angles P-C4'-P energy: -94.382 tors. eta vs tors. theta energy: -178.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2016.967165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.967165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.967165 (E_RNA) where: Base-Base interactions energy: -1400.889 where: short stacking energy: -598.529 Base-Backbone interact. energy: 1.070 local terms energy: -617.148114 where: bonds (distance) C4'-P energy: -112.110 bonds (distance) P-C4' energy: -102.661 flat angles C4'-P-C4' energy: -136.219 flat angles P-C4'-P energy: -90.993 tors. eta vs tors. theta energy: -175.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1940.541300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.541300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.541300 (E_RNA) where: Base-Base interactions energy: -1350.027 where: short stacking energy: -571.614 Base-Backbone interact. energy: -0.407 local terms energy: -590.107627 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -101.944 flat angles C4'-P-C4' energy: -121.472 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -173.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1705.672050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.672050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.672050 (E_RNA) where: Base-Base interactions energy: -1101.160 where: short stacking energy: -525.167 Base-Backbone interact. energy: -2.451 local terms energy: -602.061473 where: bonds (distance) C4'-P energy: -115.111 bonds (distance) P-C4' energy: -119.192 flat angles C4'-P-C4' energy: -127.179 flat angles P-C4'-P energy: -86.627 tors. eta vs tors. theta energy: -153.952 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: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1599.572812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.572812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.572812 (E_RNA) where: Base-Base interactions energy: -1086.563 where: short stacking energy: -481.500 Base-Backbone interact. energy: 4.772 local terms energy: -517.781492 where: bonds (distance) C4'-P energy: -114.601 bonds (distance) P-C4' energy: -108.433 flat angles C4'-P-C4' energy: -106.538 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: -126.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1444.252682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.252682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.252682 (E_RNA) where: Base-Base interactions energy: -941.294 where: short stacking energy: -424.544 Base-Backbone interact. energy: -4.582 local terms energy: -498.376709 where: bonds (distance) C4'-P energy: -96.850 bonds (distance) P-C4' energy: -115.737 flat angles C4'-P-C4' energy: -109.446 flat angles P-C4'-P energy: -65.971 tors. eta vs tors. theta energy: -110.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1089.344494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.344494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.344494 (E_RNA) where: Base-Base interactions energy: -656.685 where: short stacking energy: -317.632 Base-Backbone interact. energy: 1.836 local terms energy: -434.495623 where: bonds (distance) C4'-P energy: -91.497 bonds (distance) P-C4' energy: -123.357 flat angles C4'-P-C4' energy: -114.824 flat angles P-C4'-P energy: -59.775 tors. eta vs tors. theta energy: -45.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -744.158496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.158496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.158496 (E_RNA) where: Base-Base interactions energy: -379.604 where: short stacking energy: -211.788 Base-Backbone interact. energy: -2.010 local terms energy: -362.545167 where: bonds (distance) C4'-P energy: -99.556 bonds (distance) P-C4' energy: -106.294 flat angles C4'-P-C4' energy: -83.826 flat angles P-C4'-P energy: -59.099 tors. eta vs tors. theta energy: -13.770 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: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -491.533274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.533274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.533274 (E_RNA) where: Base-Base interactions energy: -145.580 where: short stacking energy: -125.360 Base-Backbone interact. energy: -0.831 local terms energy: -345.121506 where: bonds (distance) C4'-P energy: -105.291 bonds (distance) P-C4' energy: -114.365 flat angles C4'-P-C4' energy: -98.773 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: 27.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2177.519842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.519842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.519842 (E_RNA) where: Base-Base interactions energy: -1490.143 where: short stacking energy: -670.065 Base-Backbone interact. energy: -1.534 local terms energy: -685.842906 where: bonds (distance) C4'-P energy: -121.117 bonds (distance) P-C4' energy: -136.919 flat angles C4'-P-C4' energy: -142.096 flat angles P-C4'-P energy: -88.353 tors. eta vs tors. theta energy: -197.357 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: 265 Temperature: 0.950000 Total energy: -2107.784470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.784470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.784470 (E_RNA) where: Base-Base interactions energy: -1469.084 where: short stacking energy: -609.638 Base-Backbone interact. energy: -1.616 local terms energy: -637.084189 where: bonds (distance) C4'-P energy: -108.501 bonds (distance) P-C4' energy: -121.566 flat angles C4'-P-C4' energy: -138.670 flat angles P-C4'-P energy: -91.936 tors. eta vs tors. theta energy: -176.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2017.943372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.943372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.943372 (E_RNA) where: Base-Base interactions energy: -1394.719 where: short stacking energy: -605.448 Base-Backbone interact. energy: -2.005 local terms energy: -621.218896 where: bonds (distance) C4'-P energy: -100.806 bonds (distance) P-C4' energy: -108.286 flat angles C4'-P-C4' energy: -133.376 flat angles P-C4'-P energy: -97.908 tors. eta vs tors. theta energy: -180.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1880.476380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.476380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.476380 (E_RNA) where: Base-Base interactions energy: -1297.848 where: short stacking energy: -539.180 Base-Backbone interact. energy: 1.824 local terms energy: -584.452654 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -129.316 flat angles P-C4'-P energy: -83.767 tors. eta vs tors. theta energy: -157.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1684.543079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.543079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.543079 (E_RNA) where: Base-Base interactions energy: -1103.120 where: short stacking energy: -499.552 Base-Backbone interact. energy: 0.100 local terms energy: -581.523348 where: bonds (distance) C4'-P energy: -126.147 bonds (distance) P-C4' energy: -112.622 flat angles C4'-P-C4' energy: -125.175 flat angles P-C4'-P energy: -73.804 tors. eta vs tors. theta energy: -143.775 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: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1621.231995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.231995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.231995 (E_RNA) where: Base-Base interactions energy: -1089.873 where: short stacking energy: -477.453 Base-Backbone interact. energy: -0.957 local terms energy: -530.401478 where: bonds (distance) C4'-P energy: -105.655 bonds (distance) P-C4' energy: -109.732 flat angles C4'-P-C4' energy: -123.778 flat angles P-C4'-P energy: -71.160 tors. eta vs tors. theta energy: -120.077 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: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1463.964597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.964597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.964597 (E_RNA) where: Base-Base interactions energy: -981.345 where: short stacking energy: -423.395 Base-Backbone interact. energy: -1.782 local terms energy: -480.837232 where: bonds (distance) C4'-P energy: -88.668 bonds (distance) P-C4' energy: -107.004 flat angles C4'-P-C4' energy: -131.962 flat angles P-C4'-P energy: -52.022 tors. eta vs tors. theta energy: -101.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1057.911703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.911703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.911703 (E_RNA) where: Base-Base interactions energy: -626.279 where: short stacking energy: -284.950 Base-Backbone interact. energy: 0.245 local terms energy: -431.877735 where: bonds (distance) C4'-P energy: -107.713 bonds (distance) P-C4' energy: -110.882 flat angles C4'-P-C4' energy: -105.755 flat angles P-C4'-P energy: -58.293 tors. eta vs tors. theta energy: -49.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -732.677074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.677074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.677074 (E_RNA) where: Base-Base interactions energy: -384.582 where: short stacking energy: -221.566 Base-Backbone interact. energy: -2.399 local terms energy: -345.695945 where: bonds (distance) C4'-P energy: -91.824 bonds (distance) P-C4' energy: -95.022 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -16.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -500.254197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.254197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.254197 (E_RNA) where: Base-Base interactions energy: -204.295 where: short stacking energy: -146.056 Base-Backbone interact. energy: 1.171 local terms energy: -297.130545 where: bonds (distance) C4'-P energy: -73.740 bonds (distance) P-C4' energy: -102.653 flat angles C4'-P-C4' energy: -88.709 flat angles P-C4'-P energy: -69.012 tors. eta vs tors. theta energy: 36.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2189.081943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.081943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.081943 (E_RNA) where: Base-Base interactions energy: -1488.317 where: short stacking energy: -664.844 Base-Backbone interact. energy: -2.264 local terms energy: -698.500929 where: bonds (distance) C4'-P energy: -118.969 bonds (distance) P-C4' energy: -126.737 flat angles C4'-P-C4' energy: -143.127 flat angles P-C4'-P energy: -110.048 tors. eta vs tors. theta energy: -199.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2122.883156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.883156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.883156 (E_RNA) where: Base-Base interactions energy: -1450.163 where: short stacking energy: -599.211 Base-Backbone interact. energy: -5.162 local terms energy: -667.557523 where: bonds (distance) C4'-P energy: -113.962 bonds (distance) P-C4' energy: -125.320 flat angles C4'-P-C4' energy: -143.409 flat angles P-C4'-P energy: -109.449 tors. eta vs tors. theta energy: -175.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2018.180263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.180263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.180263 (E_RNA) where: Base-Base interactions energy: -1359.503 where: short stacking energy: -576.302 Base-Backbone interact. energy: 2.903 local terms energy: -661.579860 where: bonds (distance) C4'-P energy: -128.348 bonds (distance) P-C4' energy: -135.171 flat angles C4'-P-C4' energy: -130.557 flat angles P-C4'-P energy: -92.113 tors. eta vs tors. theta energy: -175.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1960.676532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.676532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.676532 (E_RNA) where: Base-Base interactions energy: -1327.109 where: short stacking energy: -539.592 Base-Backbone interact. energy: 3.514 local terms energy: -637.081717 where: bonds (distance) C4'-P energy: -136.985 bonds (distance) P-C4' energy: -113.122 flat angles C4'-P-C4' energy: -137.638 flat angles P-C4'-P energy: -99.188 tors. eta vs tors. theta energy: -150.149 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: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1718.788709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.788709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.788709 (E_RNA) where: Base-Base interactions energy: -1106.737 where: short stacking energy: -529.866 Base-Backbone interact. energy: -1.163 local terms energy: -610.888723 where: bonds (distance) C4'-P energy: -124.239 bonds (distance) P-C4' energy: -130.947 flat angles C4'-P-C4' energy: -130.384 flat angles P-C4'-P energy: -84.586 tors. eta vs tors. theta energy: -140.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1608.606213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.606213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.606213 (E_RNA) where: Base-Base interactions energy: -1075.783 where: short stacking energy: -466.430 Base-Backbone interact. energy: -0.772 local terms energy: -532.051242 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -104.634 flat angles C4'-P-C4' energy: -125.138 flat angles P-C4'-P energy: -61.725 tors. eta vs tors. theta energy: -126.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1437.348720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.348720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.348720 (E_RNA) where: Base-Base interactions energy: -950.955 where: short stacking energy: -423.555 Base-Backbone interact. energy: -3.065 local terms energy: -483.328218 where: bonds (distance) C4'-P energy: -94.279 bonds (distance) P-C4' energy: -97.324 flat angles C4'-P-C4' energy: -122.215 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: -103.570 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: 266 Temperature: 1.250000 Total energy: -1067.244802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.244802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.244802 (E_RNA) where: Base-Base interactions energy: -685.652 where: short stacking energy: -330.498 Base-Backbone interact. energy: 1.691 local terms energy: -383.283890 where: bonds (distance) C4'-P energy: -87.673 bonds (distance) P-C4' energy: -106.341 flat angles C4'-P-C4' energy: -89.724 flat angles P-C4'-P energy: -55.972 tors. eta vs tors. theta energy: -43.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -736.663443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.663443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.663443 (E_RNA) where: Base-Base interactions energy: -378.223 where: short stacking energy: -193.814 Base-Backbone interact. energy: 5.935 local terms energy: -364.375916 where: bonds (distance) C4'-P energy: -110.059 bonds (distance) P-C4' energy: -102.644 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: 16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -492.755585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.755585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.755585 (E_RNA) where: Base-Base interactions energy: -197.966 where: short stacking energy: -163.897 Base-Backbone interact. energy: 1.858 local terms energy: -296.647679 where: bonds (distance) C4'-P energy: -94.850 bonds (distance) P-C4' energy: -102.623 flat angles C4'-P-C4' energy: -88.813 flat angles P-C4'-P energy: -41.581 tors. eta vs tors. theta energy: 31.219 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: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2159.798318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.798318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.798318 (E_RNA) where: Base-Base interactions energy: -1478.922 where: short stacking energy: -652.686 Base-Backbone interact. energy: 1.076 local terms energy: -681.951600 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -107.141 flat angles C4'-P-C4' energy: -148.465 flat angles P-C4'-P energy: -107.507 tors. eta vs tors. theta energy: -201.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2136.489775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.489775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.489775 (E_RNA) where: Base-Base interactions energy: -1458.510 where: short stacking energy: -608.050 Base-Backbone interact. energy: -5.103 local terms energy: -672.875850 where: bonds (distance) C4'-P energy: -123.009 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -150.620 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -172.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2016.968534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.968534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.968534 (E_RNA) where: Base-Base interactions energy: -1375.716 where: short stacking energy: -579.287 Base-Backbone interact. energy: -2.768 local terms energy: -638.484412 where: bonds (distance) C4'-P energy: -133.092 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -127.462 flat angles P-C4'-P energy: -86.997 tors. eta vs tors. theta energy: -175.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1954.884455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.884455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.884455 (E_RNA) where: Base-Base interactions energy: -1348.193 where: short stacking energy: -560.226 Base-Backbone interact. energy: -0.174 local terms energy: -606.517507 where: bonds (distance) C4'-P energy: -106.061 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -126.662 flat angles P-C4'-P energy: -98.631 tors. eta vs tors. theta energy: -157.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1700.545642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.545642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.545642 (E_RNA) where: Base-Base interactions energy: -1142.944 where: short stacking energy: -508.933 Base-Backbone interact. energy: -2.676 local terms energy: -554.925412 where: bonds (distance) C4'-P energy: -111.157 bonds (distance) P-C4' energy: -120.036 flat angles C4'-P-C4' energy: -111.061 flat angles P-C4'-P energy: -79.758 tors. eta vs tors. theta energy: -132.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1631.677019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.677019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.677019 (E_RNA) where: Base-Base interactions energy: -1128.058 where: short stacking energy: -485.710 Base-Backbone interact. energy: -0.448 local terms energy: -503.170639 where: bonds (distance) C4'-P energy: -101.966 bonds (distance) P-C4' energy: -103.052 flat angles C4'-P-C4' energy: -109.604 flat angles P-C4'-P energy: -75.340 tors. eta vs tors. theta energy: -113.209 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: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1478.613086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.613086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.613086 (E_RNA) where: Base-Base interactions energy: -961.911 where: short stacking energy: -425.558 Base-Backbone interact. energy: -4.391 local terms energy: -512.310848 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -114.996 flat angles C4'-P-C4' energy: -106.689 flat angles P-C4'-P energy: -81.418 tors. eta vs tors. theta energy: -103.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1079.617392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.617392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.617392 (E_RNA) where: Base-Base interactions energy: -656.319 where: short stacking energy: -301.522 Base-Backbone interact. energy: 3.641 local terms energy: -426.939097 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -109.438 flat angles C4'-P-C4' energy: -113.067 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -36.626 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: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -754.015317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.015317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.015317 (E_RNA) where: Base-Base interactions energy: -394.034 where: short stacking energy: -226.720 Base-Backbone interact. energy: 1.568 local terms energy: -361.549423 where: bonds (distance) C4'-P energy: -92.448 bonds (distance) P-C4' energy: -105.010 flat angles C4'-P-C4' energy: -88.894 flat angles P-C4'-P energy: -54.239 tors. eta vs tors. theta energy: -20.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -503.336549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.336549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.336549 (E_RNA) where: Base-Base interactions energy: -205.112 where: short stacking energy: -151.846 Base-Backbone interact. energy: 1.809 local terms energy: -300.033614 where: bonds (distance) C4'-P energy: -86.598 bonds (distance) P-C4' energy: -94.515 flat angles C4'-P-C4' energy: -99.772 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: 29.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2150.317425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.317425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.317425 (E_RNA) where: Base-Base interactions energy: -1446.335 where: short stacking energy: -655.531 Base-Backbone interact. energy: -5.937 local terms energy: -698.045832 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -132.738 flat angles C4'-P-C4' energy: -145.592 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -201.996 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: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2108.410178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.410178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.410178 (E_RNA) where: Base-Base interactions energy: -1471.619 where: short stacking energy: -600.256 Base-Backbone interact. energy: -3.610 local terms energy: -633.181154 where: bonds (distance) C4'-P energy: -112.000 bonds (distance) P-C4' energy: -128.116 flat angles C4'-P-C4' energy: -144.512 flat angles P-C4'-P energy: -92.945 tors. eta vs tors. theta energy: -155.609 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: 268 Temperature: 1.000000 Total energy: -2023.496624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.496624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.496624 (E_RNA) where: Base-Base interactions energy: -1343.862 where: short stacking energy: -595.879 Base-Backbone interact. energy: -1.672 local terms energy: -677.962313 where: bonds (distance) C4'-P energy: -138.509 bonds (distance) P-C4' energy: -138.861 flat angles C4'-P-C4' energy: -130.618 flat angles P-C4'-P energy: -93.597 tors. eta vs tors. theta energy: -176.376 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: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1930.133230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.133230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.133230 (E_RNA) where: Base-Base interactions energy: -1329.644 where: short stacking energy: -573.698 Base-Backbone interact. energy: -1.529 local terms energy: -598.960828 where: bonds (distance) C4'-P energy: -113.305 bonds (distance) P-C4' energy: -105.596 flat angles C4'-P-C4' energy: -131.985 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -159.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1712.165040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.165040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.165040 (E_RNA) where: Base-Base interactions energy: -1129.950 where: short stacking energy: -523.419 Base-Backbone interact. energy: -2.020 local terms energy: -580.195206 where: bonds (distance) C4'-P energy: -107.892 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -85.343 tors. eta vs tors. theta energy: -149.095 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: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1692.437503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.437503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.437503 (E_RNA) where: Base-Base interactions energy: -1123.912 where: short stacking energy: -472.987 Base-Backbone interact. energy: -1.886 local terms energy: -566.638651 where: bonds (distance) C4'-P energy: -123.937 bonds (distance) P-C4' energy: -107.347 flat angles C4'-P-C4' energy: -130.358 flat angles P-C4'-P energy: -79.873 tors. eta vs tors. theta energy: -125.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1418.211668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.211668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.211668 (E_RNA) where: Base-Base interactions energy: -962.226 where: short stacking energy: -426.981 Base-Backbone interact. energy: -2.297 local terms energy: -453.688923 where: bonds (distance) C4'-P energy: -94.942 bonds (distance) P-C4' energy: -100.412 flat angles C4'-P-C4' energy: -120.131 flat angles P-C4'-P energy: -64.964 tors. eta vs tors. theta energy: -73.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1157.463012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.463012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.463012 (E_RNA) where: Base-Base interactions energy: -729.871 where: short stacking energy: -353.990 Base-Backbone interact. energy: 0.222 local terms energy: -427.814055 where: bonds (distance) C4'-P energy: -78.853 bonds (distance) P-C4' energy: -105.637 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -62.392 tors. eta vs tors. theta energy: -75.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -747.800284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.800284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.800284 (E_RNA) where: Base-Base interactions energy: -370.228 where: short stacking energy: -225.458 Base-Backbone interact. energy: -2.445 local terms energy: -375.127157 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -101.035 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -56.269 tors. eta vs tors. theta energy: -7.538 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: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -510.094421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.094421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.094421 (E_RNA) where: Base-Base interactions energy: -181.869 where: short stacking energy: -156.817 Base-Backbone interact. energy: 0.076 local terms energy: -328.301952 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -100.291 flat angles C4'-P-C4' energy: -97.548 flat angles P-C4'-P energy: -36.117 tors. eta vs tors. theta energy: 22.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2164.163731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.163731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.163731 (E_RNA) where: Base-Base interactions energy: -1483.237 where: short stacking energy: -642.550 Base-Backbone interact. energy: -4.765 local terms energy: -676.161303 where: bonds (distance) C4'-P energy: -134.959 bonds (distance) P-C4' energy: -119.151 flat angles C4'-P-C4' energy: -141.912 flat angles P-C4'-P energy: -89.745 tors. eta vs tors. theta energy: -190.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2085.020722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.020722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.020722 (E_RNA) where: Base-Base interactions energy: -1451.505 where: short stacking energy: -573.732 Base-Backbone interact. energy: -3.211 local terms energy: -630.305050 where: bonds (distance) C4'-P energy: -122.723 bonds (distance) P-C4' energy: -119.727 flat angles C4'-P-C4' energy: -131.219 flat angles P-C4'-P energy: -86.878 tors. eta vs tors. theta energy: -169.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1992.900925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.900925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.900925 (E_RNA) where: Base-Base interactions energy: -1359.318 where: short stacking energy: -593.781 Base-Backbone interact. energy: -2.194 local terms energy: -631.388443 where: bonds (distance) C4'-P energy: -116.822 bonds (distance) P-C4' energy: -108.832 flat angles C4'-P-C4' energy: -146.243 flat angles P-C4'-P energy: -85.401 tors. eta vs tors. theta energy: -174.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1927.756622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.756622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.756622 (E_RNA) where: Base-Base interactions energy: -1336.511 where: short stacking energy: -582.625 Base-Backbone interact. energy: -2.983 local terms energy: -588.262357 where: bonds (distance) C4'-P energy: -92.930 bonds (distance) P-C4' energy: -120.957 flat angles C4'-P-C4' energy: -129.331 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -156.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1809.409569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.409569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.409569 (E_RNA) where: Base-Base interactions energy: -1195.452 where: short stacking energy: -543.814 Base-Backbone interact. energy: -1.376 local terms energy: -612.581527 where: bonds (distance) C4'-P energy: -108.382 bonds (distance) P-C4' energy: -114.899 flat angles C4'-P-C4' energy: -121.857 flat angles P-C4'-P energy: -98.903 tors. eta vs tors. theta energy: -168.540 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: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1702.326864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.326864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.326864 (E_RNA) where: Base-Base interactions energy: -1154.959 where: short stacking energy: -510.934 Base-Backbone interact. energy: 0.861 local terms energy: -548.229322 where: bonds (distance) C4'-P energy: -108.488 bonds (distance) P-C4' energy: -114.322 flat angles C4'-P-C4' energy: -134.582 flat angles P-C4'-P energy: -60.850 tors. eta vs tors. theta energy: -129.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1361.271622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.271622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.271622 (E_RNA) where: Base-Base interactions energy: -852.757 where: short stacking energy: -413.522 Base-Backbone interact. energy: -1.381 local terms energy: -507.133323 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -108.413 flat angles C4'-P-C4' energy: -107.439 flat angles P-C4'-P energy: -75.349 tors. eta vs tors. theta energy: -103.864 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: 269 Temperature: 1.250000 Total energy: -1140.576204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.576204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.576204 (E_RNA) where: Base-Base interactions energy: -720.682 where: short stacking energy: -308.616 Base-Backbone interact. energy: -2.080 local terms energy: -417.814348 where: bonds (distance) C4'-P energy: -100.106 bonds (distance) P-C4' energy: -114.980 flat angles C4'-P-C4' energy: -98.461 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -54.352 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: 6 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -757.965898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.965898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.965898 (E_RNA) where: Base-Base interactions energy: -390.360 where: short stacking energy: -223.544 Base-Backbone interact. energy: 0.630 local terms energy: -368.236124 where: bonds (distance) C4'-P energy: -92.149 bonds (distance) P-C4' energy: -110.379 flat angles C4'-P-C4' energy: -96.077 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: -8.893 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: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -484.766619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.766619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.766619 (E_RNA) where: Base-Base interactions energy: -184.083 where: short stacking energy: -125.332 Base-Backbone interact. energy: 0.815 local terms energy: -301.497921 where: bonds (distance) C4'-P energy: -110.571 bonds (distance) P-C4' energy: -88.670 flat angles C4'-P-C4' energy: -84.112 flat angles P-C4'-P energy: -49.852 tors. eta vs tors. theta energy: 31.708 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: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2145.838181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.838181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.838181 (E_RNA) where: Base-Base interactions energy: -1463.019 where: short stacking energy: -622.936 Base-Backbone interact. energy: -2.562 local terms energy: -680.256742 where: bonds (distance) C4'-P energy: -117.882 bonds (distance) P-C4' energy: -140.337 flat angles C4'-P-C4' energy: -135.088 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -194.025 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: 270 Temperature: 0.950000 Total energy: -2106.735671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.735671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.735671 (E_RNA) where: Base-Base interactions energy: -1441.239 where: short stacking energy: -571.479 Base-Backbone interact. energy: -8.170 local terms energy: -657.325959 where: bonds (distance) C4'-P energy: -126.960 bonds (distance) P-C4' energy: -124.417 flat angles C4'-P-C4' energy: -143.048 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -174.547 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: 270 Temperature: 1.000000 Total energy: -2044.944448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.944448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.944448 (E_RNA) where: Base-Base interactions energy: -1452.098 where: short stacking energy: -604.529 Base-Backbone interact. energy: -2.590 local terms energy: -590.255953 where: bonds (distance) C4'-P energy: -105.659 bonds (distance) P-C4' energy: -102.540 flat angles C4'-P-C4' energy: -125.278 flat angles P-C4'-P energy: -78.400 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: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1939.013961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.013961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.013961 (E_RNA) where: Base-Base interactions energy: -1310.951 where: short stacking energy: -572.516 Base-Backbone interact. energy: 0.734 local terms energy: -628.797162 where: bonds (distance) C4'-P energy: -112.352 bonds (distance) P-C4' energy: -109.677 flat angles C4'-P-C4' energy: -139.072 flat angles P-C4'-P energy: -94.878 tors. eta vs tors. theta energy: -172.819 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: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1757.679463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.679463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.679463 (E_RNA) where: Base-Base interactions energy: -1209.815 where: short stacking energy: -521.051 Base-Backbone interact. energy: -1.184 local terms energy: -546.681037 where: bonds (distance) C4'-P energy: -98.319 bonds (distance) P-C4' energy: -109.548 flat angles C4'-P-C4' energy: -129.835 flat angles P-C4'-P energy: -74.194 tors. eta vs tors. theta energy: -134.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1768.185511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.185511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.185511 (E_RNA) where: Base-Base interactions energy: -1163.248 where: short stacking energy: -514.454 Base-Backbone interact. energy: -1.104 local terms energy: -603.833490 where: bonds (distance) C4'-P energy: -119.874 bonds (distance) P-C4' energy: -132.392 flat angles C4'-P-C4' energy: -123.088 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -145.395 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: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1307.685230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.685230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.685230 (E_RNA) where: Base-Base interactions energy: -816.300 where: short stacking energy: -410.039 Base-Backbone interact. energy: 0.166 local terms energy: -491.550648 where: bonds (distance) C4'-P energy: -100.503 bonds (distance) P-C4' energy: -113.759 flat angles C4'-P-C4' energy: -103.828 flat angles P-C4'-P energy: -68.106 tors. eta vs tors. theta energy: -105.354 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: 270 Temperature: 1.250000 Total energy: -1138.456767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.456767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.456767 (E_RNA) where: Base-Base interactions energy: -724.251 where: short stacking energy: -307.028 Base-Backbone interact. energy: -0.007 local terms energy: -414.199567 where: bonds (distance) C4'-P energy: -93.030 bonds (distance) P-C4' energy: -112.808 flat angles C4'-P-C4' energy: -96.820 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: -50.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -843.314539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.314539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.314539 (E_RNA) where: Base-Base interactions energy: -483.067 where: short stacking energy: -252.471 Base-Backbone interact. energy: 1.430 local terms energy: -361.677275 where: bonds (distance) C4'-P energy: -86.246 bonds (distance) P-C4' energy: -104.990 flat angles C4'-P-C4' energy: -118.059 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -10.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -535.435612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.435612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.435612 (E_RNA) where: Base-Base interactions energy: -212.632 where: short stacking energy: -171.620 Base-Backbone interact. energy: 4.958 local terms energy: -327.762154 where: bonds (distance) C4'-P energy: -99.141 bonds (distance) P-C4' energy: -93.631 flat angles C4'-P-C4' energy: -80.692 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -4.953 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: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2131.842525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.842525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.842525 (E_RNA) where: Base-Base interactions energy: -1449.024 where: short stacking energy: -629.030 Base-Backbone interact. energy: -3.062 local terms energy: -679.756486 where: bonds (distance) C4'-P energy: -126.864 bonds (distance) P-C4' energy: -120.276 flat angles C4'-P-C4' energy: -135.042 flat angles P-C4'-P energy: -99.357 tors. eta vs tors. theta energy: -198.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2084.723131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.723131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.723131 (E_RNA) where: Base-Base interactions energy: -1430.849 where: short stacking energy: -606.851 Base-Backbone interact. energy: -5.360 local terms energy: -648.514608 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -122.211 flat angles C4'-P-C4' energy: -137.341 flat angles P-C4'-P energy: -95.591 tors. eta vs tors. theta energy: -164.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2038.778340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.778340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.778340 (E_RNA) where: Base-Base interactions energy: -1432.665 where: short stacking energy: -581.128 Base-Backbone interact. energy: -6.065 local terms energy: -600.048288 where: bonds (distance) C4'-P energy: -90.654 bonds (distance) P-C4' energy: -127.172 flat angles C4'-P-C4' energy: -130.748 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -158.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1945.886093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.886093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.886093 (E_RNA) where: Base-Base interactions energy: -1348.542 where: short stacking energy: -576.450 Base-Backbone interact. energy: 0.584 local terms energy: -597.927758 where: bonds (distance) C4'-P energy: -95.658 bonds (distance) P-C4' energy: -115.906 flat angles C4'-P-C4' energy: -131.222 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -165.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1780.849346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.849346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.849346 (E_RNA) where: Base-Base interactions energy: -1200.152 where: short stacking energy: -514.270 Base-Backbone interact. energy: 0.580 local terms energy: -581.277281 where: bonds (distance) C4'-P energy: -116.222 bonds (distance) P-C4' energy: -106.057 flat angles C4'-P-C4' energy: -129.772 flat angles P-C4'-P energy: -93.636 tors. eta vs tors. theta energy: -135.590 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: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1748.414260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.414260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.414260 (E_RNA) where: Base-Base interactions energy: -1183.919 where: short stacking energy: -524.320 Base-Backbone interact. energy: 0.734 local terms energy: -565.229563 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -91.242 flat angles C4'-P-C4' energy: -139.298 flat angles P-C4'-P energy: -68.555 tors. eta vs tors. theta energy: -159.739 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: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1375.357143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.357143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.357143 (E_RNA) where: Base-Base interactions energy: -854.118 where: short stacking energy: -411.829 Base-Backbone interact. energy: -3.099 local terms energy: -518.140098 where: bonds (distance) C4'-P energy: -94.883 bonds (distance) P-C4' energy: -117.118 flat angles C4'-P-C4' energy: -132.197 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -91.492 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: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1185.616157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.616157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.616157 (E_RNA) where: Base-Base interactions energy: -745.139 where: short stacking energy: -338.378 Base-Backbone interact. energy: -1.857 local terms energy: -438.620266 where: bonds (distance) C4'-P energy: -98.906 bonds (distance) P-C4' energy: -97.819 flat angles C4'-P-C4' energy: -105.697 flat angles P-C4'-P energy: -57.180 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: 9, replica: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -855.995071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.995071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.995071 (E_RNA) where: Base-Base interactions energy: -463.405 where: short stacking energy: -216.414 Base-Backbone interact. energy: -1.393 local terms energy: -391.197153 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -119.373 flat angles C4'-P-C4' energy: -91.998 flat angles P-C4'-P energy: -51.976 tors. eta vs tors. theta energy: -17.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -507.593253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.593253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.593253 (E_RNA) where: Base-Base interactions energy: -183.996 where: short stacking energy: -153.632 Base-Backbone interact. energy: 3.698 local terms energy: -327.295174 where: bonds (distance) C4'-P energy: -101.599 bonds (distance) P-C4' energy: -89.763 flat angles C4'-P-C4' energy: -96.403 flat angles P-C4'-P energy: -48.181 tors. eta vs tors. theta energy: 8.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2152.420976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.420976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.420976 (E_RNA) where: Base-Base interactions energy: -1440.789 where: short stacking energy: -622.958 Base-Backbone interact. energy: -2.846 local terms energy: -708.785208 where: bonds (distance) C4'-P energy: -120.850 bonds (distance) P-C4' energy: -147.990 flat angles C4'-P-C4' energy: -151.876 flat angles P-C4'-P energy: -94.052 tors. eta vs tors. theta energy: -194.018 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: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2108.330412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.330412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.330412 (E_RNA) where: Base-Base interactions energy: -1452.138 where: short stacking energy: -598.292 Base-Backbone interact. energy: -2.258 local terms energy: -653.933836 where: bonds (distance) C4'-P energy: -126.685 bonds (distance) P-C4' energy: -121.533 flat angles C4'-P-C4' energy: -146.176 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -163.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2010.830045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.830045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.830045 (E_RNA) where: Base-Base interactions energy: -1360.265 where: short stacking energy: -561.266 Base-Backbone interact. energy: 0.459 local terms energy: -651.024767 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -120.523 flat angles C4'-P-C4' energy: -137.764 flat angles P-C4'-P energy: -80.773 tors. eta vs tors. theta energy: -176.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1931.742200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.742200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.742200 (E_RNA) where: Base-Base interactions energy: -1329.313 where: short stacking energy: -589.827 Base-Backbone interact. energy: -2.468 local terms energy: -599.960980 where: bonds (distance) C4'-P energy: -112.778 bonds (distance) P-C4' energy: -99.572 flat angles C4'-P-C4' energy: -134.511 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -173.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1762.426939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.426939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.426939 (E_RNA) where: Base-Base interactions energy: -1192.234 where: short stacking energy: -517.847 Base-Backbone interact. energy: -4.156 local terms energy: -566.037634 where: bonds (distance) C4'-P energy: -112.415 bonds (distance) P-C4' energy: -113.023 flat angles C4'-P-C4' energy: -133.301 flat angles P-C4'-P energy: -75.524 tors. eta vs tors. theta energy: -131.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1729.428091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.428091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.428091 (E_RNA) where: Base-Base interactions energy: -1133.047 where: short stacking energy: -540.168 Base-Backbone interact. energy: -1.311 local terms energy: -595.070859 where: bonds (distance) C4'-P energy: -106.642 bonds (distance) P-C4' energy: -123.804 flat angles C4'-P-C4' energy: -128.255 flat angles P-C4'-P energy: -83.409 tors. eta vs tors. theta energy: -152.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1456.315334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.315334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.315334 (E_RNA) where: Base-Base interactions energy: -948.240 where: short stacking energy: -437.281 Base-Backbone interact. energy: 0.606 local terms energy: -508.680404 where: bonds (distance) C4'-P energy: -101.524 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -106.986 flat angles P-C4'-P energy: -79.902 tors. eta vs tors. theta energy: -108.930 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: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1168.587812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.587812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.587812 (E_RNA) where: Base-Base interactions energy: -744.060 where: short stacking energy: -348.844 Base-Backbone interact. energy: -2.552 local terms energy: -421.974878 where: bonds (distance) C4'-P energy: -98.435 bonds (distance) P-C4' energy: -95.748 flat angles C4'-P-C4' energy: -113.474 flat angles P-C4'-P energy: -50.989 tors. eta vs tors. theta energy: -63.329 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: 6 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -742.124537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.124537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.124537 (E_RNA) where: Base-Base interactions energy: -371.862 where: short stacking energy: -215.110 Base-Backbone interact. energy: 8.276 local terms energy: -378.538756 where: bonds (distance) C4'-P energy: -100.913 bonds (distance) P-C4' energy: -112.546 flat angles C4'-P-C4' energy: -85.678 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -23.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -503.526688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.526688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.526688 (E_RNA) where: Base-Base interactions energy: -153.251 where: short stacking energy: -115.344 Base-Backbone interact. energy: 2.329 local terms energy: -352.604500 where: bonds (distance) C4'-P energy: -105.403 bonds (distance) P-C4' energy: -113.262 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -74.495 tors. eta vs tors. theta energy: 31.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2160.665560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.665560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.665560 (E_RNA) where: Base-Base interactions energy: -1469.273 where: short stacking energy: -636.153 Base-Backbone interact. energy: -5.233 local terms energy: -686.159995 where: bonds (distance) C4'-P energy: -108.409 bonds (distance) P-C4' energy: -133.785 flat angles C4'-P-C4' energy: -140.939 flat angles P-C4'-P energy: -97.253 tors. eta vs tors. theta energy: -205.774 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: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2119.104225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.104225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.104225 (E_RNA) where: Base-Base interactions energy: -1468.274 where: short stacking energy: -607.023 Base-Backbone interact. energy: -5.082 local terms energy: -645.747846 where: bonds (distance) C4'-P energy: -116.688 bonds (distance) P-C4' energy: -124.752 flat angles C4'-P-C4' energy: -141.317 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: -180.169 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: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2026.890432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.890432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.890432 (E_RNA) where: Base-Base interactions energy: -1389.610 where: short stacking energy: -564.088 Base-Backbone interact. energy: -5.598 local terms energy: -631.681718 where: bonds (distance) C4'-P energy: -112.358 bonds (distance) P-C4' energy: -121.805 flat angles C4'-P-C4' energy: -146.573 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -165.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1940.236256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.236256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.236256 (E_RNA) where: Base-Base interactions energy: -1320.609 where: short stacking energy: -573.473 Base-Backbone interact. energy: 0.161 local terms energy: -619.787682 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -118.110 flat angles C4'-P-C4' energy: -135.384 flat angles P-C4'-P energy: -74.166 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: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1754.398698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.398698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.398698 (E_RNA) where: Base-Base interactions energy: -1164.943 where: short stacking energy: -500.831 Base-Backbone interact. energy: -4.085 local terms energy: -585.369990 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -105.557 flat angles C4'-P-C4' energy: -122.807 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: -135.553 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: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1686.539995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.539995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.539995 (E_RNA) where: Base-Base interactions energy: -1133.351 where: short stacking energy: -519.095 Base-Backbone interact. energy: 1.542 local terms energy: -554.731437 where: bonds (distance) C4'-P energy: -105.695 bonds (distance) P-C4' energy: -113.095 flat angles C4'-P-C4' energy: -117.927 flat angles P-C4'-P energy: -65.794 tors. eta vs tors. theta energy: -152.220 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: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1482.325045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.325045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.325045 (E_RNA) where: Base-Base interactions energy: -969.691 where: short stacking energy: -442.983 Base-Backbone interact. energy: 0.791 local terms energy: -513.424469 where: bonds (distance) C4'-P energy: -106.702 bonds (distance) P-C4' energy: -116.129 flat angles C4'-P-C4' energy: -107.063 flat angles P-C4'-P energy: -64.342 tors. eta vs tors. theta energy: -119.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1129.814293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.814293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.814293 (E_RNA) where: Base-Base interactions energy: -706.364 where: short stacking energy: -342.793 Base-Backbone interact. energy: 0.185 local terms energy: -423.634639 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -106.985 flat angles C4'-P-C4' energy: -97.764 flat angles P-C4'-P energy: -74.742 tors. eta vs tors. theta energy: -58.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -782.277237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.277237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.277237 (E_RNA) where: Base-Base interactions energy: -373.743 where: short stacking energy: -208.967 Base-Backbone interact. energy: 5.729 local terms energy: -414.262854 where: bonds (distance) C4'-P energy: -118.603 bonds (distance) P-C4' energy: -113.941 flat angles C4'-P-C4' energy: -115.407 flat angles P-C4'-P energy: -55.360 tors. eta vs tors. theta energy: -10.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -503.587825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.587825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.587825 (E_RNA) where: Base-Base interactions energy: -189.603 where: short stacking energy: -105.975 Base-Backbone interact. energy: 3.472 local terms energy: -317.457151 where: bonds (distance) C4'-P energy: -109.328 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -63.280 flat angles P-C4'-P energy: -55.735 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: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2175.511719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.511719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.511719 (E_RNA) where: Base-Base interactions energy: -1472.385 where: short stacking energy: -638.522 Base-Backbone interact. energy: -3.123 local terms energy: -700.004099 where: bonds (distance) C4'-P energy: -128.502 bonds (distance) P-C4' energy: -129.781 flat angles C4'-P-C4' energy: -140.729 flat angles P-C4'-P energy: -100.007 tors. eta vs tors. theta energy: -200.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2108.098385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.098385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.098385 (E_RNA) where: Base-Base interactions energy: -1437.832 where: short stacking energy: -597.319 Base-Backbone interact. energy: -7.654 local terms energy: -662.613017 where: bonds (distance) C4'-P energy: -119.399 bonds (distance) P-C4' energy: -130.637 flat angles C4'-P-C4' energy: -152.146 flat angles P-C4'-P energy: -89.672 tors. eta vs tors. theta energy: -170.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1987.342615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.342615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.342615 (E_RNA) where: Base-Base interactions energy: -1364.962 where: short stacking energy: -594.019 Base-Backbone interact. energy: -3.597 local terms energy: -618.783818 where: bonds (distance) C4'-P energy: -118.819 bonds (distance) P-C4' energy: -122.229 flat angles C4'-P-C4' energy: -122.451 flat angles P-C4'-P energy: -78.984 tors. eta vs tors. theta energy: -176.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1946.914121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.914121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.914121 (E_RNA) where: Base-Base interactions energy: -1303.575 where: short stacking energy: -557.256 Base-Backbone interact. energy: -2.349 local terms energy: -640.989539 where: bonds (distance) C4'-P energy: -111.231 bonds (distance) P-C4' energy: -128.663 flat angles C4'-P-C4' energy: -128.582 flat angles P-C4'-P energy: -92.734 tors. eta vs tors. theta energy: -179.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1752.037945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.037945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.037945 (E_RNA) where: Base-Base interactions energy: -1151.424 where: short stacking energy: -497.229 Base-Backbone interact. energy: -2.517 local terms energy: -598.096397 where: bonds (distance) C4'-P energy: -107.629 bonds (distance) P-C4' energy: -116.040 flat angles C4'-P-C4' energy: -143.446 flat angles P-C4'-P energy: -94.478 tors. eta vs tors. theta energy: -136.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1663.724115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.724115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.724115 (E_RNA) where: Base-Base interactions energy: -1084.425 where: short stacking energy: -514.095 Base-Backbone interact. energy: -0.292 local terms energy: -579.006796 where: bonds (distance) C4'-P energy: -110.315 bonds (distance) P-C4' energy: -112.524 flat angles C4'-P-C4' energy: -130.210 flat angles P-C4'-P energy: -76.741 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: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1391.033569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.033569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.033569 (E_RNA) where: Base-Base interactions energy: -908.528 where: short stacking energy: -427.020 Base-Backbone interact. energy: 3.617 local terms energy: -486.123323 where: bonds (distance) C4'-P energy: -87.918 bonds (distance) P-C4' energy: -117.938 flat angles C4'-P-C4' energy: -107.405 flat angles P-C4'-P energy: -65.380 tors. eta vs tors. theta energy: -107.482 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: 274 Temperature: 1.250000 Total energy: -1113.553883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.553883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.553883 (E_RNA) where: Base-Base interactions energy: -661.237 where: short stacking energy: -304.258 Base-Backbone interact. energy: 0.625 local terms energy: -452.941709 where: bonds (distance) C4'-P energy: -108.234 bonds (distance) P-C4' energy: -111.773 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -80.905 tors. eta vs tors. theta energy: -44.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -780.512435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.512435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.512435 (E_RNA) where: Base-Base interactions energy: -428.835 where: short stacking energy: -213.713 Base-Backbone interact. energy: 0.016 local terms energy: -351.693417 where: bonds (distance) C4'-P energy: -88.068 bonds (distance) P-C4' energy: -113.470 flat angles C4'-P-C4' energy: -98.273 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: -12.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -504.164135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.164135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.164135 (E_RNA) where: Base-Base interactions energy: -186.571 where: short stacking energy: -150.872 Base-Backbone interact. energy: 1.630 local terms energy: -319.222441 where: bonds (distance) C4'-P energy: -93.542 bonds (distance) P-C4' energy: -93.451 flat angles C4'-P-C4' energy: -95.839 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: 14.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2135.818773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.818773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.818773 (E_RNA) where: Base-Base interactions energy: -1449.040 where: short stacking energy: -640.177 Base-Backbone interact. energy: -0.818 local terms energy: -685.960914 where: bonds (distance) C4'-P energy: -115.893 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -137.942 flat angles P-C4'-P energy: -94.599 tors. eta vs tors. theta energy: -197.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2115.447356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.447356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.447356 (E_RNA) where: Base-Base interactions energy: -1473.174 where: short stacking energy: -593.613 Base-Backbone interact. energy: -8.946 local terms energy: -633.327494 where: bonds (distance) C4'-P energy: -116.865 bonds (distance) P-C4' energy: -117.730 flat angles C4'-P-C4' energy: -134.959 flat angles P-C4'-P energy: -102.131 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: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1992.015234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.015234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.015234 (E_RNA) where: Base-Base interactions energy: -1363.375 where: short stacking energy: -583.318 Base-Backbone interact. energy: -3.763 local terms energy: -624.878026 where: bonds (distance) C4'-P energy: -105.333 bonds (distance) P-C4' energy: -114.563 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -97.275 tors. eta vs tors. theta energy: -168.160 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: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1922.598278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.598278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.598278 (E_RNA) where: Base-Base interactions energy: -1287.116 where: short stacking energy: -560.277 Base-Backbone interact. energy: -5.778 local terms energy: -629.704727 where: bonds (distance) C4'-P energy: -116.243 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -141.568 flat angles P-C4'-P energy: -84.177 tors. eta vs tors. theta energy: -165.665 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: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1717.583992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.583992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.583992 (E_RNA) where: Base-Base interactions energy: -1178.438 where: short stacking energy: -504.742 Base-Backbone interact. energy: -1.966 local terms energy: -537.180261 where: bonds (distance) C4'-P energy: -105.696 bonds (distance) P-C4' energy: -105.042 flat angles C4'-P-C4' energy: -125.035 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -131.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1625.369900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.369900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.369900 (E_RNA) where: Base-Base interactions energy: -1062.787 where: short stacking energy: -481.360 Base-Backbone interact. energy: -0.980 local terms energy: -561.602928 where: bonds (distance) C4'-P energy: -108.683 bonds (distance) P-C4' energy: -119.887 flat angles C4'-P-C4' energy: -111.740 flat angles P-C4'-P energy: -82.797 tors. eta vs tors. theta energy: -138.496 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: 275 Temperature: 1.200000 Total energy: -1373.278199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.278199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.278199 (E_RNA) where: Base-Base interactions energy: -859.272 where: short stacking energy: -406.292 Base-Backbone interact. energy: -1.033 local terms energy: -512.973933 where: bonds (distance) C4'-P energy: -105.103 bonds (distance) P-C4' energy: -122.988 flat angles C4'-P-C4' energy: -110.468 flat angles P-C4'-P energy: -69.357 tors. eta vs tors. theta energy: -105.057 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: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1119.713986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.713986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.713986 (E_RNA) where: Base-Base interactions energy: -688.119 where: short stacking energy: -315.199 Base-Backbone interact. energy: -1.260 local terms energy: -430.335598 where: bonds (distance) C4'-P energy: -104.494 bonds (distance) P-C4' energy: -120.739 flat angles C4'-P-C4' energy: -98.500 flat angles P-C4'-P energy: -67.282 tors. eta vs tors. theta energy: -39.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -745.283417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.283417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.283417 (E_RNA) where: Base-Base interactions energy: -389.968 where: short stacking energy: -208.822 Base-Backbone interact. energy: 1.029 local terms energy: -356.343914 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -95.774 flat angles C4'-P-C4' energy: -100.505 flat angles P-C4'-P energy: -46.855 tors. eta vs tors. theta energy: 2.762 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: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -514.150117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.150117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.150117 (E_RNA) where: Base-Base interactions energy: -176.785 where: short stacking energy: -119.798 Base-Backbone interact. energy: -2.939 local terms energy: -334.426633 where: bonds (distance) C4'-P energy: -97.395 bonds (distance) P-C4' energy: -112.264 flat angles C4'-P-C4' energy: -95.037 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: 21.422 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: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2151.619152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.619152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.619152 (E_RNA) where: Base-Base interactions energy: -1475.640 where: short stacking energy: -640.028 Base-Backbone interact. energy: -0.360 local terms energy: -675.619205 where: bonds (distance) C4'-P energy: -112.692 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -140.608 flat angles P-C4'-P energy: -93.422 tors. eta vs tors. theta energy: -192.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2083.219429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.219429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.219429 (E_RNA) where: Base-Base interactions energy: -1425.677 where: short stacking energy: -594.704 Base-Backbone interact. energy: -4.857 local terms energy: -652.685858 where: bonds (distance) C4'-P energy: -122.283 bonds (distance) P-C4' energy: -123.610 flat angles C4'-P-C4' energy: -134.706 flat angles P-C4'-P energy: -92.815 tors. eta vs tors. theta energy: -179.272 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: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2002.138275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.138275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.138275 (E_RNA) where: Base-Base interactions energy: -1381.033 where: short stacking energy: -608.161 Base-Backbone interact. energy: -2.994 local terms energy: -618.110876 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -114.569 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -82.598 tors. eta vs tors. theta energy: -168.208 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: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1938.458164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.458164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.458164 (E_RNA) where: Base-Base interactions energy: -1341.191 where: short stacking energy: -591.597 Base-Backbone interact. energy: 3.790 local terms energy: -601.057155 where: bonds (distance) C4'-P energy: -105.698 bonds (distance) P-C4' energy: -115.953 flat angles C4'-P-C4' energy: -128.314 flat angles P-C4'-P energy: -79.370 tors. eta vs tors. theta energy: -171.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1737.130258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.130258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.130258 (E_RNA) where: Base-Base interactions energy: -1179.186 where: short stacking energy: -514.594 Base-Backbone interact. energy: -0.230 local terms energy: -557.714959 where: bonds (distance) C4'-P energy: -93.146 bonds (distance) P-C4' energy: -110.635 flat angles C4'-P-C4' energy: -130.346 flat angles P-C4'-P energy: -87.415 tors. eta vs tors. theta energy: -136.173 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: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1641.756936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.756936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.756936 (E_RNA) where: Base-Base interactions energy: -1114.672 where: short stacking energy: -500.975 Base-Backbone interact. energy: 2.569 local terms energy: -529.654323 where: bonds (distance) C4'-P energy: -100.250 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -111.291 flat angles P-C4'-P energy: -62.760 tors. eta vs tors. theta energy: -150.643 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: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1413.928780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.928780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.928780 (E_RNA) where: Base-Base interactions energy: -911.270 where: short stacking energy: -412.894 Base-Backbone interact. energy: -0.404 local terms energy: -502.254855 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -127.346 flat angles C4'-P-C4' energy: -103.010 flat angles P-C4'-P energy: -72.889 tors. eta vs tors. theta energy: -96.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1179.649855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.649855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.649855 (E_RNA) where: Base-Base interactions energy: -726.293 where: short stacking energy: -365.109 Base-Backbone interact. energy: 7.663 local terms energy: -461.019708 where: bonds (distance) C4'-P energy: -106.131 bonds (distance) P-C4' energy: -120.256 flat angles C4'-P-C4' energy: -103.561 flat angles P-C4'-P energy: -54.662 tors. eta vs tors. theta energy: -76.409 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: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -731.160080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.160080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.160080 (E_RNA) where: Base-Base interactions energy: -367.020 where: short stacking energy: -204.347 Base-Backbone interact. energy: 2.218 local terms energy: -366.358743 where: bonds (distance) C4'-P energy: -101.362 bonds (distance) P-C4' energy: -118.027 flat angles C4'-P-C4' energy: -88.444 flat angles P-C4'-P energy: -55.742 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -506.007829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.007829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.007829 (E_RNA) where: Base-Base interactions energy: -216.036 where: short stacking energy: -136.873 Base-Backbone interact. energy: -0.213 local terms energy: -289.758240 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -101.110 flat angles C4'-P-C4' energy: -77.027 flat angles P-C4'-P energy: -49.487 tors. eta vs tors. theta energy: 31.542 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2145.520129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.520129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.520129 (E_RNA) where: Base-Base interactions energy: -1463.842 where: short stacking energy: -644.507 Base-Backbone interact. energy: 1.904 local terms energy: -683.582097 where: bonds (distance) C4'-P energy: -123.707 bonds (distance) P-C4' energy: -126.415 flat angles C4'-P-C4' energy: -150.033 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -184.336 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: 277 Temperature: 0.950000 Total energy: -2085.179535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.179535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.179535 (E_RNA) where: Base-Base interactions energy: -1441.024 where: short stacking energy: -594.695 Base-Backbone interact. energy: -6.619 local terms energy: -637.536672 where: bonds (distance) C4'-P energy: -106.733 bonds (distance) P-C4' energy: -129.216 flat angles C4'-P-C4' energy: -129.326 flat angles P-C4'-P energy: -98.893 tors. eta vs tors. theta energy: -173.368 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: 277 Temperature: 1.000000 Total energy: -1994.944185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.944185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.944185 (E_RNA) where: Base-Base interactions energy: -1352.370 where: short stacking energy: -584.174 Base-Backbone interact. energy: -6.096 local terms energy: -636.477946 where: bonds (distance) C4'-P energy: -134.094 bonds (distance) P-C4' energy: -129.132 flat angles C4'-P-C4' energy: -128.750 flat angles P-C4'-P energy: -84.095 tors. eta vs tors. theta energy: -160.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1962.309891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.309891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.309891 (E_RNA) where: Base-Base interactions energy: -1335.808 where: short stacking energy: -582.711 Base-Backbone interact. energy: -4.275 local terms energy: -622.226359 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -144.460 flat angles P-C4'-P energy: -70.727 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: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1724.221473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.221473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.221473 (E_RNA) where: Base-Base interactions energy: -1187.916 where: short stacking energy: -494.074 Base-Backbone interact. energy: -3.666 local terms energy: -532.639167 where: bonds (distance) C4'-P energy: -121.556 bonds (distance) P-C4' energy: -93.712 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -58.569 tors. eta vs tors. theta energy: -126.136 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: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1604.840786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.840786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.840786 (E_RNA) where: Base-Base interactions energy: -1042.901 where: short stacking energy: -433.143 Base-Backbone interact. energy: -1.569 local terms energy: -560.370500 where: bonds (distance) C4'-P energy: -110.696 bonds (distance) P-C4' energy: -106.441 flat angles C4'-P-C4' energy: -131.096 flat angles P-C4'-P energy: -78.783 tors. eta vs tors. theta energy: -133.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1380.676684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.676684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.676684 (E_RNA) where: Base-Base interactions energy: -880.098 where: short stacking energy: -415.646 Base-Backbone interact. energy: -0.270 local terms energy: -500.308828 where: bonds (distance) C4'-P energy: -95.159 bonds (distance) P-C4' energy: -111.919 flat angles C4'-P-C4' energy: -112.453 flat angles P-C4'-P energy: -68.639 tors. eta vs tors. theta energy: -112.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1142.446353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.446353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.446353 (E_RNA) where: Base-Base interactions energy: -690.897 where: short stacking energy: -313.075 Base-Backbone interact. energy: 1.338 local terms energy: -452.887020 where: bonds (distance) C4'-P energy: -116.618 bonds (distance) P-C4' energy: -105.945 flat angles C4'-P-C4' energy: -106.196 flat angles P-C4'-P energy: -66.234 tors. eta vs tors. theta energy: -57.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -667.082261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.082261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.082261 (E_RNA) where: Base-Base interactions energy: -325.450 where: short stacking energy: -191.497 Base-Backbone interact. energy: 0.583 local terms energy: -342.215220 where: bonds (distance) C4'-P energy: -100.933 bonds (distance) P-C4' energy: -101.345 flat angles C4'-P-C4' energy: -92.098 flat angles P-C4'-P energy: -61.145 tors. eta vs tors. theta energy: 13.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -486.325095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.325095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.325095 (E_RNA) where: Base-Base interactions energy: -179.137 where: short stacking energy: -130.123 Base-Backbone interact. energy: 0.980 local terms energy: -308.168881 where: bonds (distance) C4'-P energy: -105.169 bonds (distance) P-C4' energy: -114.599 flat angles C4'-P-C4' energy: -89.713 flat angles P-C4'-P energy: -34.796 tors. eta vs tors. theta energy: 36.108 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: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2137.466717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.466717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.466717 (E_RNA) where: Base-Base interactions energy: -1450.422 where: short stacking energy: -604.249 Base-Backbone interact. energy: -3.513 local terms energy: -683.531557 where: bonds (distance) C4'-P energy: -124.669 bonds (distance) P-C4' energy: -130.573 flat angles C4'-P-C4' energy: -143.907 flat angles P-C4'-P energy: -98.632 tors. eta vs tors. theta energy: -185.750 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: 278 Temperature: 0.950000 Total energy: -2066.070026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.070026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.070026 (E_RNA) where: Base-Base interactions energy: -1425.268 where: short stacking energy: -595.125 Base-Backbone interact. energy: -7.371 local terms energy: -633.431133 where: bonds (distance) C4'-P energy: -119.135 bonds (distance) P-C4' energy: -124.715 flat angles C4'-P-C4' energy: -134.871 flat angles P-C4'-P energy: -80.806 tors. eta vs tors. theta energy: -173.905 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: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1999.467933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.467933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.467933 (E_RNA) where: Base-Base interactions energy: -1376.358 where: short stacking energy: -591.427 Base-Backbone interact. energy: -1.134 local terms energy: -621.976549 where: bonds (distance) C4'-P energy: -112.729 bonds (distance) P-C4' energy: -123.279 flat angles C4'-P-C4' energy: -139.635 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: -163.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1934.181921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.181921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.181921 (E_RNA) where: Base-Base interactions energy: -1344.430 where: short stacking energy: -588.889 Base-Backbone interact. energy: -2.431 local terms energy: -587.321638 where: bonds (distance) C4'-P energy: -100.166 bonds (distance) P-C4' energy: -108.421 flat angles C4'-P-C4' energy: -128.013 flat angles P-C4'-P energy: -81.950 tors. eta vs tors. theta energy: -168.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1737.871017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.871017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.871017 (E_RNA) where: Base-Base interactions energy: -1158.546 where: short stacking energy: -505.661 Base-Backbone interact. energy: -1.194 local terms energy: -578.131502 where: bonds (distance) C4'-P energy: -117.008 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -129.625 flat angles P-C4'-P energy: -76.064 tors. eta vs tors. theta energy: -142.422 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: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1612.025833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.025833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.025833 (E_RNA) where: Base-Base interactions energy: -1047.583 where: short stacking energy: -478.576 Base-Backbone interact. energy: -4.318 local terms energy: -560.125033 where: bonds (distance) C4'-P energy: -95.875 bonds (distance) P-C4' energy: -117.282 flat angles C4'-P-C4' energy: -131.244 flat angles P-C4'-P energy: -77.314 tors. eta vs tors. theta energy: -138.409 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: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1418.493312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.493312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.493312 (E_RNA) where: Base-Base interactions energy: -926.341 where: short stacking energy: -454.479 Base-Backbone interact. energy: 7.275 local terms energy: -499.426810 where: bonds (distance) C4'-P energy: -118.376 bonds (distance) P-C4' energy: -90.652 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -74.858 tors. eta vs tors. theta energy: -112.572 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: 278 Temperature: 1.250000 Total energy: -1145.169260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.169260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.169260 (E_RNA) where: Base-Base interactions energy: -714.615 where: short stacking energy: -327.514 Base-Backbone interact. energy: 0.827 local terms energy: -431.380555 where: bonds (distance) C4'-P energy: -111.767 bonds (distance) P-C4' energy: -111.242 flat angles C4'-P-C4' energy: -102.616 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -56.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -639.906502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.906502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.906502 (E_RNA) where: Base-Base interactions energy: -304.000 where: short stacking energy: -196.695 Base-Backbone interact. energy: 6.786 local terms energy: -342.692944 where: bonds (distance) C4'-P energy: -98.502 bonds (distance) P-C4' energy: -115.874 flat angles C4'-P-C4' energy: -98.000 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: 13.563 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: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -501.293981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.293981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.293981 (E_RNA) where: Base-Base interactions energy: -195.717 where: short stacking energy: -153.428 Base-Backbone interact. energy: -5.734 local terms energy: -299.842400 where: bonds (distance) C4'-P energy: -99.757 bonds (distance) P-C4' energy: -114.396 flat angles C4'-P-C4' energy: -74.679 flat angles P-C4'-P energy: -34.898 tors. eta vs tors. theta energy: 23.888 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: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2190.259481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.259481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.259481 (E_RNA) where: Base-Base interactions energy: -1517.863 where: short stacking energy: -631.830 Base-Backbone interact. energy: -3.780 local terms energy: -668.615624 where: bonds (distance) C4'-P energy: -121.644 bonds (distance) P-C4' energy: -113.824 flat angles C4'-P-C4' energy: -139.961 flat angles P-C4'-P energy: -99.180 tors. eta vs tors. theta energy: -194.006 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: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2058.361937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.361937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.361937 (E_RNA) where: Base-Base interactions energy: -1393.352 where: short stacking energy: -598.540 Base-Backbone interact. energy: -3.717 local terms energy: -661.292598 where: bonds (distance) C4'-P energy: -116.540 bonds (distance) P-C4' energy: -125.015 flat angles C4'-P-C4' energy: -142.904 flat angles P-C4'-P energy: -104.748 tors. eta vs tors. theta energy: -172.087 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: 279 Temperature: 1.000000 Total energy: -1999.955516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.955516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.955516 (E_RNA) where: Base-Base interactions energy: -1369.180 where: short stacking energy: -619.080 Base-Backbone interact. energy: -4.556 local terms energy: -626.218856 where: bonds (distance) C4'-P energy: -120.207 bonds (distance) P-C4' energy: -110.938 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -81.316 tors. eta vs tors. theta energy: -178.446 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: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1941.847756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.847756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.847756 (E_RNA) where: Base-Base interactions energy: -1337.940 where: short stacking energy: -562.252 Base-Backbone interact. energy: -4.027 local terms energy: -599.880138 where: bonds (distance) C4'-P energy: -106.160 bonds (distance) P-C4' energy: -117.904 flat angles C4'-P-C4' energy: -132.978 flat angles P-C4'-P energy: -79.823 tors. eta vs tors. theta energy: -163.016 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: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1763.878599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.878599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.878599 (E_RNA) where: Base-Base interactions energy: -1179.059 where: short stacking energy: -516.061 Base-Backbone interact. energy: -1.189 local terms energy: -583.630303 where: bonds (distance) C4'-P energy: -109.484 bonds (distance) P-C4' energy: -113.018 flat angles C4'-P-C4' energy: -141.908 flat angles P-C4'-P energy: -80.457 tors. eta vs tors. theta energy: -138.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1622.377571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.377571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.377571 (E_RNA) where: Base-Base interactions energy: -1076.128 where: short stacking energy: -457.870 Base-Backbone interact. energy: -1.895 local terms energy: -544.354395 where: bonds (distance) C4'-P energy: -107.764 bonds (distance) P-C4' energy: -114.781 flat angles C4'-P-C4' energy: -117.957 flat angles P-C4'-P energy: -76.479 tors. eta vs tors. theta energy: -127.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1382.009683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.009683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.009683 (E_RNA) where: Base-Base interactions energy: -881.620 where: short stacking energy: -421.005 Base-Backbone interact. energy: -3.037 local terms energy: -497.352951 where: bonds (distance) C4'-P energy: -100.963 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -120.024 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -93.968 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: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1135.528380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.528380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.528380 (E_RNA) where: Base-Base interactions energy: -741.249 where: short stacking energy: -318.705 Base-Backbone interact. energy: 3.878 local terms energy: -398.157566 where: bonds (distance) C4'-P energy: -68.243 bonds (distance) P-C4' energy: -111.435 flat angles C4'-P-C4' energy: -109.124 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: -58.594 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: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -693.452602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.452602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.452602 (E_RNA) where: Base-Base interactions energy: -336.958 where: short stacking energy: -206.837 Base-Backbone interact. energy: 5.321 local terms energy: -361.816098 where: bonds (distance) C4'-P energy: -99.235 bonds (distance) P-C4' energy: -104.744 flat angles C4'-P-C4' energy: -104.314 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -487.532925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.532925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.532925 (E_RNA) where: Base-Base interactions energy: -168.238 where: short stacking energy: -146.380 Base-Backbone interact. energy: 2.419 local terms energy: -321.713977 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -93.088 flat angles C4'-P-C4' energy: -87.929 flat angles P-C4'-P energy: -54.445 tors. eta vs tors. theta energy: 11.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2176.168807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.168807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.168807 (E_RNA) where: Base-Base interactions energy: -1506.656 where: short stacking energy: -657.210 Base-Backbone interact. energy: -1.491 local terms energy: -668.021597 where: bonds (distance) C4'-P energy: -127.208 bonds (distance) P-C4' energy: -106.099 flat angles C4'-P-C4' energy: -142.810 flat angles P-C4'-P energy: -92.928 tors. eta vs tors. theta energy: -198.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2083.414607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.414607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.414607 (E_RNA) where: Base-Base interactions energy: -1439.546 where: short stacking energy: -596.433 Base-Backbone interact. energy: -5.656 local terms energy: -638.211808 where: bonds (distance) C4'-P energy: -92.537 bonds (distance) P-C4' energy: -130.498 flat angles C4'-P-C4' energy: -132.167 flat angles P-C4'-P energy: -102.580 tors. eta vs tors. theta energy: -180.430 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: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1964.382516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.382516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.382516 (E_RNA) where: Base-Base interactions energy: -1336.618 where: short stacking energy: -582.433 Base-Backbone interact. energy: 0.693 local terms energy: -628.457604 where: bonds (distance) C4'-P energy: -108.280 bonds (distance) P-C4' energy: -122.809 flat angles C4'-P-C4' energy: -140.163 flat angles P-C4'-P energy: -90.468 tors. eta vs tors. theta energy: -166.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1924.830814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.830814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.830814 (E_RNA) where: Base-Base interactions energy: -1319.321 where: short stacking energy: -574.081 Base-Backbone interact. energy: -2.886 local terms energy: -602.624207 where: bonds (distance) C4'-P energy: -112.267 bonds (distance) P-C4' energy: -102.343 flat angles C4'-P-C4' energy: -136.747 flat angles P-C4'-P energy: -84.484 tors. eta vs tors. theta energy: -166.783 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: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1762.549569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.549569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.549569 (E_RNA) where: Base-Base interactions energy: -1205.949 where: short stacking energy: -532.093 Base-Backbone interact. energy: -0.505 local terms energy: -556.096135 where: bonds (distance) C4'-P energy: -102.369 bonds (distance) P-C4' energy: -107.808 flat angles C4'-P-C4' energy: -132.469 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -134.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1603.873279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.873279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.873279 (E_RNA) where: Base-Base interactions energy: -1077.666 where: short stacking energy: -466.556 Base-Backbone interact. energy: 0.687 local terms energy: -526.894899 where: bonds (distance) C4'-P energy: -100.248 bonds (distance) P-C4' energy: -109.257 flat angles C4'-P-C4' energy: -117.445 flat angles P-C4'-P energy: -73.465 tors. eta vs tors. theta energy: -126.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1400.894272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.894272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.894272 (E_RNA) where: Base-Base interactions energy: -892.047 where: short stacking energy: -409.940 Base-Backbone interact. energy: 0.823 local terms energy: -509.670231 where: bonds (distance) C4'-P energy: -103.355 bonds (distance) P-C4' energy: -117.337 flat angles C4'-P-C4' energy: -125.740 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -93.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1212.404607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.404607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.404607 (E_RNA) where: Base-Base interactions energy: -732.945 where: short stacking energy: -332.459 Base-Backbone interact. energy: -2.003 local terms energy: -477.456926 where: bonds (distance) C4'-P energy: -107.558 bonds (distance) P-C4' energy: -117.908 flat angles C4'-P-C4' energy: -107.485 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -79.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -654.442325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.442325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.442325 (E_RNA) where: Base-Base interactions energy: -292.861 where: short stacking energy: -192.588 Base-Backbone interact. energy: 0.671 local terms energy: -362.251412 where: bonds (distance) C4'-P energy: -93.056 bonds (distance) P-C4' energy: -110.536 flat angles C4'-P-C4' energy: -80.950 flat angles P-C4'-P energy: -65.104 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -484.364475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.364475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.364475 (E_RNA) where: Base-Base interactions energy: -180.935 where: short stacking energy: -140.123 Base-Backbone interact. energy: 2.616 local terms energy: -306.045108 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -89.994 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: 18.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2157.088527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.088527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.088527 (E_RNA) where: Base-Base interactions energy: -1472.764 where: short stacking energy: -641.494 Base-Backbone interact. energy: 3.277 local terms energy: -687.601954 where: bonds (distance) C4'-P energy: -125.309 bonds (distance) P-C4' energy: -126.415 flat angles C4'-P-C4' energy: -144.269 flat angles P-C4'-P energy: -106.959 tors. eta vs tors. theta energy: -184.650 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: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2052.496267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.496267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.496267 (E_RNA) where: Base-Base interactions energy: -1395.218 where: short stacking energy: -620.704 Base-Backbone interact. energy: -3.259 local terms energy: -654.019894 where: bonds (distance) C4'-P energy: -125.508 bonds (distance) P-C4' energy: -111.069 flat angles C4'-P-C4' energy: -143.774 flat angles P-C4'-P energy: -85.294 tors. eta vs tors. theta energy: -188.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2046.737892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.737892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.737892 (E_RNA) where: Base-Base interactions energy: -1405.034 where: short stacking energy: -586.820 Base-Backbone interact. energy: -5.722 local terms energy: -635.982370 where: bonds (distance) C4'-P energy: -108.714 bonds (distance) P-C4' energy: -115.133 flat angles C4'-P-C4' energy: -139.200 flat angles P-C4'-P energy: -87.556 tors. eta vs tors. theta energy: -185.380 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: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1964.584378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.584378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.584378 (E_RNA) where: Base-Base interactions energy: -1362.021 where: short stacking energy: -582.577 Base-Backbone interact. energy: 1.422 local terms energy: -603.985078 where: bonds (distance) C4'-P energy: -100.829 bonds (distance) P-C4' energy: -132.023 flat angles C4'-P-C4' energy: -137.118 flat angles P-C4'-P energy: -70.931 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: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1811.642640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.642640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.642640 (E_RNA) where: Base-Base interactions energy: -1231.381 where: short stacking energy: -539.527 Base-Backbone interact. energy: -2.071 local terms energy: -578.190938 where: bonds (distance) C4'-P energy: -110.967 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -116.210 flat angles P-C4'-P energy: -92.952 tors. eta vs tors. theta energy: -146.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1622.854762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.854762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.854762 (E_RNA) where: Base-Base interactions energy: -1088.257 where: short stacking energy: -468.367 Base-Backbone interact. energy: 0.430 local terms energy: -535.028223 where: bonds (distance) C4'-P energy: -98.203 bonds (distance) P-C4' energy: -119.657 flat angles C4'-P-C4' energy: -108.555 flat angles P-C4'-P energy: -76.126 tors. eta vs tors. theta energy: -132.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1379.218578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.218578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.218578 (E_RNA) where: Base-Base interactions energy: -894.271 where: short stacking energy: -406.394 Base-Backbone interact. energy: -1.129 local terms energy: -483.819024 where: bonds (distance) C4'-P energy: -79.952 bonds (distance) P-C4' energy: -120.738 flat angles C4'-P-C4' energy: -103.295 flat angles P-C4'-P energy: -82.252 tors. eta vs tors. theta energy: -97.581 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: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1164.829412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.829412 (E_RNA) where: Base-Base interactions energy: -730.006 where: short stacking energy: -341.084 Base-Backbone interact. energy: -2.026 local terms energy: -432.797334 where: bonds (distance) C4'-P energy: -90.602 bonds (distance) P-C4' energy: -119.883 flat angles C4'-P-C4' energy: -99.745 flat angles P-C4'-P energy: -54.292 tors. eta vs tors. theta energy: -68.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -635.145114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.145114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.145114 (E_RNA) where: Base-Base interactions energy: -279.632 where: short stacking energy: -194.776 Base-Backbone interact. energy: 10.487 local terms energy: -366.000086 where: bonds (distance) C4'-P energy: -111.661 bonds (distance) P-C4' energy: -106.054 flat angles C4'-P-C4' energy: -101.017 flat angles P-C4'-P energy: -56.415 tors. eta vs tors. theta energy: 9.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -547.552414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.552414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.552414 (E_RNA) where: Base-Base interactions energy: -248.907 where: short stacking energy: -153.785 Base-Backbone interact. energy: 12.979 local terms energy: -311.624044 where: bonds (distance) C4'-P energy: -91.496 bonds (distance) P-C4' energy: -109.468 flat angles C4'-P-C4' energy: -95.428 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: 27.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2165.831700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.831700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.831700 (E_RNA) where: Base-Base interactions energy: -1490.671 where: short stacking energy: -653.623 Base-Backbone interact. energy: -2.859 local terms energy: -672.301986 where: bonds (distance) C4'-P energy: -118.696 bonds (distance) P-C4' energy: -117.478 flat angles C4'-P-C4' energy: -140.456 flat angles P-C4'-P energy: -98.089 tors. eta vs tors. theta energy: -197.582 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: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2068.724291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.724291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.724291 (E_RNA) where: Base-Base interactions energy: -1416.135 where: short stacking energy: -614.549 Base-Backbone interact. energy: -1.350 local terms energy: -651.238819 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -121.685 flat angles C4'-P-C4' energy: -132.542 flat angles P-C4'-P energy: -98.893 tors. eta vs tors. theta energy: -193.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1957.097541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.097541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.097541 (E_RNA) where: Base-Base interactions energy: -1315.171 where: short stacking energy: -582.615 Base-Backbone interact. energy: -4.117 local terms energy: -637.809496 where: bonds (distance) C4'-P energy: -125.647 bonds (distance) P-C4' energy: -128.673 flat angles C4'-P-C4' energy: -131.390 flat angles P-C4'-P energy: -88.164 tors. eta vs tors. theta energy: -163.937 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: 282 Temperature: 1.050000 Total energy: -1986.257551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.257551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.257551 (E_RNA) where: Base-Base interactions energy: -1370.669 where: short stacking energy: -566.822 Base-Backbone interact. energy: -3.567 local terms energy: -612.021401 where: bonds (distance) C4'-P energy: -120.216 bonds (distance) P-C4' energy: -122.017 flat angles C4'-P-C4' energy: -134.966 flat angles P-C4'-P energy: -75.309 tors. eta vs tors. theta energy: -159.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1780.605643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.605643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.605643 (E_RNA) where: Base-Base interactions energy: -1208.351 where: short stacking energy: -524.764 Base-Backbone interact. energy: -2.970 local terms energy: -569.284272 where: bonds (distance) C4'-P energy: -100.369 bonds (distance) P-C4' energy: -119.187 flat angles C4'-P-C4' energy: -131.555 flat angles P-C4'-P energy: -74.685 tors. eta vs tors. theta energy: -143.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1589.080381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.080381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.080381 (E_RNA) where: Base-Base interactions energy: -1056.841 where: short stacking energy: -439.089 Base-Backbone interact. energy: 1.188 local terms energy: -533.427697 where: bonds (distance) C4'-P energy: -88.425 bonds (distance) P-C4' energy: -121.161 flat angles C4'-P-C4' energy: -105.730 flat angles P-C4'-P energy: -83.280 tors. eta vs tors. theta energy: -134.831 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: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1328.914618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.914618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.914618 (E_RNA) where: Base-Base interactions energy: -836.208 where: short stacking energy: -388.467 Base-Backbone interact. energy: -1.435 local terms energy: -491.272186 where: bonds (distance) C4'-P energy: -109.396 bonds (distance) P-C4' energy: -109.510 flat angles C4'-P-C4' energy: -116.328 flat angles P-C4'-P energy: -66.240 tors. eta vs tors. theta energy: -89.799 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: 282 Temperature: 1.250000 Total energy: -1098.739387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.739387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.739387 (E_RNA) where: Base-Base interactions energy: -702.542 where: short stacking energy: -332.552 Base-Backbone interact. energy: -1.573 local terms energy: -394.624134 where: bonds (distance) C4'-P energy: -105.079 bonds (distance) P-C4' energy: -109.366 flat angles C4'-P-C4' energy: -100.719 flat angles P-C4'-P energy: -42.363 tors. eta vs tors. theta energy: -37.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -657.812003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.812003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.812003 (E_RNA) where: Base-Base interactions energy: -320.136 where: short stacking energy: -200.900 Base-Backbone interact. energy: 5.824 local terms energy: -343.500392 where: bonds (distance) C4'-P energy: -90.451 bonds (distance) P-C4' energy: -96.616 flat angles C4'-P-C4' energy: -95.898 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -558.969728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.969728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.969728 (E_RNA) where: Base-Base interactions energy: -248.971 where: short stacking energy: -168.167 Base-Backbone interact. energy: 0.226 local terms energy: -310.224212 where: bonds (distance) C4'-P energy: -62.320 bonds (distance) P-C4' energy: -110.918 flat angles C4'-P-C4' energy: -92.449 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: 28.937 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: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2172.916659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.916659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.916659 (E_RNA) where: Base-Base interactions energy: -1476.396 where: short stacking energy: -664.804 Base-Backbone interact. energy: -1.758 local terms energy: -694.763262 where: bonds (distance) C4'-P energy: -130.943 bonds (distance) P-C4' energy: -125.313 flat angles C4'-P-C4' energy: -138.289 flat angles P-C4'-P energy: -97.470 tors. eta vs tors. theta energy: -202.749 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: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2079.241876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.241876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.241876 (E_RNA) where: Base-Base interactions energy: -1397.221 where: short stacking energy: -608.587 Base-Backbone interact. energy: 0.347 local terms energy: -682.367253 where: bonds (distance) C4'-P energy: -125.249 bonds (distance) P-C4' energy: -125.420 flat angles C4'-P-C4' energy: -146.229 flat angles P-C4'-P energy: -96.689 tors. eta vs tors. theta energy: -188.780 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: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2006.416136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.416136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.416136 (E_RNA) where: Base-Base interactions energy: -1375.677 where: short stacking energy: -584.043 Base-Backbone interact. energy: -1.378 local terms energy: -629.360314 where: bonds (distance) C4'-P energy: -118.484 bonds (distance) P-C4' energy: -127.491 flat angles C4'-P-C4' energy: -132.922 flat angles P-C4'-P energy: -88.356 tors. eta vs tors. theta energy: -162.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1951.816141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.816141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.816141 (E_RNA) where: Base-Base interactions energy: -1340.767 where: short stacking energy: -568.228 Base-Backbone interact. energy: -4.722 local terms energy: -606.326651 where: bonds (distance) C4'-P energy: -112.965 bonds (distance) P-C4' energy: -114.788 flat angles C4'-P-C4' energy: -137.401 flat angles P-C4'-P energy: -73.402 tors. eta vs tors. theta energy: -167.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1797.795795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.795795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.795795 (E_RNA) where: Base-Base interactions energy: -1230.845 where: short stacking energy: -524.695 Base-Backbone interact. energy: -3.299 local terms energy: -563.651401 where: bonds (distance) C4'-P energy: -101.217 bonds (distance) P-C4' energy: -118.529 flat angles C4'-P-C4' energy: -117.347 flat angles P-C4'-P energy: -83.535 tors. eta vs tors. theta energy: -143.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1606.242600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.242600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.242600 (E_RNA) where: Base-Base interactions energy: -1054.979 where: short stacking energy: -463.592 Base-Backbone interact. energy: -3.622 local terms energy: -547.641028 where: bonds (distance) C4'-P energy: -119.953 bonds (distance) P-C4' energy: -109.148 flat angles C4'-P-C4' energy: -120.370 flat angles P-C4'-P energy: -74.598 tors. eta vs tors. theta energy: -123.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1345.138877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.138877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.138877 (E_RNA) where: Base-Base interactions energy: -858.194 where: short stacking energy: -409.851 Base-Backbone interact. energy: -1.563 local terms energy: -485.381857 where: bonds (distance) C4'-P energy: -99.171 bonds (distance) P-C4' energy: -88.991 flat angles C4'-P-C4' energy: -118.520 flat angles P-C4'-P energy: -73.765 tors. eta vs tors. theta energy: -104.934 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: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1179.352410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.352410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.352410 (E_RNA) where: Base-Base interactions energy: -735.298 where: short stacking energy: -364.483 Base-Backbone interact. energy: -0.064 local terms energy: -443.989690 where: bonds (distance) C4'-P energy: -106.882 bonds (distance) P-C4' energy: -115.713 flat angles C4'-P-C4' energy: -104.521 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -55.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -672.369430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.369430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.369430 (E_RNA) where: Base-Base interactions energy: -337.338 where: short stacking energy: -179.538 Base-Backbone interact. energy: -4.573 local terms energy: -330.458030 where: bonds (distance) C4'-P energy: -117.815 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -91.570 flat angles P-C4'-P energy: -29.350 tors. eta vs tors. theta energy: -1.990 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: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -512.525208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.525208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.525208 (E_RNA) where: Base-Base interactions energy: -196.296 where: short stacking energy: -131.557 Base-Backbone interact. energy: 1.626 local terms energy: -317.854970 where: bonds (distance) C4'-P energy: -106.494 bonds (distance) P-C4' energy: -112.864 flat angles C4'-P-C4' energy: -89.316 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: 36.547 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: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2180.139170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.139170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.139170 (E_RNA) where: Base-Base interactions energy: -1501.239 where: short stacking energy: -665.354 Base-Backbone interact. energy: 0.002 local terms energy: -678.901688 where: bonds (distance) C4'-P energy: -133.661 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -139.507 flat angles P-C4'-P energy: -88.346 tors. eta vs tors. theta energy: -195.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2043.306302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.306302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.306302 (E_RNA) where: Base-Base interactions energy: -1382.932 where: short stacking energy: -592.888 Base-Backbone interact. energy: -2.504 local terms energy: -657.870584 where: bonds (distance) C4'-P energy: -103.359 bonds (distance) P-C4' energy: -126.416 flat angles C4'-P-C4' energy: -133.818 flat angles P-C4'-P energy: -109.827 tors. eta vs tors. theta energy: -184.451 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: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2000.913525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.913525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.913525 (E_RNA) where: Base-Base interactions energy: -1345.441 where: short stacking energy: -611.064 Base-Backbone interact. energy: -3.052 local terms energy: -652.420689 where: bonds (distance) C4'-P energy: -123.631 bonds (distance) P-C4' energy: -116.092 flat angles C4'-P-C4' energy: -139.480 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -182.042 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: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1960.500223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.500223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.500223 (E_RNA) where: Base-Base interactions energy: -1365.202 where: short stacking energy: -565.896 Base-Backbone interact. energy: -2.166 local terms energy: -593.132538 where: bonds (distance) C4'-P energy: -124.655 bonds (distance) P-C4' energy: -121.147 flat angles C4'-P-C4' energy: -134.565 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -156.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1770.938147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.938147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.938147 (E_RNA) where: Base-Base interactions energy: -1193.611 where: short stacking energy: -519.627 Base-Backbone interact. energy: 5.006 local terms energy: -582.333269 where: bonds (distance) C4'-P energy: -117.581 bonds (distance) P-C4' energy: -111.101 flat angles C4'-P-C4' energy: -128.304 flat angles P-C4'-P energy: -84.081 tors. eta vs tors. theta energy: -141.267 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: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1644.064001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.064001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.064001 (E_RNA) where: Base-Base interactions energy: -1089.954 where: short stacking energy: -484.222 Base-Backbone interact. energy: -2.184 local terms energy: -551.926614 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -114.245 flat angles C4'-P-C4' energy: -128.157 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -136.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1390.242874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.242874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.242874 (E_RNA) where: Base-Base interactions energy: -901.168 where: short stacking energy: -391.387 Base-Backbone interact. energy: -0.797 local terms energy: -488.278215 where: bonds (distance) C4'-P energy: -102.974 bonds (distance) P-C4' energy: -117.115 flat angles C4'-P-C4' energy: -108.174 flat angles P-C4'-P energy: -58.383 tors. eta vs tors. theta energy: -101.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1207.750520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.750520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.750520 (E_RNA) where: Base-Base interactions energy: -771.651 where: short stacking energy: -378.959 Base-Backbone interact. energy: -0.080 local terms energy: -436.019566 where: bonds (distance) C4'-P energy: -88.887 bonds (distance) P-C4' energy: -109.365 flat angles C4'-P-C4' energy: -109.589 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -77.613 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: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -660.907338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.907338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.907338 (E_RNA) where: Base-Base interactions energy: -341.941 where: short stacking energy: -201.084 Base-Backbone interact. energy: 2.745 local terms energy: -321.711486 where: bonds (distance) C4'-P energy: -103.184 bonds (distance) P-C4' energy: -93.219 flat angles C4'-P-C4' energy: -88.262 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -490.169394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.169394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.169394 (E_RNA) where: Base-Base interactions energy: -168.479 where: short stacking energy: -139.224 Base-Backbone interact. energy: 5.334 local terms energy: -327.023892 where: bonds (distance) C4'-P energy: -83.396 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -94.966 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: 35.560 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: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2203.358873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.358873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.358873 (E_RNA) where: Base-Base interactions energy: -1504.038 where: short stacking energy: -671.650 Base-Backbone interact. energy: -3.388 local terms energy: -695.933220 where: bonds (distance) C4'-P energy: -128.549 bonds (distance) P-C4' energy: -126.374 flat angles C4'-P-C4' energy: -144.792 flat angles P-C4'-P energy: -87.311 tors. eta vs tors. theta energy: -208.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2052.697372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.697372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.697372 (E_RNA) where: Base-Base interactions energy: -1388.940 where: short stacking energy: -606.960 Base-Backbone interact. energy: -2.920 local terms energy: -660.837992 where: bonds (distance) C4'-P energy: -125.450 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -149.969 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -173.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1987.050320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.050320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.050320 (E_RNA) where: Base-Base interactions energy: -1379.583 where: short stacking energy: -601.087 Base-Backbone interact. energy: -3.364 local terms energy: -604.102456 where: bonds (distance) C4'-P energy: -110.957 bonds (distance) P-C4' energy: -106.958 flat angles C4'-P-C4' energy: -130.585 flat angles P-C4'-P energy: -89.812 tors. eta vs tors. theta energy: -165.791 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: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1976.720523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.720523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.720523 (E_RNA) where: Base-Base interactions energy: -1397.071 where: short stacking energy: -551.591 Base-Backbone interact. energy: 1.330 local terms energy: -580.978999 where: bonds (distance) C4'-P energy: -97.858 bonds (distance) P-C4' energy: -127.415 flat angles C4'-P-C4' energy: -117.542 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -163.273 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: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1803.200956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.200956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.200956 (E_RNA) where: Base-Base interactions energy: -1244.843 where: short stacking energy: -530.827 Base-Backbone interact. energy: 4.090 local terms energy: -562.448083 where: bonds (distance) C4'-P energy: -99.935 bonds (distance) P-C4' energy: -109.429 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -86.511 tors. eta vs tors. theta energy: -140.304 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: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1624.691433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.691433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.691433 (E_RNA) where: Base-Base interactions energy: -1063.293 where: short stacking energy: -491.112 Base-Backbone interact. energy: -0.614 local terms energy: -560.784574 where: bonds (distance) C4'-P energy: -103.178 bonds (distance) P-C4' energy: -111.271 flat angles C4'-P-C4' energy: -131.068 flat angles P-C4'-P energy: -77.222 tors. eta vs tors. theta energy: -138.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1437.189618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.189618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.189618 (E_RNA) where: Base-Base interactions energy: -904.587 where: short stacking energy: -415.608 Base-Backbone interact. energy: -2.239 local terms energy: -530.363383 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -107.343 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -81.100 tors. eta vs tors. theta energy: -109.989 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: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1212.951512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.951512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.951512 (E_RNA) where: Base-Base interactions energy: -731.856 where: short stacking energy: -344.209 Base-Backbone interact. energy: -4.274 local terms energy: -476.821359 where: bonds (distance) C4'-P energy: -97.002 bonds (distance) P-C4' energy: -128.163 flat angles C4'-P-C4' energy: -107.468 flat angles P-C4'-P energy: -80.784 tors. eta vs tors. theta energy: -63.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -652.892036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.892036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.892036 (E_RNA) where: Base-Base interactions energy: -295.877 where: short stacking energy: -196.785 Base-Backbone interact. energy: 3.158 local terms energy: -360.172910 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -96.588 flat angles P-C4'-P energy: -44.258 tors. eta vs tors. theta energy: -4.414 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -502.287848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.287848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.287848 (E_RNA) where: Base-Base interactions energy: -151.921 where: short stacking energy: -133.869 Base-Backbone interact. energy: 0.905 local terms energy: -351.271997 where: bonds (distance) C4'-P energy: -116.137 bonds (distance) P-C4' energy: -109.468 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -59.086 tors. eta vs tors. theta energy: 21.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2189.724967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.724967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.724967 (E_RNA) where: Base-Base interactions energy: -1479.848 where: short stacking energy: -648.391 Base-Backbone interact. energy: -2.654 local terms energy: -707.223486 where: bonds (distance) C4'-P energy: -126.381 bonds (distance) P-C4' energy: -126.008 flat angles C4'-P-C4' energy: -151.972 flat angles P-C4'-P energy: -104.810 tors. eta vs tors. theta energy: -198.052 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: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2056.850633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.850633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.850633 (E_RNA) where: Base-Base interactions energy: -1408.915 where: short stacking energy: -618.075 Base-Backbone interact. energy: 2.787 local terms energy: -650.722669 where: bonds (distance) C4'-P energy: -107.848 bonds (distance) P-C4' energy: -127.405 flat angles C4'-P-C4' energy: -138.237 flat angles P-C4'-P energy: -90.254 tors. eta vs tors. theta energy: -186.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2048.247895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.247895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.247895 (E_RNA) where: Base-Base interactions energy: -1422.699 where: short stacking energy: -587.950 Base-Backbone interact. energy: -4.456 local terms energy: -621.092766 where: bonds (distance) C4'-P energy: -112.933 bonds (distance) P-C4' energy: -114.958 flat angles C4'-P-C4' energy: -134.595 flat angles P-C4'-P energy: -85.418 tors. eta vs tors. theta energy: -173.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1962.607816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.607816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.607816 (E_RNA) where: Base-Base interactions energy: -1348.346 where: short stacking energy: -574.927 Base-Backbone interact. energy: -1.690 local terms energy: -612.572551 where: bonds (distance) C4'-P energy: -112.455 bonds (distance) P-C4' energy: -115.593 flat angles C4'-P-C4' energy: -134.607 flat angles P-C4'-P energy: -86.642 tors. eta vs tors. theta energy: -163.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1801.339308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.339308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.339308 (E_RNA) where: Base-Base interactions energy: -1223.717 where: short stacking energy: -516.373 Base-Backbone interact. energy: 1.590 local terms energy: -579.211859 where: bonds (distance) C4'-P energy: -112.763 bonds (distance) P-C4' energy: -121.057 flat angles C4'-P-C4' energy: -127.340 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -148.284 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: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1666.983874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.983874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.983874 (E_RNA) where: Base-Base interactions energy: -1102.263 where: short stacking energy: -492.989 Base-Backbone interact. energy: 0.626 local terms energy: -565.346209 where: bonds (distance) C4'-P energy: -92.806 bonds (distance) P-C4' energy: -120.482 flat angles C4'-P-C4' energy: -123.573 flat angles P-C4'-P energy: -82.358 tors. eta vs tors. theta energy: -146.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1478.034743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.034743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.034743 (E_RNA) where: Base-Base interactions energy: -956.755 where: short stacking energy: -433.697 Base-Backbone interact. energy: 0.973 local terms energy: -522.252598 where: bonds (distance) C4'-P energy: -103.089 bonds (distance) P-C4' energy: -118.518 flat angles C4'-P-C4' energy: -120.081 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -124.367 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: 286 Temperature: 1.250000 Total energy: -1082.302420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.302420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.302420 (E_RNA) where: Base-Base interactions energy: -694.521 where: short stacking energy: -310.400 Base-Backbone interact. energy: 0.220 local terms energy: -388.000948 where: bonds (distance) C4'-P energy: -96.600 bonds (distance) P-C4' energy: -108.887 flat angles C4'-P-C4' energy: -83.571 flat angles P-C4'-P energy: -60.280 tors. eta vs tors. theta energy: -38.663 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: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -645.271537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.271537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.271537 (E_RNA) where: Base-Base interactions energy: -270.003 where: short stacking energy: -176.092 Base-Backbone interact. energy: -0.017 local terms energy: -375.251904 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -121.633 flat angles C4'-P-C4' energy: -114.142 flat angles P-C4'-P energy: -47.684 tors. eta vs tors. theta energy: 19.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -508.402161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.402161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.402161 (E_RNA) where: Base-Base interactions energy: -181.413 where: short stacking energy: -128.168 Base-Backbone interact. energy: -0.248 local terms energy: -326.741059 where: bonds (distance) C4'-P energy: -110.554 bonds (distance) P-C4' energy: -99.519 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -43.558 tors. eta vs tors. theta energy: 18.433 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: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2187.895929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.895929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.895929 (E_RNA) where: Base-Base interactions energy: -1497.047 where: short stacking energy: -658.854 Base-Backbone interact. energy: -0.048 local terms energy: -690.800996 where: bonds (distance) C4'-P energy: -121.846 bonds (distance) P-C4' energy: -126.165 flat angles C4'-P-C4' energy: -140.339 flat angles P-C4'-P energy: -94.911 tors. eta vs tors. theta energy: -207.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2064.364989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.364989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.364989 (E_RNA) where: Base-Base interactions energy: -1395.605 where: short stacking energy: -585.789 Base-Backbone interact. energy: -0.039 local terms energy: -668.720407 where: bonds (distance) C4'-P energy: -125.195 bonds (distance) P-C4' energy: -130.104 flat angles C4'-P-C4' energy: -145.236 flat angles P-C4'-P energy: -88.611 tors. eta vs tors. theta energy: -179.574 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: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2021.405967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.405967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.405967 (E_RNA) where: Base-Base interactions energy: -1388.389 where: short stacking energy: -562.521 Base-Backbone interact. energy: -2.213 local terms energy: -630.804496 where: bonds (distance) C4'-P energy: -105.547 bonds (distance) P-C4' energy: -115.905 flat angles C4'-P-C4' energy: -137.378 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -171.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1908.160558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.160558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.160558 (E_RNA) where: Base-Base interactions energy: -1323.784 where: short stacking energy: -551.496 Base-Backbone interact. energy: -2.595 local terms energy: -581.781281 where: bonds (distance) C4'-P energy: -120.741 bonds (distance) P-C4' energy: -112.544 flat angles C4'-P-C4' energy: -113.165 flat angles P-C4'-P energy: -79.377 tors. eta vs tors. theta energy: -155.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1789.682631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.682631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.682631 (E_RNA) where: Base-Base interactions energy: -1217.549 where: short stacking energy: -528.223 Base-Backbone interact. energy: 1.083 local terms energy: -573.216764 where: bonds (distance) C4'-P energy: -115.941 bonds (distance) P-C4' energy: -123.815 flat angles C4'-P-C4' energy: -121.607 flat angles P-C4'-P energy: -68.377 tors. eta vs tors. theta energy: -143.477 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: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1681.505751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.505751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.505751 (E_RNA) where: Base-Base interactions energy: -1127.471 where: short stacking energy: -519.313 Base-Backbone interact. energy: -1.059 local terms energy: -552.975964 where: bonds (distance) C4'-P energy: -105.582 bonds (distance) P-C4' energy: -124.164 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -65.027 tors. eta vs tors. theta energy: -139.672 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: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1459.562709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.562709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.562709 (E_RNA) where: Base-Base interactions energy: -930.643 where: short stacking energy: -420.118 Base-Backbone interact. energy: -3.148 local terms energy: -525.771663 where: bonds (distance) C4'-P energy: -113.444 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -116.187 flat angles P-C4'-P energy: -65.609 tors. eta vs tors. theta energy: -116.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1026.408771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.408771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.408771 (E_RNA) where: Base-Base interactions energy: -619.732 where: short stacking energy: -311.543 Base-Backbone interact. energy: -3.404 local terms energy: -403.272136 where: bonds (distance) C4'-P energy: -99.887 bonds (distance) P-C4' energy: -104.593 flat angles C4'-P-C4' energy: -112.052 flat angles P-C4'-P energy: -56.631 tors. eta vs tors. theta energy: -30.109 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: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -662.750289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.750289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.750289 (E_RNA) where: Base-Base interactions energy: -333.217 where: short stacking energy: -211.470 Base-Backbone interact. energy: 4.055 local terms energy: -333.588127 where: bonds (distance) C4'-P energy: -77.723 bonds (distance) P-C4' energy: -107.318 flat angles C4'-P-C4' energy: -71.535 flat angles P-C4'-P energy: -61.523 tors. eta vs tors. theta energy: -15.489 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: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -504.665863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.665863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.665863 (E_RNA) where: Base-Base interactions energy: -172.325 where: short stacking energy: -140.019 Base-Backbone interact. energy: -2.041 local terms energy: -330.300768 where: bonds (distance) C4'-P energy: -101.681 bonds (distance) P-C4' energy: -106.962 flat angles C4'-P-C4' energy: -80.518 flat angles P-C4'-P energy: -64.169 tors. eta vs tors. theta energy: 23.030 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: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2203.156428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.156428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.156428 (E_RNA) where: Base-Base interactions energy: -1486.590 where: short stacking energy: -638.599 Base-Backbone interact. energy: -3.005 local terms energy: -713.561649 where: bonds (distance) C4'-P energy: -138.976 bonds (distance) P-C4' energy: -134.608 flat angles C4'-P-C4' energy: -141.738 flat angles P-C4'-P energy: -90.824 tors. eta vs tors. theta energy: -207.415 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: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2054.803767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.803767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.803767 (E_RNA) where: Base-Base interactions energy: -1429.679 where: short stacking energy: -605.619 Base-Backbone interact. energy: -4.825 local terms energy: -620.299569 where: bonds (distance) C4'-P energy: -116.982 bonds (distance) P-C4' energy: -97.265 flat angles C4'-P-C4' energy: -142.945 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: -176.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1971.160729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.160729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.160729 (E_RNA) where: Base-Base interactions energy: -1349.175 where: short stacking energy: -544.084 Base-Backbone interact. energy: -6.142 local terms energy: -615.844105 where: bonds (distance) C4'-P energy: -113.612 bonds (distance) P-C4' energy: -113.429 flat angles C4'-P-C4' energy: -133.591 flat angles P-C4'-P energy: -92.420 tors. eta vs tors. theta energy: -162.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1909.426631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.426631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.426631 (E_RNA) where: Base-Base interactions energy: -1285.600 where: short stacking energy: -553.242 Base-Backbone interact. energy: -2.235 local terms energy: -621.591197 where: bonds (distance) C4'-P energy: -119.443 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -133.606 flat angles P-C4'-P energy: -89.262 tors. eta vs tors. theta energy: -161.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1872.180956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.180956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.180956 (E_RNA) where: Base-Base interactions energy: -1283.932 where: short stacking energy: -512.297 Base-Backbone interact. energy: 0.182 local terms energy: -588.431266 where: bonds (distance) C4'-P energy: -108.178 bonds (distance) P-C4' energy: -112.907 flat angles C4'-P-C4' energy: -116.502 flat angles P-C4'-P energy: -85.669 tors. eta vs tors. theta energy: -165.175 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: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1633.285724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.285724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.285724 (E_RNA) where: Base-Base interactions energy: -1071.917 where: short stacking energy: -474.961 Base-Backbone interact. energy: -1.849 local terms energy: -559.519506 where: bonds (distance) C4'-P energy: -104.399 bonds (distance) P-C4' energy: -109.319 flat angles C4'-P-C4' energy: -129.660 flat angles P-C4'-P energy: -75.615 tors. eta vs tors. theta energy: -140.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1425.258783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.258783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.258783 (E_RNA) where: Base-Base interactions energy: -917.722 where: short stacking energy: -405.678 Base-Backbone interact. energy: -0.047 local terms energy: -507.490084 where: bonds (distance) C4'-P energy: -114.638 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -102.086 flat angles P-C4'-P energy: -73.818 tors. eta vs tors. theta energy: -102.783 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: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1075.941567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.941567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.941567 (E_RNA) where: Base-Base interactions energy: -652.653 where: short stacking energy: -312.049 Base-Backbone interact. energy: -1.228 local terms energy: -422.060423 where: bonds (distance) C4'-P energy: -107.690 bonds (distance) P-C4' energy: -121.076 flat angles C4'-P-C4' energy: -99.204 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -38.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -661.986149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.986149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.986149 (E_RNA) where: Base-Base interactions energy: -331.892 where: short stacking energy: -177.215 Base-Backbone interact. energy: 0.773 local terms energy: -330.867132 where: bonds (distance) C4'-P energy: -100.172 bonds (distance) P-C4' energy: -110.659 flat angles C4'-P-C4' energy: -86.902 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: 8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -520.896947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.896947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.896947 (E_RNA) where: Base-Base interactions energy: -180.509 where: short stacking energy: -131.926 Base-Backbone interact. energy: 7.530 local terms energy: -347.918048 where: bonds (distance) C4'-P energy: -112.229 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -71.329 tors. eta vs tors. theta energy: 22.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2170.496054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.496054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.496054 (E_RNA) where: Base-Base interactions energy: -1475.800 where: short stacking energy: -639.726 Base-Backbone interact. energy: -3.928 local terms energy: -690.768340 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -115.052 flat angles C4'-P-C4' energy: -147.374 flat angles P-C4'-P energy: -107.732 tors. eta vs tors. theta energy: -194.346 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: 289 Temperature: 0.950000 Total energy: -2061.905278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.905278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.905278 (E_RNA) where: Base-Base interactions energy: -1403.248 where: short stacking energy: -631.858 Base-Backbone interact. energy: -2.326 local terms energy: -656.332025 where: bonds (distance) C4'-P energy: -119.006 bonds (distance) P-C4' energy: -123.120 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -98.614 tors. eta vs tors. theta energy: -181.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1980.381086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.381086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.381086 (E_RNA) where: Base-Base interactions energy: -1348.060 where: short stacking energy: -567.312 Base-Backbone interact. energy: -2.313 local terms energy: -630.007622 where: bonds (distance) C4'-P energy: -124.375 bonds (distance) P-C4' energy: -106.860 flat angles C4'-P-C4' energy: -149.681 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -162.169 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: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1887.047892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.047892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.047892 (E_RNA) where: Base-Base interactions energy: -1281.009 where: short stacking energy: -564.948 Base-Backbone interact. energy: -3.068 local terms energy: -602.971594 where: bonds (distance) C4'-P energy: -115.747 bonds (distance) P-C4' energy: -119.351 flat angles C4'-P-C4' energy: -131.018 flat angles P-C4'-P energy: -77.437 tors. eta vs tors. theta energy: -159.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1906.681322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.681322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.681322 (E_RNA) where: Base-Base interactions energy: -1258.794 where: short stacking energy: -554.439 Base-Backbone interact. energy: -1.607 local terms energy: -646.280141 where: bonds (distance) C4'-P energy: -127.069 bonds (distance) P-C4' energy: -131.194 flat angles C4'-P-C4' energy: -134.947 flat angles P-C4'-P energy: -82.186 tors. eta vs tors. theta energy: -170.884 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: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1642.153435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.153435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.153435 (E_RNA) where: Base-Base interactions energy: -1088.874 where: short stacking energy: -467.976 Base-Backbone interact. energy: 2.303 local terms energy: -555.582404 where: bonds (distance) C4'-P energy: -115.709 bonds (distance) P-C4' energy: -116.694 flat angles C4'-P-C4' energy: -100.743 flat angles P-C4'-P energy: -91.685 tors. eta vs tors. theta energy: -130.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1432.905285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.905285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.905285 (E_RNA) where: Base-Base interactions energy: -936.571 where: short stacking energy: -423.644 Base-Backbone interact. energy: 1.899 local terms energy: -498.233163 where: bonds (distance) C4'-P energy: -115.007 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -108.159 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: -115.403 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: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1144.285392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.285392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.285392 (E_RNA) where: Base-Base interactions energy: -685.387 where: short stacking energy: -318.733 Base-Backbone interact. energy: 2.012 local terms energy: -460.910579 where: bonds (distance) C4'-P energy: -104.001 bonds (distance) P-C4' energy: -107.233 flat angles C4'-P-C4' energy: -103.129 flat angles P-C4'-P energy: -80.546 tors. eta vs tors. theta energy: -66.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -631.793834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.793834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.793834 (E_RNA) where: Base-Base interactions energy: -270.726 where: short stacking energy: -149.930 Base-Backbone interact. energy: 0.601 local terms energy: -361.668790 where: bonds (distance) C4'-P energy: -104.106 bonds (distance) P-C4' energy: -107.173 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -64.760 tors. eta vs tors. theta energy: 3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -494.977221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.977221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.977221 (E_RNA) where: Base-Base interactions energy: -165.068 where: short stacking energy: -125.346 Base-Backbone interact. energy: 0.488 local terms energy: -330.396838 where: bonds (distance) C4'-P energy: -97.496 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -99.740 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: 33.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2166.696003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.696003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.696003 (E_RNA) where: Base-Base interactions energy: -1512.036 where: short stacking energy: -638.954 Base-Backbone interact. energy: -2.409 local terms energy: -652.250852 where: bonds (distance) C4'-P energy: -125.960 bonds (distance) P-C4' energy: -111.330 flat angles C4'-P-C4' energy: -129.274 flat angles P-C4'-P energy: -95.073 tors. eta vs tors. theta energy: -190.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2061.885967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.885967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.885967 (E_RNA) where: Base-Base interactions energy: -1399.383 where: short stacking energy: -620.476 Base-Backbone interact. energy: -2.526 local terms energy: -659.976366 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -125.264 flat angles C4'-P-C4' energy: -144.667 flat angles P-C4'-P energy: -80.371 tors. eta vs tors. theta energy: -178.966 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: 290 Temperature: 1.000000 Total energy: -1931.593197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.593197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.593197 (E_RNA) where: Base-Base interactions energy: -1302.004 where: short stacking energy: -585.380 Base-Backbone interact. energy: -0.568 local terms energy: -629.021591 where: bonds (distance) C4'-P energy: -121.523 bonds (distance) P-C4' energy: -119.621 flat angles C4'-P-C4' energy: -136.883 flat angles P-C4'-P energy: -84.430 tors. eta vs tors. theta energy: -166.565 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: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1907.317017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.317017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.317017 (E_RNA) where: Base-Base interactions energy: -1324.027 where: short stacking energy: -551.058 Base-Backbone interact. energy: -2.004 local terms energy: -581.286667 where: bonds (distance) C4'-P energy: -95.546 bonds (distance) P-C4' energy: -116.077 flat angles C4'-P-C4' energy: -124.541 flat angles P-C4'-P energy: -83.488 tors. eta vs tors. theta energy: -161.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1874.649836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.649836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.649836 (E_RNA) where: Base-Base interactions energy: -1294.290 where: short stacking energy: -532.281 Base-Backbone interact. energy: -2.062 local terms energy: -578.297264 where: bonds (distance) C4'-P energy: -108.948 bonds (distance) P-C4' energy: -115.511 flat angles C4'-P-C4' energy: -121.487 flat angles P-C4'-P energy: -82.442 tors. eta vs tors. theta energy: -149.910 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: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1612.703055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.703055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.703055 (E_RNA) where: Base-Base interactions energy: -1090.424 where: short stacking energy: -498.472 Base-Backbone interact. energy: -1.080 local terms energy: -521.199587 where: bonds (distance) C4'-P energy: -90.583 bonds (distance) P-C4' energy: -111.365 flat angles C4'-P-C4' energy: -116.049 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -148.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1465.743948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.743948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.743948 (E_RNA) where: Base-Base interactions energy: -953.754 where: short stacking energy: -434.276 Base-Backbone interact. energy: -1.050 local terms energy: -510.940538 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -114.718 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -106.389 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: 8, replica: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1148.639762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.639762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.639762 (E_RNA) where: Base-Base interactions energy: -710.816 where: short stacking energy: -334.594 Base-Backbone interact. energy: 0.650 local terms energy: -438.473846 where: bonds (distance) C4'-P energy: -117.765 bonds (distance) P-C4' energy: -109.863 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -58.495 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: 9, replica: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -688.170409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.170409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.170409 (E_RNA) where: Base-Base interactions energy: -339.569 where: short stacking energy: -199.393 Base-Backbone interact. energy: 0.908 local terms energy: -349.509846 where: bonds (distance) C4'-P energy: -104.623 bonds (distance) P-C4' energy: -106.545 flat angles C4'-P-C4' energy: -81.204 flat angles P-C4'-P energy: -63.668 tors. eta vs tors. theta energy: 6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -497.638074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.638074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.638074 (E_RNA) where: Base-Base interactions energy: -191.441 where: short stacking energy: -161.946 Base-Backbone interact. energy: 0.114 local terms energy: -306.311281 where: bonds (distance) C4'-P energy: -99.120 bonds (distance) P-C4' energy: -107.868 flat angles C4'-P-C4' energy: -82.354 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: 26.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2184.846465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.846465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.846465 (E_RNA) where: Base-Base interactions energy: -1498.848 where: short stacking energy: -635.085 Base-Backbone interact. energy: -3.424 local terms energy: -682.575012 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -138.588 flat angles P-C4'-P energy: -98.470 tors. eta vs tors. theta energy: -183.099 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: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2058.359423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.359423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.359423 (E_RNA) where: Base-Base interactions energy: -1384.256 where: short stacking energy: -608.095 Base-Backbone interact. energy: -1.507 local terms energy: -672.596473 where: bonds (distance) C4'-P energy: -126.245 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -148.632 flat angles P-C4'-P energy: -92.695 tors. eta vs tors. theta energy: -173.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1946.244491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.244491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.244491 (E_RNA) where: Base-Base interactions energy: -1326.507 where: short stacking energy: -582.324 Base-Backbone interact. energy: -5.439 local terms energy: -614.298942 where: bonds (distance) C4'-P energy: -107.035 bonds (distance) P-C4' energy: -112.483 flat angles C4'-P-C4' energy: -139.636 flat angles P-C4'-P energy: -88.753 tors. eta vs tors. theta energy: -166.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1919.216065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.216065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.216065 (E_RNA) where: Base-Base interactions energy: -1334.638 where: short stacking energy: -584.158 Base-Backbone interact. energy: -4.216 local terms energy: -580.361710 where: bonds (distance) C4'-P energy: -96.197 bonds (distance) P-C4' energy: -105.286 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -89.110 tors. eta vs tors. theta energy: -152.724 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: 291 Temperature: 1.100000 Total energy: -1886.115002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.115002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.115002 (E_RNA) where: Base-Base interactions energy: -1307.501 where: short stacking energy: -520.672 Base-Backbone interact. energy: 1.199 local terms energy: -579.812356 where: bonds (distance) C4'-P energy: -120.862 bonds (distance) P-C4' energy: -93.718 flat angles C4'-P-C4' energy: -126.662 flat angles P-C4'-P energy: -86.555 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: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1642.669510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.669510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.669510 (E_RNA) where: Base-Base interactions energy: -1113.081 where: short stacking energy: -513.757 Base-Backbone interact. energy: -0.309 local terms energy: -529.279534 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -105.127 flat angles C4'-P-C4' energy: -108.781 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: -143.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1541.276449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.276449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.276449 (E_RNA) where: Base-Base interactions energy: -992.495 where: short stacking energy: -463.209 Base-Backbone interact. energy: -0.990 local terms energy: -547.790947 where: bonds (distance) C4'-P energy: -108.665 bonds (distance) P-C4' energy: -122.340 flat angles C4'-P-C4' energy: -111.792 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: -128.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1124.154857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.154857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.154857 (E_RNA) where: Base-Base interactions energy: -689.696 where: short stacking energy: -310.425 Base-Backbone interact. energy: -0.541 local terms energy: -433.916915 where: bonds (distance) C4'-P energy: -102.783 bonds (distance) P-C4' energy: -114.984 flat angles C4'-P-C4' energy: -105.960 flat angles P-C4'-P energy: -59.931 tors. eta vs tors. theta energy: -50.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -718.411458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.411458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.411458 (E_RNA) where: Base-Base interactions energy: -368.326 where: short stacking energy: -217.626 Base-Backbone interact. energy: -2.489 local terms energy: -347.597069 where: bonds (distance) C4'-P energy: -94.658 bonds (distance) P-C4' energy: -105.187 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -67.146 tors. eta vs tors. theta energy: -4.535 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: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -497.205010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.205010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.205010 (E_RNA) where: Base-Base interactions energy: -180.767 where: short stacking energy: -154.429 Base-Backbone interact. energy: 2.243 local terms energy: -318.681802 where: bonds (distance) C4'-P energy: -100.494 bonds (distance) P-C4' energy: -95.275 flat angles C4'-P-C4' energy: -96.378 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: 26.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2173.329283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.329283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.329283 (E_RNA) where: Base-Base interactions energy: -1520.921 where: short stacking energy: -641.971 Base-Backbone interact. energy: -0.745 local terms energy: -651.663164 where: bonds (distance) C4'-P energy: -112.266 bonds (distance) P-C4' energy: -123.553 flat angles C4'-P-C4' energy: -136.902 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -184.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2049.686482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.686482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.686482 (E_RNA) where: Base-Base interactions energy: -1407.216 where: short stacking energy: -601.916 Base-Backbone interact. energy: -1.441 local terms energy: -641.029753 where: bonds (distance) C4'-P energy: -125.094 bonds (distance) P-C4' energy: -113.202 flat angles C4'-P-C4' energy: -139.196 flat angles P-C4'-P energy: -90.488 tors. eta vs tors. theta energy: -173.050 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: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2006.260926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.260926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.260926 (E_RNA) where: Base-Base interactions energy: -1347.246 where: short stacking energy: -600.999 Base-Backbone interact. energy: -5.821 local terms energy: -653.194434 where: bonds (distance) C4'-P energy: -129.600 bonds (distance) P-C4' energy: -120.511 flat angles C4'-P-C4' energy: -149.014 flat angles P-C4'-P energy: -92.010 tors. eta vs tors. theta energy: -162.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1887.898593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.898593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.898593 (E_RNA) where: Base-Base interactions energy: -1287.815 where: short stacking energy: -549.815 Base-Backbone interact. energy: -0.153 local terms energy: -599.931334 where: bonds (distance) C4'-P energy: -119.075 bonds (distance) P-C4' energy: -112.992 flat angles C4'-P-C4' energy: -130.097 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -156.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1880.344245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.344245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.344245 (E_RNA) where: Base-Base interactions energy: -1283.733 where: short stacking energy: -537.845 Base-Backbone interact. energy: -3.141 local terms energy: -593.470464 where: bonds (distance) C4'-P energy: -104.824 bonds (distance) P-C4' energy: -112.809 flat angles C4'-P-C4' energy: -121.886 flat angles P-C4'-P energy: -87.366 tors. eta vs tors. theta energy: -166.586 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: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1692.235983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.235983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.235983 (E_RNA) where: Base-Base interactions energy: -1118.582 where: short stacking energy: -504.185 Base-Backbone interact. energy: -1.773 local terms energy: -571.881025 where: bonds (distance) C4'-P energy: -102.816 bonds (distance) P-C4' energy: -125.985 flat angles C4'-P-C4' energy: -117.108 flat angles P-C4'-P energy: -74.629 tors. eta vs tors. theta energy: -151.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1467.767770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.767770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.767770 (E_RNA) where: Base-Base interactions energy: -974.025 where: short stacking energy: -465.260 Base-Backbone interact. energy: -3.241 local terms energy: -490.501583 where: bonds (distance) C4'-P energy: -95.883 bonds (distance) P-C4' energy: -111.913 flat angles C4'-P-C4' energy: -109.865 flat angles P-C4'-P energy: -77.743 tors. eta vs tors. theta energy: -95.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1122.089571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.089571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.089571 (E_RNA) where: Base-Base interactions energy: -678.122 where: short stacking energy: -304.239 Base-Backbone interact. energy: 2.370 local terms energy: -446.337472 where: bonds (distance) C4'-P energy: -99.698 bonds (distance) P-C4' energy: -118.943 flat angles C4'-P-C4' energy: -107.361 flat angles P-C4'-P energy: -65.404 tors. eta vs tors. theta energy: -54.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -685.849732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.849732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.849732 (E_RNA) where: Base-Base interactions energy: -300.099 where: short stacking energy: -175.797 Base-Backbone interact. energy: -1.787 local terms energy: -383.963428 where: bonds (distance) C4'-P energy: -106.932 bonds (distance) P-C4' energy: -103.744 flat angles C4'-P-C4' energy: -109.931 flat angles P-C4'-P energy: -73.123 tors. eta vs tors. theta energy: 9.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -506.412933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.412933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.412933 (E_RNA) where: Base-Base interactions energy: -183.665 where: short stacking energy: -155.101 Base-Backbone interact. energy: -2.170 local terms energy: -320.577448 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -113.063 flat angles C4'-P-C4' energy: -88.928 flat angles P-C4'-P energy: -48.176 tors. eta vs tors. theta energy: 15.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2186.168296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.168296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.168296 (E_RNA) where: Base-Base interactions energy: -1516.035 where: short stacking energy: -634.552 Base-Backbone interact. energy: 0.959 local terms energy: -671.093102 where: bonds (distance) C4'-P energy: -112.010 bonds (distance) P-C4' energy: -128.153 flat angles C4'-P-C4' energy: -133.309 flat angles P-C4'-P energy: -99.877 tors. eta vs tors. theta energy: -197.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2061.097049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.097049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.097049 (E_RNA) where: Base-Base interactions energy: -1399.805 where: short stacking energy: -601.755 Base-Backbone interact. energy: 3.053 local terms energy: -664.345263 where: bonds (distance) C4'-P energy: -126.226 bonds (distance) P-C4' energy: -132.872 flat angles C4'-P-C4' energy: -140.257 flat angles P-C4'-P energy: -93.255 tors. eta vs tors. theta energy: -171.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1961.430708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.430708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.430708 (E_RNA) where: Base-Base interactions energy: -1292.276 where: short stacking energy: -585.840 Base-Backbone interact. energy: -6.126 local terms energy: -663.028953 where: bonds (distance) C4'-P energy: -111.386 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -135.409 flat angles P-C4'-P energy: -101.583 tors. eta vs tors. theta energy: -176.395 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: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1904.168620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.168620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.168620 (E_RNA) where: Base-Base interactions energy: -1307.691 where: short stacking energy: -541.790 Base-Backbone interact. energy: -2.503 local terms energy: -593.974545 where: bonds (distance) C4'-P energy: -109.291 bonds (distance) P-C4' energy: -108.516 flat angles C4'-P-C4' energy: -128.271 flat angles P-C4'-P energy: -93.474 tors. eta vs tors. theta energy: -154.422 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: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1831.330519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.330519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.330519 (E_RNA) where: Base-Base interactions energy: -1255.634 where: short stacking energy: -531.311 Base-Backbone interact. energy: -1.636 local terms energy: -574.059781 where: bonds (distance) C4'-P energy: -103.899 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -133.983 flat angles P-C4'-P energy: -89.560 tors. eta vs tors. theta energy: -138.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1665.607029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.607029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.607029 (E_RNA) where: Base-Base interactions energy: -1087.823 where: short stacking energy: -492.000 Base-Backbone interact. energy: -0.523 local terms energy: -577.261328 where: bonds (distance) C4'-P energy: -113.387 bonds (distance) P-C4' energy: -117.692 flat angles C4'-P-C4' energy: -130.402 flat angles P-C4'-P energy: -78.370 tors. eta vs tors. theta energy: -137.411 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: 293 Temperature: 1.200000 Total energy: -1425.724863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.724863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.724863 (E_RNA) where: Base-Base interactions energy: -932.546 where: short stacking energy: -405.214 Base-Backbone interact. energy: -0.189 local terms energy: -492.989115 where: bonds (distance) C4'-P energy: -114.617 bonds (distance) P-C4' energy: -92.457 flat angles C4'-P-C4' energy: -114.501 flat angles P-C4'-P energy: -76.995 tors. eta vs tors. theta energy: -94.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1151.127823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.127823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.127823 (E_RNA) where: Base-Base interactions energy: -687.097 where: short stacking energy: -337.845 Base-Backbone interact. energy: -0.772 local terms energy: -463.258566 where: bonds (distance) C4'-P energy: -105.553 bonds (distance) P-C4' energy: -117.770 flat angles C4'-P-C4' energy: -111.053 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -61.958 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: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -708.302035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.302035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.302035 (E_RNA) where: Base-Base interactions energy: -325.522 where: short stacking energy: -212.225 Base-Backbone interact. energy: -0.818 local terms energy: -381.962085 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -111.500 flat angles C4'-P-C4' energy: -99.709 flat angles P-C4'-P energy: -53.586 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -521.995062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.995062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.995062 (E_RNA) where: Base-Base interactions energy: -190.829 where: short stacking energy: -142.175 Base-Backbone interact. energy: 2.319 local terms energy: -333.484351 where: bonds (distance) C4'-P energy: -88.469 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -95.016 flat angles P-C4'-P energy: -69.072 tors. eta vs tors. theta energy: 36.091 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: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2170.421158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.421158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.421158 (E_RNA) where: Base-Base interactions energy: -1501.499 where: short stacking energy: -648.279 Base-Backbone interact. energy: -2.702 local terms energy: -666.219917 where: bonds (distance) C4'-P energy: -121.836 bonds (distance) P-C4' energy: -117.291 flat angles C4'-P-C4' energy: -138.956 flat angles P-C4'-P energy: -86.187 tors. eta vs tors. theta energy: -201.949 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2055.464093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.464093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.464093 (E_RNA) where: Base-Base interactions energy: -1419.861 where: short stacking energy: -642.407 Base-Backbone interact. energy: -1.631 local terms energy: -633.971948 where: bonds (distance) C4'-P energy: -111.725 bonds (distance) P-C4' energy: -124.165 flat angles C4'-P-C4' energy: -148.742 flat angles P-C4'-P energy: -73.303 tors. eta vs tors. theta energy: -176.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1969.237433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.237433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.237433 (E_RNA) where: Base-Base interactions energy: -1354.782 where: short stacking energy: -539.475 Base-Backbone interact. energy: -5.265 local terms energy: -609.190590 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -112.717 flat angles C4'-P-C4' energy: -130.230 flat angles P-C4'-P energy: -85.538 tors. eta vs tors. theta energy: -170.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1902.174021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.174021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.174021 (E_RNA) where: Base-Base interactions energy: -1296.793 where: short stacking energy: -571.328 Base-Backbone interact. energy: -0.302 local terms energy: -605.079486 where: bonds (distance) C4'-P energy: -112.313 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -123.909 flat angles P-C4'-P energy: -85.894 tors. eta vs tors. theta energy: -164.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1871.103289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.103289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.103289 (E_RNA) where: Base-Base interactions energy: -1268.194 where: short stacking energy: -543.640 Base-Backbone interact. energy: -2.154 local terms energy: -600.754783 where: bonds (distance) C4'-P energy: -107.713 bonds (distance) P-C4' energy: -121.486 flat angles C4'-P-C4' energy: -127.531 flat angles P-C4'-P energy: -87.384 tors. eta vs tors. theta energy: -156.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1686.650629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.650629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.650629 (E_RNA) where: Base-Base interactions energy: -1097.746 where: short stacking energy: -488.702 Base-Backbone interact. energy: -1.762 local terms energy: -587.142669 where: bonds (distance) C4'-P energy: -117.682 bonds (distance) P-C4' energy: -120.775 flat angles C4'-P-C4' energy: -121.265 flat angles P-C4'-P energy: -89.350 tors. eta vs tors. theta energy: -138.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1487.459704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.459704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.459704 (E_RNA) where: Base-Base interactions energy: -953.735 where: short stacking energy: -451.294 Base-Backbone interact. energy: -3.027 local terms energy: -530.697962 where: bonds (distance) C4'-P energy: -100.223 bonds (distance) P-C4' energy: -122.327 flat angles C4'-P-C4' energy: -119.089 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -123.133 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: 294 Temperature: 1.250000 Total energy: -1114.749293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.749293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.749293 (E_RNA) where: Base-Base interactions energy: -670.387 where: short stacking energy: -333.786 Base-Backbone interact. energy: 0.447 local terms energy: -444.809016 where: bonds (distance) C4'-P energy: -94.721 bonds (distance) P-C4' energy: -119.039 flat angles C4'-P-C4' energy: -103.742 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -53.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -631.326816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.326816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.326816 (E_RNA) where: Base-Base interactions energy: -275.126 where: short stacking energy: -182.730 Base-Backbone interact. energy: -2.224 local terms energy: -353.977243 where: bonds (distance) C4'-P energy: -91.328 bonds (distance) P-C4' energy: -115.173 flat angles C4'-P-C4' energy: -106.391 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: 26.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -534.700112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.700112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.700112 (E_RNA) where: Base-Base interactions energy: -208.455 where: short stacking energy: -167.349 Base-Backbone interact. energy: 4.643 local terms energy: -330.887542 where: bonds (distance) C4'-P energy: -87.445 bonds (distance) P-C4' energy: -120.113 flat angles C4'-P-C4' energy: -87.601 flat angles P-C4'-P energy: -52.597 tors. eta vs tors. theta energy: 16.868 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: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2153.609704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.609704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.609704 (E_RNA) where: Base-Base interactions energy: -1456.449 where: short stacking energy: -652.600 Base-Backbone interact. energy: -3.491 local terms energy: -693.669782 where: bonds (distance) C4'-P energy: -119.075 bonds (distance) P-C4' energy: -122.192 flat angles C4'-P-C4' energy: -152.808 flat angles P-C4'-P energy: -96.359 tors. eta vs tors. theta energy: -203.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2022.949401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.949401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.949401 (E_RNA) where: Base-Base interactions energy: -1375.587 where: short stacking energy: -615.937 Base-Backbone interact. energy: 0.936 local terms energy: -648.298527 where: bonds (distance) C4'-P energy: -113.335 bonds (distance) P-C4' energy: -118.040 flat angles C4'-P-C4' energy: -140.642 flat angles P-C4'-P energy: -103.244 tors. eta vs tors. theta energy: -173.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2007.897657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.897657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.897657 (E_RNA) where: Base-Base interactions energy: -1382.529 where: short stacking energy: -577.662 Base-Backbone interact. energy: -8.551 local terms energy: -616.818133 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -110.219 flat angles C4'-P-C4' energy: -134.641 flat angles P-C4'-P energy: -87.253 tors. eta vs tors. theta energy: -174.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1900.901632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.901632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.901632 (E_RNA) where: Base-Base interactions energy: -1308.795 where: short stacking energy: -554.117 Base-Backbone interact. energy: 0.130 local terms energy: -592.236163 where: bonds (distance) C4'-P energy: -97.250 bonds (distance) P-C4' energy: -119.775 flat angles C4'-P-C4' energy: -135.105 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -152.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1855.520496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.520496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.520496 (E_RNA) where: Base-Base interactions energy: -1264.867 where: short stacking energy: -533.103 Base-Backbone interact. energy: -1.888 local terms energy: -588.765872 where: bonds (distance) C4'-P energy: -114.534 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -139.695 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -141.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1598.840397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.840397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.840397 (E_RNA) where: Base-Base interactions energy: -1044.085 where: short stacking energy: -472.827 Base-Backbone interact. energy: -2.982 local terms energy: -551.773519 where: bonds (distance) C4'-P energy: -99.692 bonds (distance) P-C4' energy: -117.516 flat angles C4'-P-C4' energy: -118.697 flat angles P-C4'-P energy: -89.394 tors. eta vs tors. theta energy: -126.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1505.288291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.288291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.288291 (E_RNA) where: Base-Base interactions energy: -989.160 where: short stacking energy: -428.358 Base-Backbone interact. energy: -0.460 local terms energy: -515.667925 where: bonds (distance) C4'-P energy: -102.597 bonds (distance) P-C4' energy: -121.662 flat angles C4'-P-C4' energy: -120.346 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: -101.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1075.443794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.443794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.443794 (E_RNA) where: Base-Base interactions energy: -658.510 where: short stacking energy: -283.245 Base-Backbone interact. energy: 0.014 local terms energy: -416.947106 where: bonds (distance) C4'-P energy: -113.814 bonds (distance) P-C4' energy: -118.995 flat angles C4'-P-C4' energy: -92.680 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -19.750 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: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -669.329810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.329810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.329810 (E_RNA) where: Base-Base interactions energy: -341.897 where: short stacking energy: -197.341 Base-Backbone interact. energy: -0.440 local terms energy: -326.992354 where: bonds (distance) C4'-P energy: -95.735 bonds (distance) P-C4' energy: -98.694 flat angles C4'-P-C4' energy: -90.047 flat angles P-C4'-P energy: -53.162 tors. eta vs tors. theta energy: 10.644 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: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -541.478773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.478773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.478773 (E_RNA) where: Base-Base interactions energy: -223.135 where: short stacking energy: -145.676 Base-Backbone interact. energy: 1.323 local terms energy: -319.666691 where: bonds (distance) C4'-P energy: -102.298 bonds (distance) P-C4' energy: -114.209 flat angles C4'-P-C4' energy: -70.360 flat angles P-C4'-P energy: -61.642 tors. eta vs tors. theta energy: 28.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2178.919976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.919976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.919976 (E_RNA) where: Base-Base interactions energy: -1480.750 where: short stacking energy: -631.823 Base-Backbone interact. energy: -3.548 local terms energy: -694.621821 where: bonds (distance) C4'-P energy: -121.419 bonds (distance) P-C4' energy: -133.347 flat angles C4'-P-C4' energy: -138.515 flat angles P-C4'-P energy: -98.192 tors. eta vs tors. theta energy: -203.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2050.498054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.498054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.498054 (E_RNA) where: Base-Base interactions energy: -1389.898 where: short stacking energy: -607.011 Base-Backbone interact. energy: -0.593 local terms energy: -660.006563 where: bonds (distance) C4'-P energy: -123.603 bonds (distance) P-C4' energy: -124.567 flat angles C4'-P-C4' energy: -141.977 flat angles P-C4'-P energy: -96.409 tors. eta vs tors. theta energy: -173.450 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: 296 Temperature: 1.000000 Total energy: -1993.458235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.458235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.458235 (E_RNA) where: Base-Base interactions energy: -1350.273 where: short stacking energy: -578.670 Base-Backbone interact. energy: -2.881 local terms energy: -640.304701 where: bonds (distance) C4'-P energy: -120.681 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -130.814 flat angles P-C4'-P energy: -96.901 tors. eta vs tors. theta energy: -170.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1945.386884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.386884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.386884 (E_RNA) where: Base-Base interactions energy: -1321.507 where: short stacking energy: -559.236 Base-Backbone interact. energy: -2.934 local terms energy: -620.946388 where: bonds (distance) C4'-P energy: -118.127 bonds (distance) P-C4' energy: -125.466 flat angles C4'-P-C4' energy: -140.832 flat angles P-C4'-P energy: -82.599 tors. eta vs tors. theta energy: -153.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1864.122261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.122261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.122261 (E_RNA) where: Base-Base interactions energy: -1281.577 where: short stacking energy: -552.175 Base-Backbone interact. energy: -0.339 local terms energy: -582.206283 where: bonds (distance) C4'-P energy: -100.985 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -132.939 flat angles P-C4'-P energy: -73.672 tors. eta vs tors. theta energy: -157.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1578.107770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.107770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.107770 (E_RNA) where: Base-Base interactions energy: -1035.039 where: short stacking energy: -508.154 Base-Backbone interact. energy: -0.072 local terms energy: -542.996187 where: bonds (distance) C4'-P energy: -104.152 bonds (distance) P-C4' energy: -98.520 flat angles C4'-P-C4' energy: -126.770 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -142.012 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: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1508.533951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.533951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.533951 (E_RNA) where: Base-Base interactions energy: -979.377 where: short stacking energy: -438.411 Base-Backbone interact. energy: -2.925 local terms energy: -526.231849 where: bonds (distance) C4'-P energy: -100.883 bonds (distance) P-C4' energy: -103.205 flat angles C4'-P-C4' energy: -122.126 flat angles P-C4'-P energy: -84.699 tors. eta vs tors. theta energy: -115.320 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: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1152.594347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.594347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.594347 (E_RNA) where: Base-Base interactions energy: -694.714 where: short stacking energy: -309.650 Base-Backbone interact. energy: 0.376 local terms energy: -458.256184 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -128.040 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -77.696 tors. eta vs tors. theta energy: -48.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -663.704911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.704911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.704911 (E_RNA) where: Base-Base interactions energy: -341.868 where: short stacking energy: -187.842 Base-Backbone interact. energy: 6.617 local terms energy: -328.454268 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -109.411 flat angles C4'-P-C4' energy: -81.512 flat angles P-C4'-P energy: -56.124 tors. eta vs tors. theta energy: 8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -482.062761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.062761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.062761 (E_RNA) where: Base-Base interactions energy: -156.675 where: short stacking energy: -136.707 Base-Backbone interact. energy: 0.185 local terms energy: -325.572542 where: bonds (distance) C4'-P energy: -109.567 bonds (distance) P-C4' energy: -109.251 flat angles C4'-P-C4' energy: -81.109 flat angles P-C4'-P energy: -51.720 tors. eta vs tors. theta energy: 26.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2157.090593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.090593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.090593 (E_RNA) where: Base-Base interactions energy: -1471.857 where: short stacking energy: -646.848 Base-Backbone interact. energy: -1.302 local terms energy: -683.931234 where: bonds (distance) C4'-P energy: -131.830 bonds (distance) P-C4' energy: -123.764 flat angles C4'-P-C4' energy: -141.666 flat angles P-C4'-P energy: -85.162 tors. eta vs tors. theta energy: -201.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2052.215444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.215444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.215444 (E_RNA) where: Base-Base interactions energy: -1374.854 where: short stacking energy: -611.276 Base-Backbone interact. energy: -2.866 local terms energy: -674.495043 where: bonds (distance) C4'-P energy: -132.160 bonds (distance) P-C4' energy: -117.269 flat angles C4'-P-C4' energy: -146.388 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -170.347 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: 297 Temperature: 1.000000 Total energy: -1976.725431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.725431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.725431 (E_RNA) where: Base-Base interactions energy: -1363.252 where: short stacking energy: -574.207 Base-Backbone interact. energy: -4.568 local terms energy: -608.904580 where: bonds (distance) C4'-P energy: -115.266 bonds (distance) P-C4' energy: -114.816 flat angles C4'-P-C4' energy: -125.219 flat angles P-C4'-P energy: -92.745 tors. eta vs tors. theta energy: -160.858 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: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1930.248107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.248107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.248107 (E_RNA) where: Base-Base interactions energy: -1329.900 where: short stacking energy: -558.946 Base-Backbone interact. energy: -2.593 local terms energy: -597.755130 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -115.094 flat angles C4'-P-C4' energy: -135.911 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -153.533 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: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1809.568390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.568390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.568390 (E_RNA) where: Base-Base interactions energy: -1189.443 where: short stacking energy: -529.919 Base-Backbone interact. energy: -1.784 local terms energy: -618.340979 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -127.907 flat angles C4'-P-C4' energy: -123.503 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -160.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1559.222263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.222263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.222263 (E_RNA) where: Base-Base interactions energy: -1013.516 where: short stacking energy: -440.162 Base-Backbone interact. energy: -2.166 local terms energy: -543.540429 where: bonds (distance) C4'-P energy: -128.143 bonds (distance) P-C4' energy: -110.564 flat angles C4'-P-C4' energy: -109.081 flat angles P-C4'-P energy: -77.966 tors. eta vs tors. theta energy: -117.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1455.495497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.495497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.495497 (E_RNA) where: Base-Base interactions energy: -962.200 where: short stacking energy: -441.232 Base-Backbone interact. energy: -1.078 local terms energy: -492.217181 where: bonds (distance) C4'-P energy: -98.508 bonds (distance) P-C4' energy: -98.600 flat angles C4'-P-C4' energy: -123.251 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -111.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1029.769451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.769451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.769451 (E_RNA) where: Base-Base interactions energy: -647.373 where: short stacking energy: -297.277 Base-Backbone interact. energy: 0.791 local terms energy: -383.187469 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -99.417 flat angles C4'-P-C4' energy: -108.129 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -14.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -779.909362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.909362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.909362 (E_RNA) where: Base-Base interactions energy: -413.224 where: short stacking energy: -228.873 Base-Backbone interact. energy: 5.373 local terms energy: -372.057956 where: bonds (distance) C4'-P energy: -114.221 bonds (distance) P-C4' energy: -96.402 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -58.940 tors. eta vs tors. theta energy: -14.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -563.614333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.614333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.614333 (E_RNA) where: Base-Base interactions energy: -212.530 where: short stacking energy: -159.438 Base-Backbone interact. energy: 3.669 local terms energy: -354.753796 where: bonds (distance) C4'-P energy: -97.342 bonds (distance) P-C4' energy: -100.501 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -57.153 tors. eta vs tors. theta energy: 1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2185.271653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.271653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.271653 (E_RNA) where: Base-Base interactions energy: -1500.510 where: short stacking energy: -634.371 Base-Backbone interact. energy: 1.998 local terms energy: -686.758765 where: bonds (distance) C4'-P energy: -122.425 bonds (distance) P-C4' energy: -120.183 flat angles C4'-P-C4' energy: -150.680 flat angles P-C4'-P energy: -104.526 tors. eta vs tors. theta energy: -188.944 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: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2031.788408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.788408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.788408 (E_RNA) where: Base-Base interactions energy: -1381.862 where: short stacking energy: -622.348 Base-Backbone interact. energy: -1.339 local terms energy: -648.587493 where: bonds (distance) C4'-P energy: -113.673 bonds (distance) P-C4' energy: -133.013 flat angles C4'-P-C4' energy: -137.535 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -178.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1991.232973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.232973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.232973 (E_RNA) where: Base-Base interactions energy: -1365.060 where: short stacking energy: -581.937 Base-Backbone interact. energy: -6.450 local terms energy: -619.722911 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -112.999 flat angles C4'-P-C4' energy: -123.225 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -175.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1920.138098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.138098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.138098 (E_RNA) where: Base-Base interactions energy: -1312.354 where: short stacking energy: -551.723 Base-Backbone interact. energy: -3.518 local terms energy: -604.266443 where: bonds (distance) C4'-P energy: -108.222 bonds (distance) P-C4' energy: -119.956 flat angles C4'-P-C4' energy: -133.644 flat angles P-C4'-P energy: -78.379 tors. eta vs tors. theta energy: -164.065 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: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1827.482208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.482208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.482208 (E_RNA) where: Base-Base interactions energy: -1252.350 where: short stacking energy: -543.345 Base-Backbone interact. energy: -3.925 local terms energy: -571.206759 where: bonds (distance) C4'-P energy: -113.680 bonds (distance) P-C4' energy: -104.745 flat angles C4'-P-C4' energy: -124.930 flat angles P-C4'-P energy: -74.667 tors. eta vs tors. theta energy: -153.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1588.035838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.035838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.035838 (E_RNA) where: Base-Base interactions energy: -1020.496 where: short stacking energy: -463.601 Base-Backbone interact. energy: -0.963 local terms energy: -566.577335 where: bonds (distance) C4'-P energy: -101.791 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -128.976 flat angles P-C4'-P energy: -85.213 tors. eta vs tors. theta energy: -133.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1410.409552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.409552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.409552 (E_RNA) where: Base-Base interactions energy: -916.510 where: short stacking energy: -400.040 Base-Backbone interact. energy: 3.190 local terms energy: -497.088866 where: bonds (distance) C4'-P energy: -98.266 bonds (distance) P-C4' energy: -112.512 flat angles C4'-P-C4' energy: -107.959 flat angles P-C4'-P energy: -77.581 tors. eta vs tors. theta energy: -100.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1100.357800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.357800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.357800 (E_RNA) where: Base-Base interactions energy: -674.135 where: short stacking energy: -305.570 Base-Backbone interact. energy: -0.257 local terms energy: -425.965956 where: bonds (distance) C4'-P energy: -113.172 bonds (distance) P-C4' energy: -96.620 flat angles C4'-P-C4' energy: -99.457 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -52.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -777.592192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.592192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.592192 (E_RNA) where: Base-Base interactions energy: -425.606 where: short stacking energy: -238.478 Base-Backbone interact. energy: -0.229 local terms energy: -351.757183 where: bonds (distance) C4'-P energy: -102.939 bonds (distance) P-C4' energy: -103.006 flat angles C4'-P-C4' energy: -84.357 flat angles P-C4'-P energy: -49.900 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -534.910341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.910341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.910341 (E_RNA) where: Base-Base interactions energy: -248.953 where: short stacking energy: -136.235 Base-Backbone interact. energy: 2.498 local terms energy: -288.456193 where: bonds (distance) C4'-P energy: -77.576 bonds (distance) P-C4' energy: -102.565 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -29.977 tors. eta vs tors. theta energy: 28.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2193.989450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.989450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.989450 (E_RNA) where: Base-Base interactions energy: -1507.766 where: short stacking energy: -643.316 Base-Backbone interact. energy: -2.222 local terms energy: -684.001774 where: bonds (distance) C4'-P energy: -134.074 bonds (distance) P-C4' energy: -135.298 flat angles C4'-P-C4' energy: -127.262 flat angles P-C4'-P energy: -97.665 tors. eta vs tors. theta energy: -189.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2027.869347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.869347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.869347 (E_RNA) where: Base-Base interactions energy: -1381.015 where: short stacking energy: -584.614 Base-Backbone interact. energy: -3.823 local terms energy: -643.031680 where: bonds (distance) C4'-P energy: -137.346 bonds (distance) P-C4' energy: -114.326 flat angles C4'-P-C4' energy: -139.989 flat angles P-C4'-P energy: -90.892 tors. eta vs tors. theta energy: -160.478 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: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1994.649284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.649284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.649284 (E_RNA) where: Base-Base interactions energy: -1350.206 where: short stacking energy: -597.393 Base-Backbone interact. energy: -4.022 local terms energy: -640.421134 where: bonds (distance) C4'-P energy: -117.180 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -138.795 flat angles P-C4'-P energy: -83.741 tors. eta vs tors. theta energy: -169.219 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: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1919.837202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.837202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.837202 (E_RNA) where: Base-Base interactions energy: -1301.288 where: short stacking energy: -563.683 Base-Backbone interact. energy: -1.578 local terms energy: -616.970353 where: bonds (distance) C4'-P energy: -116.759 bonds (distance) P-C4' energy: -124.223 flat angles C4'-P-C4' energy: -128.496 flat angles P-C4'-P energy: -78.635 tors. eta vs tors. theta energy: -168.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1888.006793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.006793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.006793 (E_RNA) where: Base-Base interactions energy: -1309.359 where: short stacking energy: -561.645 Base-Backbone interact. energy: -5.112 local terms energy: -573.535724 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -115.811 flat angles C4'-P-C4' energy: -123.528 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -165.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1602.416235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.416235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.416235 (E_RNA) where: Base-Base interactions energy: -1046.345 where: short stacking energy: -472.673 Base-Backbone interact. energy: -1.069 local terms energy: -555.002274 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -127.970 flat angles C4'-P-C4' energy: -130.664 flat angles P-C4'-P energy: -70.236 tors. eta vs tors. theta energy: -131.096 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1346.454169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.454169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.454169 (E_RNA) where: Base-Base interactions energy: -865.879 where: short stacking energy: -414.237 Base-Backbone interact. energy: 1.149 local terms energy: -481.724115 where: bonds (distance) C4'-P energy: -88.485 bonds (distance) P-C4' energy: -108.062 flat angles C4'-P-C4' energy: -117.478 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: -99.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1049.531897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.531897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.531897 (E_RNA) where: Base-Base interactions energy: -639.144 where: short stacking energy: -296.485 Base-Backbone interact. energy: -1.492 local terms energy: -408.895487 where: bonds (distance) C4'-P energy: -82.360 bonds (distance) P-C4' energy: -114.821 flat angles C4'-P-C4' energy: -96.632 flat angles P-C4'-P energy: -63.853 tors. eta vs tors. theta energy: -51.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -730.304240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.304240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.304240 (E_RNA) where: Base-Base interactions energy: -331.911 where: short stacking energy: -199.353 Base-Backbone interact. energy: 3.020 local terms energy: -401.412487 where: bonds (distance) C4'-P energy: -124.693 bonds (distance) P-C4' energy: -107.534 flat angles C4'-P-C4' energy: -98.367 flat angles P-C4'-P energy: -58.077 tors. eta vs tors. theta energy: -12.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -507.013988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.013988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.013988 (E_RNA) where: Base-Base interactions energy: -157.554 where: short stacking energy: -130.537 Base-Backbone interact. energy: 0.832 local terms energy: -350.292176 where: bonds (distance) C4'-P energy: -108.089 bonds (distance) P-C4' energy: -110.686 flat angles C4'-P-C4' energy: -92.398 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: 11.333 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: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2188.091570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.091570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.091570 (E_RNA) where: Base-Base interactions energy: -1515.887 where: short stacking energy: -631.415 Base-Backbone interact. energy: -2.561 local terms energy: -669.643634 where: bonds (distance) C4'-P energy: -133.211 bonds (distance) P-C4' energy: -116.748 flat angles C4'-P-C4' energy: -139.956 flat angles P-C4'-P energy: -86.363 tors. eta vs tors. theta energy: -193.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2041.992601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.992601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.992601 (E_RNA) where: Base-Base interactions energy: -1377.520 where: short stacking energy: -599.300 Base-Backbone interact. energy: -2.693 local terms energy: -661.778976 where: bonds (distance) C4'-P energy: -127.411 bonds (distance) P-C4' energy: -136.549 flat angles C4'-P-C4' energy: -138.758 flat angles P-C4'-P energy: -91.395 tors. eta vs tors. theta energy: -167.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2020.866315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.866315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.866315 (E_RNA) where: Base-Base interactions energy: -1382.824 where: short stacking energy: -578.460 Base-Backbone interact. energy: -2.444 local terms energy: -635.599063 where: bonds (distance) C4'-P energy: -115.352 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -134.717 flat angles P-C4'-P energy: -77.083 tors. eta vs tors. theta energy: -173.693 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: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1920.741229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.741229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.741229 (E_RNA) where: Base-Base interactions energy: -1285.146 where: short stacking energy: -568.615 Base-Backbone interact. energy: -3.127 local terms energy: -632.467851 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -112.992 flat angles C4'-P-C4' energy: -131.289 flat angles P-C4'-P energy: -95.776 tors. eta vs tors. theta energy: -167.774 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: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1844.246961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.246961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.246961 (E_RNA) where: Base-Base interactions energy: -1272.423 where: short stacking energy: -535.980 Base-Backbone interact. energy: 5.155 local terms energy: -576.979520 where: bonds (distance) C4'-P energy: -109.237 bonds (distance) P-C4' energy: -99.992 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -154.477 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1542.072907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.072907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.072907 (E_RNA) where: Base-Base interactions energy: -1031.511 where: short stacking energy: -444.454 Base-Backbone interact. energy: 3.307 local terms energy: -513.868900 where: bonds (distance) C4'-P energy: -110.325 bonds (distance) P-C4' energy: -83.168 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -72.280 tors. eta vs tors. theta energy: -120.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1306.474257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.474257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.474257 (E_RNA) where: Base-Base interactions energy: -825.095 where: short stacking energy: -404.104 Base-Backbone interact. energy: -1.985 local terms energy: -479.393687 where: bonds (distance) C4'-P energy: -95.043 bonds (distance) P-C4' energy: -108.642 flat angles C4'-P-C4' energy: -113.358 flat angles P-C4'-P energy: -69.885 tors. eta vs tors. theta energy: -92.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1065.302663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.302663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.302663 (E_RNA) where: Base-Base interactions energy: -621.606 where: short stacking energy: -300.232 Base-Backbone interact. energy: -1.234 local terms energy: -442.462760 where: bonds (distance) C4'-P energy: -109.495 bonds (distance) P-C4' energy: -113.056 flat angles C4'-P-C4' energy: -106.038 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -37.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -742.383668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.383668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.383668 (E_RNA) where: Base-Base interactions energy: -346.539 where: short stacking energy: -205.859 Base-Backbone interact. energy: 0.650 local terms energy: -396.495134 where: bonds (distance) C4'-P energy: -99.100 bonds (distance) P-C4' energy: -120.669 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -71.491 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -489.650287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.650287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.650287 (E_RNA) where: Base-Base interactions energy: -162.556 where: short stacking energy: -153.889 Base-Backbone interact. energy: -0.045 local terms energy: -327.049824 where: bonds (distance) C4'-P energy: -84.741 bonds (distance) P-C4' energy: -122.545 flat angles C4'-P-C4' energy: -65.285 flat angles P-C4'-P energy: -61.202 tors. eta vs tors. theta energy: 6.724 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: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2182.907620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.907620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.907620 (E_RNA) where: Base-Base interactions energy: -1497.265 where: short stacking energy: -659.382 Base-Backbone interact. energy: -3.521 local terms energy: -682.120770 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -139.912 flat angles P-C4'-P energy: -99.226 tors. eta vs tors. theta energy: -194.676 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: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2031.328258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.328258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.328258 (E_RNA) where: Base-Base interactions energy: -1371.703 where: short stacking energy: -613.579 Base-Backbone interact. energy: -0.663 local terms energy: -658.961627 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -125.895 flat angles C4'-P-C4' energy: -141.274 flat angles P-C4'-P energy: -88.443 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: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1983.466616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.466616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.466616 (E_RNA) where: Base-Base interactions energy: -1368.765 where: short stacking energy: -586.948 Base-Backbone interact. energy: -1.138 local terms energy: -613.563734 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -107.299 flat angles C4'-P-C4' energy: -140.801 flat angles P-C4'-P energy: -82.422 tors. eta vs tors. theta energy: -164.046 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: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1952.797189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.797189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.797189 (E_RNA) where: Base-Base interactions energy: -1295.174 where: short stacking energy: -579.770 Base-Backbone interact. energy: -2.666 local terms energy: -654.956559 where: bonds (distance) C4'-P energy: -118.573 bonds (distance) P-C4' energy: -120.168 flat angles C4'-P-C4' energy: -134.446 flat angles P-C4'-P energy: -99.699 tors. eta vs tors. theta energy: -182.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1849.918807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.918807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.918807 (E_RNA) where: Base-Base interactions energy: -1264.158 where: short stacking energy: -558.763 Base-Backbone interact. energy: -4.432 local terms energy: -581.328871 where: bonds (distance) C4'-P energy: -99.988 bonds (distance) P-C4' energy: -119.786 flat angles C4'-P-C4' energy: -125.633 flat angles P-C4'-P energy: -86.272 tors. eta vs tors. theta energy: -149.649 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: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1517.002253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.002253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.002253 (E_RNA) where: Base-Base interactions energy: -1001.014 where: short stacking energy: -437.796 Base-Backbone interact. energy: -3.573 local terms energy: -512.415617 where: bonds (distance) C4'-P energy: -85.823 bonds (distance) P-C4' energy: -109.255 flat angles C4'-P-C4' energy: -129.018 flat angles P-C4'-P energy: -79.421 tors. eta vs tors. theta energy: -108.898 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: 301 Temperature: 1.200000 Total energy: -1314.270497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.270497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.270497 (E_RNA) where: Base-Base interactions energy: -816.407 where: short stacking energy: -358.953 Base-Backbone interact. energy: 2.522 local terms energy: -500.385503 where: bonds (distance) C4'-P energy: -120.989 bonds (distance) P-C4' energy: -123.437 flat angles C4'-P-C4' energy: -120.069 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -72.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1107.443018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.443018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.443018 (E_RNA) where: Base-Base interactions energy: -663.913 where: short stacking energy: -331.798 Base-Backbone interact. energy: 5.891 local terms energy: -449.420976 where: bonds (distance) C4'-P energy: -115.684 bonds (distance) P-C4' energy: -119.785 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -81.964 tors. eta vs tors. theta energy: -41.636 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: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -734.650193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.650193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.650193 (E_RNA) where: Base-Base interactions energy: -333.690 where: short stacking energy: -202.908 Base-Backbone interact. energy: 2.328 local terms energy: -403.287949 where: bonds (distance) C4'-P energy: -103.426 bonds (distance) P-C4' energy: -110.957 flat angles C4'-P-C4' energy: -99.751 flat angles P-C4'-P energy: -73.403 tors. eta vs tors. theta energy: -15.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -541.285369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.285369 (E_RNA) where: Base-Base interactions energy: -196.375 where: short stacking energy: -157.819 Base-Backbone interact. energy: -0.893 local terms energy: -344.016894 where: bonds (distance) C4'-P energy: -90.237 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -86.505 flat angles P-C4'-P energy: -44.493 tors. eta vs tors. theta energy: -3.387 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: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2201.529998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.529998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.529998 (E_RNA) where: Base-Base interactions energy: -1523.009 where: short stacking energy: -658.594 Base-Backbone interact. energy: -3.294 local terms energy: -675.226917 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -129.564 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -87.497 tors. eta vs tors. theta energy: -204.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2043.582518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.582518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.582518 (E_RNA) where: Base-Base interactions energy: -1377.093 where: short stacking energy: -617.493 Base-Backbone interact. energy: -1.878 local terms energy: -664.611724 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -133.547 flat angles C4'-P-C4' energy: -144.990 flat angles P-C4'-P energy: -91.576 tors. eta vs tors. theta energy: -177.175 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: 302 Temperature: 1.000000 Total energy: -2008.212077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.212077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.212077 (E_RNA) where: Base-Base interactions energy: -1363.077 where: short stacking energy: -563.097 Base-Backbone interact. energy: -6.255 local terms energy: -638.879582 where: bonds (distance) C4'-P energy: -115.404 bonds (distance) P-C4' energy: -129.163 flat angles C4'-P-C4' energy: -134.546 flat angles P-C4'-P energy: -89.342 tors. eta vs tors. theta energy: -170.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1934.038289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.038289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.038289 (E_RNA) where: Base-Base interactions energy: -1319.171 where: short stacking energy: -563.377 Base-Backbone interact. energy: -4.472 local terms energy: -610.396099 where: bonds (distance) C4'-P energy: -110.125 bonds (distance) P-C4' energy: -121.857 flat angles C4'-P-C4' energy: -134.034 flat angles P-C4'-P energy: -87.450 tors. eta vs tors. theta energy: -156.930 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: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1827.376409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.376409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.376409 (E_RNA) where: Base-Base interactions energy: -1240.541 where: short stacking energy: -528.741 Base-Backbone interact. energy: -5.397 local terms energy: -581.438702 where: bonds (distance) C4'-P energy: -107.955 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -126.197 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -162.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1525.419197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.419197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.419197 (E_RNA) where: Base-Base interactions energy: -1022.692 where: short stacking energy: -455.483 Base-Backbone interact. energy: -1.086 local terms energy: -501.640998 where: bonds (distance) C4'-P energy: -94.924 bonds (distance) P-C4' energy: -89.206 flat angles C4'-P-C4' energy: -117.126 flat angles P-C4'-P energy: -91.395 tors. eta vs tors. theta energy: -108.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1337.862043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.862043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.862043 (E_RNA) where: Base-Base interactions energy: -885.761 where: short stacking energy: -403.872 Base-Backbone interact. energy: -2.618 local terms energy: -449.482633 where: bonds (distance) C4'-P energy: -90.760 bonds (distance) P-C4' energy: -107.864 flat angles C4'-P-C4' energy: -93.578 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: -82.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1060.139558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.139558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.139558 (E_RNA) where: Base-Base interactions energy: -660.169 where: short stacking energy: -333.253 Base-Backbone interact. energy: 4.260 local terms energy: -404.230371 where: bonds (distance) C4'-P energy: -81.147 bonds (distance) P-C4' energy: -108.171 flat angles C4'-P-C4' energy: -99.539 flat angles P-C4'-P energy: -57.273 tors. eta vs tors. theta energy: -58.102 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: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -711.118948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.118948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.118948 (E_RNA) where: Base-Base interactions energy: -359.727 where: short stacking energy: -182.085 Base-Backbone interact. energy: -2.119 local terms energy: -349.272815 where: bonds (distance) C4'-P energy: -90.081 bonds (distance) P-C4' energy: -102.834 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -73.091 tors. eta vs tors. theta energy: 12.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -512.055309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.055309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.055309 (E_RNA) where: Base-Base interactions energy: -164.128 where: short stacking energy: -132.472 Base-Backbone interact. energy: 0.213 local terms energy: -348.141086 where: bonds (distance) C4'-P energy: -99.855 bonds (distance) P-C4' energy: -107.393 flat angles C4'-P-C4' energy: -95.981 flat angles P-C4'-P energy: -62.574 tors. eta vs tors. theta energy: 17.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2228.785172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.785172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.785172 (E_RNA) where: Base-Base interactions energy: -1537.237 where: short stacking energy: -646.024 Base-Backbone interact. energy: -0.529 local terms energy: -691.019724 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -131.831 flat angles C4'-P-C4' energy: -152.125 flat angles P-C4'-P energy: -89.365 tors. eta vs tors. theta energy: -200.006 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: 303 Temperature: 0.950000 Total energy: -2062.173023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.173023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.173023 (E_RNA) where: Base-Base interactions energy: -1403.522 where: short stacking energy: -638.049 Base-Backbone interact. energy: -1.117 local terms energy: -657.534289 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -120.316 flat angles C4'-P-C4' energy: -142.962 flat angles P-C4'-P energy: -89.544 tors. eta vs tors. theta energy: -186.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2049.694971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.694971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.694971 (E_RNA) where: Base-Base interactions energy: -1425.123 where: short stacking energy: -609.531 Base-Backbone interact. energy: -1.099 local terms energy: -623.472678 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -112.475 flat angles C4'-P-C4' energy: -130.538 flat angles P-C4'-P energy: -91.139 tors. eta vs tors. theta energy: -180.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1926.253260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.253260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.253260 (E_RNA) where: Base-Base interactions energy: -1304.025 where: short stacking energy: -552.363 Base-Backbone interact. energy: -3.062 local terms energy: -619.166414 where: bonds (distance) C4'-P energy: -121.971 bonds (distance) P-C4' energy: -125.071 flat angles C4'-P-C4' energy: -137.377 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -151.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1836.869557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.869557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.869557 (E_RNA) where: Base-Base interactions energy: -1252.335 where: short stacking energy: -536.035 Base-Backbone interact. energy: -1.046 local terms energy: -583.488649 where: bonds (distance) C4'-P energy: -120.900 bonds (distance) P-C4' energy: -98.690 flat angles C4'-P-C4' energy: -127.946 flat angles P-C4'-P energy: -80.185 tors. eta vs tors. theta energy: -155.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1581.511368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.511368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.511368 (E_RNA) where: Base-Base interactions energy: -1021.207 where: short stacking energy: -440.773 Base-Backbone interact. energy: -1.554 local terms energy: -558.750644 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -114.772 flat angles P-C4'-P energy: -89.335 tors. eta vs tors. theta energy: -123.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1403.203905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.203905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.203905 (E_RNA) where: Base-Base interactions energy: -899.655 where: short stacking energy: -414.142 Base-Backbone interact. energy: -2.250 local terms energy: -501.298926 where: bonds (distance) C4'-P energy: -108.467 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -111.787 flat angles P-C4'-P energy: -81.022 tors. eta vs tors. theta energy: -89.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1093.543156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.543156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.543156 (E_RNA) where: Base-Base interactions energy: -672.814 where: short stacking energy: -309.959 Base-Backbone interact. energy: 1.945 local terms energy: -422.674439 where: bonds (distance) C4'-P energy: -90.356 bonds (distance) P-C4' energy: -115.441 flat angles C4'-P-C4' energy: -112.244 flat angles P-C4'-P energy: -56.109 tors. eta vs tors. theta energy: -48.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -682.000105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.000105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.000105 (E_RNA) where: Base-Base interactions energy: -342.114 where: short stacking energy: -198.655 Base-Backbone interact. energy: 1.366 local terms energy: -341.251898 where: bonds (distance) C4'-P energy: -91.981 bonds (distance) P-C4' energy: -96.852 flat angles C4'-P-C4' energy: -99.081 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -495.173356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.173356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.173356 (E_RNA) where: Base-Base interactions energy: -183.450 where: short stacking energy: -141.847 Base-Backbone interact. energy: -1.098 local terms energy: -310.625094 where: bonds (distance) C4'-P energy: -92.778 bonds (distance) P-C4' energy: -103.552 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -50.265 tors. eta vs tors. theta energy: 15.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2203.719752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.719752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.719752 (E_RNA) where: Base-Base interactions energy: -1511.523 where: short stacking energy: -653.210 Base-Backbone interact. energy: -4.046 local terms energy: -688.150107 where: bonds (distance) C4'-P energy: -122.731 bonds (distance) P-C4' energy: -126.884 flat angles C4'-P-C4' energy: -143.368 flat angles P-C4'-P energy: -89.319 tors. eta vs tors. theta energy: -205.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2028.551784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.551784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.551784 (E_RNA) where: Base-Base interactions energy: -1350.932 where: short stacking energy: -614.381 Base-Backbone interact. energy: -1.107 local terms energy: -676.512232 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -135.643 flat angles C4'-P-C4' energy: -135.425 flat angles P-C4'-P energy: -98.557 tors. eta vs tors. theta energy: -178.537 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: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2018.344371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.344371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.344371 (E_RNA) where: Base-Base interactions energy: -1372.368 where: short stacking energy: -590.595 Base-Backbone interact. energy: -3.347 local terms energy: -642.629199 where: bonds (distance) C4'-P energy: -122.758 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -84.856 tors. eta vs tors. theta energy: -174.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1940.678989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.678989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.678989 (E_RNA) where: Base-Base interactions energy: -1305.169 where: short stacking energy: -545.568 Base-Backbone interact. energy: 0.305 local terms energy: -635.814948 where: bonds (distance) C4'-P energy: -116.123 bonds (distance) P-C4' energy: -120.917 flat angles C4'-P-C4' energy: -133.951 flat angles P-C4'-P energy: -98.607 tors. eta vs tors. theta energy: -166.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1807.206999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.206999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.206999 (E_RNA) where: Base-Base interactions energy: -1204.828 where: short stacking energy: -530.405 Base-Backbone interact. energy: -1.075 local terms energy: -601.304422 where: bonds (distance) C4'-P energy: -115.293 bonds (distance) P-C4' energy: -112.902 flat angles C4'-P-C4' energy: -134.437 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -143.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1545.366831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.366831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.366831 (E_RNA) where: Base-Base interactions energy: -1047.101 where: short stacking energy: -458.807 Base-Backbone interact. energy: 0.514 local terms energy: -498.779800 where: bonds (distance) C4'-P energy: -97.828 bonds (distance) P-C4' energy: -101.827 flat angles C4'-P-C4' energy: -117.277 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -116.772 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: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1398.253792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.253792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.253792 (E_RNA) where: Base-Base interactions energy: -878.804 where: short stacking energy: -399.624 Base-Backbone interact. energy: 1.539 local terms energy: -520.988875 where: bonds (distance) C4'-P energy: -111.510 bonds (distance) P-C4' energy: -113.505 flat angles C4'-P-C4' energy: -113.532 flat angles P-C4'-P energy: -90.537 tors. eta vs tors. theta energy: -91.905 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: 304 Temperature: 1.250000 Total energy: -1097.156198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.156198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.156198 (E_RNA) where: Base-Base interactions energy: -676.106 where: short stacking energy: -307.472 Base-Backbone interact. energy: 2.359 local terms energy: -423.409117 where: bonds (distance) C4'-P energy: -109.886 bonds (distance) P-C4' energy: -116.897 flat angles C4'-P-C4' energy: -92.355 flat angles P-C4'-P energy: -59.516 tors. eta vs tors. theta energy: -44.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -684.161264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.161264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.161264 (E_RNA) where: Base-Base interactions energy: -308.434 where: short stacking energy: -185.072 Base-Backbone interact. energy: 0.940 local terms energy: -376.666583 where: bonds (distance) C4'-P energy: -82.762 bonds (distance) P-C4' energy: -125.262 flat angles C4'-P-C4' energy: -105.708 flat angles P-C4'-P energy: -54.581 tors. eta vs tors. theta energy: -8.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -475.346039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.346039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.346039 (E_RNA) where: Base-Base interactions energy: -161.768 where: short stacking energy: -117.183 Base-Backbone interact. energy: -0.377 local terms energy: -313.200159 where: bonds (distance) C4'-P energy: -102.028 bonds (distance) P-C4' energy: -106.167 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -54.290 tors. eta vs tors. theta energy: 26.387 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: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2190.347441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.347441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.347441 (E_RNA) where: Base-Base interactions energy: -1508.622 where: short stacking energy: -649.646 Base-Backbone interact. energy: -2.791 local terms energy: -678.934404 where: bonds (distance) C4'-P energy: -125.095 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -136.336 flat angles P-C4'-P energy: -88.452 tors. eta vs tors. theta energy: -196.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2018.261007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.261007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.261007 (E_RNA) where: Base-Base interactions energy: -1396.485 where: short stacking energy: -610.262 Base-Backbone interact. energy: 6.135 local terms energy: -627.911853 where: bonds (distance) C4'-P energy: -114.115 bonds (distance) P-C4' energy: -122.416 flat angles C4'-P-C4' energy: -131.355 flat angles P-C4'-P energy: -88.347 tors. eta vs tors. theta energy: -171.680 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: 3, replica: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2021.526153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.526153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.526153 (E_RNA) where: Base-Base interactions energy: -1379.700 where: short stacking energy: -604.318 Base-Backbone interact. energy: 0.269 local terms energy: -642.094666 where: bonds (distance) C4'-P energy: -109.649 bonds (distance) P-C4' energy: -134.539 flat angles C4'-P-C4' energy: -130.221 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -166.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1944.497347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.497347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.497347 (E_RNA) where: Base-Base interactions energy: -1306.339 where: short stacking energy: -587.248 Base-Backbone interact. energy: -5.989 local terms energy: -632.169308 where: bonds (distance) C4'-P energy: -121.588 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -126.919 flat angles P-C4'-P energy: -89.019 tors. eta vs tors. theta energy: -176.263 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: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1812.184314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.184314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.184314 (E_RNA) where: Base-Base interactions energy: -1228.431 where: short stacking energy: -532.085 Base-Backbone interact. energy: -0.951 local terms energy: -582.801748 where: bonds (distance) C4'-P energy: -111.441 bonds (distance) P-C4' energy: -113.095 flat angles C4'-P-C4' energy: -121.558 flat angles P-C4'-P energy: -85.078 tors. eta vs tors. theta energy: -151.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1577.407762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.407762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.407762 (E_RNA) where: Base-Base interactions energy: -1094.339 where: short stacking energy: -469.808 Base-Backbone interact. energy: -2.029 local terms energy: -481.040615 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -107.689 flat angles P-C4'-P energy: -59.285 tors. eta vs tors. theta energy: -106.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1322.031857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.031857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.031857 (E_RNA) where: Base-Base interactions energy: -843.189 where: short stacking energy: -400.367 Base-Backbone interact. energy: -1.215 local terms energy: -477.627911 where: bonds (distance) C4'-P energy: -115.541 bonds (distance) P-C4' energy: -95.548 flat angles C4'-P-C4' energy: -123.719 flat angles P-C4'-P energy: -65.536 tors. eta vs tors. theta energy: -77.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1074.427069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.427069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.427069 (E_RNA) where: Base-Base interactions energy: -658.409 where: short stacking energy: -313.059 Base-Backbone interact. energy: -3.273 local terms energy: -412.744969 where: bonds (distance) C4'-P energy: -117.172 bonds (distance) P-C4' energy: -90.681 flat angles C4'-P-C4' energy: -102.139 flat angles P-C4'-P energy: -54.709 tors. eta vs tors. theta energy: -48.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -659.909412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.909412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.909412 (E_RNA) where: Base-Base interactions energy: -317.576 where: short stacking energy: -185.732 Base-Backbone interact. energy: 8.287 local terms energy: -350.620495 where: bonds (distance) C4'-P energy: -92.420 bonds (distance) P-C4' energy: -91.329 flat angles C4'-P-C4' energy: -123.027 flat angles P-C4'-P energy: -48.665 tors. eta vs tors. theta energy: 4.820 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: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -490.226779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.226779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.226779 (E_RNA) where: Base-Base interactions energy: -135.565 where: short stacking energy: -118.575 Base-Backbone interact. energy: -0.163 local terms energy: -354.499325 where: bonds (distance) C4'-P energy: -114.693 bonds (distance) P-C4' energy: -113.558 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -52.147 tors. eta vs tors. theta energy: 18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2224.598440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.598440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.598440 (E_RNA) where: Base-Base interactions energy: -1532.190 where: short stacking energy: -650.013 Base-Backbone interact. energy: -0.049 local terms energy: -692.359543 where: bonds (distance) C4'-P energy: -135.309 bonds (distance) P-C4' energy: -135.940 flat angles C4'-P-C4' energy: -140.880 flat angles P-C4'-P energy: -83.763 tors. eta vs tors. theta energy: -196.467 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: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2043.425446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.425446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.425446 (E_RNA) where: Base-Base interactions energy: -1381.818 where: short stacking energy: -585.440 Base-Backbone interact. energy: 0.044 local terms energy: -661.651710 where: bonds (distance) C4'-P energy: -134.508 bonds (distance) P-C4' energy: -128.095 flat angles C4'-P-C4' energy: -132.917 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -170.231 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: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2023.399655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.399655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.399655 (E_RNA) where: Base-Base interactions energy: -1402.313 where: short stacking energy: -594.713 Base-Backbone interact. energy: -3.434 local terms energy: -617.652805 where: bonds (distance) C4'-P energy: -105.907 bonds (distance) P-C4' energy: -113.076 flat angles C4'-P-C4' energy: -143.344 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -177.795 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: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1939.080965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.080965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.080965 (E_RNA) where: Base-Base interactions energy: -1326.975 where: short stacking energy: -585.000 Base-Backbone interact. energy: -1.515 local terms energy: -610.591250 where: bonds (distance) C4'-P energy: -103.102 bonds (distance) P-C4' energy: -114.876 flat angles C4'-P-C4' energy: -136.188 flat angles P-C4'-P energy: -89.463 tors. eta vs tors. theta energy: -166.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1818.800507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.800507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.800507 (E_RNA) where: Base-Base interactions energy: -1261.429 where: short stacking energy: -543.101 Base-Backbone interact. energy: -0.248 local terms energy: -557.123675 where: bonds (distance) C4'-P energy: -101.029 bonds (distance) P-C4' energy: -116.065 flat angles C4'-P-C4' energy: -123.625 flat angles P-C4'-P energy: -73.901 tors. eta vs tors. theta energy: -142.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1560.421542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.421542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.421542 (E_RNA) where: Base-Base interactions energy: -1023.817 where: short stacking energy: -466.721 Base-Backbone interact. energy: -2.222 local terms energy: -534.382955 where: bonds (distance) C4'-P energy: -111.316 bonds (distance) P-C4' energy: -116.046 flat angles C4'-P-C4' energy: -116.964 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: -121.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1378.218940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.218940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.218940 (E_RNA) where: Base-Base interactions energy: -898.710 where: short stacking energy: -397.241 Base-Backbone interact. energy: -0.846 local terms energy: -478.662944 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -101.072 flat angles C4'-P-C4' energy: -122.540 flat angles P-C4'-P energy: -73.362 tors. eta vs tors. theta energy: -91.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1089.822628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.822628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.822628 (E_RNA) where: Base-Base interactions energy: -641.155 where: short stacking energy: -308.417 Base-Backbone interact. energy: 2.958 local terms energy: -451.625088 where: bonds (distance) C4'-P energy: -105.742 bonds (distance) P-C4' energy: -118.331 flat angles C4'-P-C4' energy: -110.209 flat angles P-C4'-P energy: -69.566 tors. eta vs tors. theta energy: -47.777 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: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -675.674024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.674024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.674024 (E_RNA) where: Base-Base interactions energy: -317.032 where: short stacking energy: -198.175 Base-Backbone interact. energy: 3.998 local terms energy: -362.640311 where: bonds (distance) C4'-P energy: -98.774 bonds (distance) P-C4' energy: -107.633 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -61.831 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -471.087667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.087667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.087667 (E_RNA) where: Base-Base interactions energy: -161.786 where: short stacking energy: -147.142 Base-Backbone interact. energy: -0.989 local terms energy: -308.312626 where: bonds (distance) C4'-P energy: -107.333 bonds (distance) P-C4' energy: -99.540 flat angles C4'-P-C4' energy: -108.953 flat angles P-C4'-P energy: -24.676 tors. eta vs tors. theta energy: 32.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2227.613766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.613766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.613766 (E_RNA) where: Base-Base interactions energy: -1567.873 where: short stacking energy: -650.436 Base-Backbone interact. energy: 0.150 local terms energy: -659.890171 where: bonds (distance) C4'-P energy: -114.902 bonds (distance) P-C4' energy: -121.184 flat angles C4'-P-C4' energy: -145.794 flat angles P-C4'-P energy: -92.124 tors. eta vs tors. theta energy: -185.887 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: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2057.828891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.828891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.828891 (E_RNA) where: Base-Base interactions energy: -1394.399 where: short stacking energy: -601.409 Base-Backbone interact. energy: -0.691 local terms energy: -662.738734 where: bonds (distance) C4'-P energy: -123.485 bonds (distance) P-C4' energy: -139.034 flat angles C4'-P-C4' energy: -146.123 flat angles P-C4'-P energy: -80.473 tors. eta vs tors. theta energy: -173.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2011.743565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.743565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.743565 (E_RNA) where: Base-Base interactions energy: -1401.416 where: short stacking energy: -586.597 Base-Backbone interact. energy: -5.152 local terms energy: -605.175357 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -114.932 flat angles C4'-P-C4' energy: -129.589 flat angles P-C4'-P energy: -79.103 tors. eta vs tors. theta energy: -161.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1955.504721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.504721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.504721 (E_RNA) where: Base-Base interactions energy: -1361.298 where: short stacking energy: -604.998 Base-Backbone interact. energy: -1.947 local terms energy: -592.259994 where: bonds (distance) C4'-P energy: -113.208 bonds (distance) P-C4' energy: -100.941 flat angles C4'-P-C4' energy: -123.947 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -168.774 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: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1834.738963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.738963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.738963 (E_RNA) where: Base-Base interactions energy: -1255.326 where: short stacking energy: -543.776 Base-Backbone interact. energy: -0.982 local terms energy: -578.431287 where: bonds (distance) C4'-P energy: -110.463 bonds (distance) P-C4' energy: -116.136 flat angles C4'-P-C4' energy: -125.902 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -151.361 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: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1600.715650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.715650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.715650 (E_RNA) where: Base-Base interactions energy: -1062.242 where: short stacking energy: -478.735 Base-Backbone interact. energy: 5.698 local terms energy: -544.171666 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -104.935 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -74.922 tors. eta vs tors. theta energy: -133.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1381.190772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.190772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.190772 (E_RNA) where: Base-Base interactions energy: -897.041 where: short stacking energy: -412.234 Base-Backbone interact. energy: 1.240 local terms energy: -485.390270 where: bonds (distance) C4'-P energy: -97.695 bonds (distance) P-C4' energy: -114.481 flat angles C4'-P-C4' energy: -120.022 flat angles P-C4'-P energy: -57.534 tors. eta vs tors. theta energy: -95.659 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: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1061.716042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.716042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.716042 (E_RNA) where: Base-Base interactions energy: -630.295 where: short stacking energy: -299.292 Base-Backbone interact. energy: -2.356 local terms energy: -429.065155 where: bonds (distance) C4'-P energy: -97.974 bonds (distance) P-C4' energy: -116.830 flat angles C4'-P-C4' energy: -115.542 flat angles P-C4'-P energy: -64.937 tors. eta vs tors. theta energy: -33.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -647.459459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.459459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.459459 (E_RNA) where: Base-Base interactions energy: -280.548 where: short stacking energy: -175.509 Base-Backbone interact. energy: 1.785 local terms energy: -368.696322 where: bonds (distance) C4'-P energy: -108.820 bonds (distance) P-C4' energy: -125.929 flat angles C4'-P-C4' energy: -86.414 flat angles P-C4'-P energy: -60.517 tors. eta vs tors. theta energy: 12.984 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: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -501.950564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.950564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.950564 (E_RNA) where: Base-Base interactions energy: -159.109 where: short stacking energy: -145.782 Base-Backbone interact. energy: 2.554 local terms energy: -345.395832 where: bonds (distance) C4'-P energy: -96.945 bonds (distance) P-C4' energy: -121.721 flat angles C4'-P-C4' energy: -85.070 flat angles P-C4'-P energy: -54.500 tors. eta vs tors. theta energy: 12.841 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: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2224.066750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.066750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.066750 (E_RNA) where: Base-Base interactions energy: -1536.400 where: short stacking energy: -662.996 Base-Backbone interact. energy: -2.280 local terms energy: -685.386718 where: bonds (distance) C4'-P energy: -129.106 bonds (distance) P-C4' energy: -118.096 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -97.528 tors. eta vs tors. theta energy: -194.143 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: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2042.650951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.650951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.650951 (E_RNA) where: Base-Base interactions energy: -1392.785 where: short stacking energy: -616.956 Base-Backbone interact. energy: -1.705 local terms energy: -648.161379 where: bonds (distance) C4'-P energy: -120.090 bonds (distance) P-C4' energy: -130.534 flat angles C4'-P-C4' energy: -136.943 flat angles P-C4'-P energy: -94.092 tors. eta vs tors. theta energy: -166.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2020.225493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.225493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.225493 (E_RNA) where: Base-Base interactions energy: -1357.465 where: short stacking energy: -589.223 Base-Backbone interact. energy: 0.399 local terms energy: -663.159410 where: bonds (distance) C4'-P energy: -139.396 bonds (distance) P-C4' energy: -125.581 flat angles C4'-P-C4' energy: -137.536 flat angles P-C4'-P energy: -91.013 tors. eta vs tors. theta energy: -169.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1928.812559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.812559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.812559 (E_RNA) where: Base-Base interactions energy: -1302.095 where: short stacking energy: -547.045 Base-Backbone interact. energy: -0.939 local terms energy: -625.778583 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -124.093 flat angles P-C4'-P energy: -84.902 tors. eta vs tors. theta energy: -160.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1859.550499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.550499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.550499 (E_RNA) where: Base-Base interactions energy: -1262.815 where: short stacking energy: -537.699 Base-Backbone interact. energy: -2.886 local terms energy: -593.848715 where: bonds (distance) C4'-P energy: -93.939 bonds (distance) P-C4' energy: -117.202 flat angles C4'-P-C4' energy: -125.609 flat angles P-C4'-P energy: -97.952 tors. eta vs tors. theta energy: -159.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1602.450142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.450142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.450142 (E_RNA) where: Base-Base interactions energy: -1080.763 where: short stacking energy: -465.310 Base-Backbone interact. energy: 0.995 local terms energy: -522.682647 where: bonds (distance) C4'-P energy: -103.839 bonds (distance) P-C4' energy: -113.174 flat angles C4'-P-C4' energy: -115.700 flat angles P-C4'-P energy: -75.740 tors. eta vs tors. theta energy: -114.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1425.922996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.922996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.922996 (E_RNA) where: Base-Base interactions energy: -938.527 where: short stacking energy: -398.485 Base-Backbone interact. energy: -1.524 local terms energy: -485.872126 where: bonds (distance) C4'-P energy: -107.372 bonds (distance) P-C4' energy: -103.955 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -61.252 tors. eta vs tors. theta energy: -100.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -955.740516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.740516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.740516 (E_RNA) where: Base-Base interactions energy: -557.036 where: short stacking energy: -284.717 Base-Backbone interact. energy: 0.240 local terms energy: -398.943830 where: bonds (distance) C4'-P energy: -101.177 bonds (distance) P-C4' energy: -110.003 flat angles C4'-P-C4' energy: -100.437 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -23.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -603.473776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.473776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.473776 (E_RNA) where: Base-Base interactions energy: -231.414 where: short stacking energy: -177.654 Base-Backbone interact. energy: 0.039 local terms energy: -372.099228 where: bonds (distance) C4'-P energy: -111.102 bonds (distance) P-C4' energy: -109.038 flat angles C4'-P-C4' energy: -84.872 flat angles P-C4'-P energy: -67.909 tors. eta vs tors. theta energy: 0.822 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: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -622.386119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.386119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.386119 (E_RNA) where: Base-Base interactions energy: -302.042 where: short stacking energy: -198.072 Base-Backbone interact. energy: 5.728 local terms energy: -326.071802 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -90.965 flat angles C4'-P-C4' energy: -94.170 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: 1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2214.519713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.519713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.519713 (E_RNA) where: Base-Base interactions energy: -1521.181 where: short stacking energy: -661.023 Base-Backbone interact. energy: -0.642 local terms energy: -692.697276 where: bonds (distance) C4'-P energy: -127.858 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -139.479 flat angles P-C4'-P energy: -100.633 tors. eta vs tors. theta energy: -194.071 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: 2, replica: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2061.666816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.666816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.666816 (E_RNA) where: Base-Base interactions energy: -1420.634 where: short stacking energy: -599.464 Base-Backbone interact. energy: -1.898 local terms energy: -639.135292 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -129.503 flat angles C4'-P-C4' energy: -132.447 flat angles P-C4'-P energy: -93.212 tors. eta vs tors. theta energy: -178.619 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: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2012.646190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.646190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.646190 (E_RNA) where: Base-Base interactions energy: -1364.181 where: short stacking energy: -623.325 Base-Backbone interact. energy: -4.481 local terms energy: -643.984745 where: bonds (distance) C4'-P energy: -115.398 bonds (distance) P-C4' energy: -119.288 flat angles C4'-P-C4' energy: -132.076 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -188.087 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: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1957.212036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.212036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.212036 (E_RNA) where: Base-Base interactions energy: -1346.397 where: short stacking energy: -546.868 Base-Backbone interact. energy: -2.397 local terms energy: -608.418414 where: bonds (distance) C4'-P energy: -113.242 bonds (distance) P-C4' energy: -108.374 flat angles C4'-P-C4' energy: -146.017 flat angles P-C4'-P energy: -84.565 tors. eta vs tors. theta energy: -156.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1837.293018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.293018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.293018 (E_RNA) where: Base-Base interactions energy: -1253.869 where: short stacking energy: -531.868 Base-Backbone interact. energy: -3.152 local terms energy: -580.271304 where: bonds (distance) C4'-P energy: -116.654 bonds (distance) P-C4' energy: -112.944 flat angles C4'-P-C4' energy: -132.880 flat angles P-C4'-P energy: -79.200 tors. eta vs tors. theta energy: -138.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1630.958561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.958561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.958561 (E_RNA) where: Base-Base interactions energy: -1100.358 where: short stacking energy: -491.872 Base-Backbone interact. energy: 0.497 local terms energy: -531.096623 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -101.428 flat angles C4'-P-C4' energy: -126.721 flat angles P-C4'-P energy: -74.455 tors. eta vs tors. theta energy: -141.460 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: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1390.696588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.696588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.696588 (E_RNA) where: Base-Base interactions energy: -897.314 where: short stacking energy: -403.703 Base-Backbone interact. energy: -2.024 local terms energy: -491.359224 where: bonds (distance) C4'-P energy: -93.900 bonds (distance) P-C4' energy: -112.154 flat angles C4'-P-C4' energy: -122.773 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -83.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -946.145434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.145434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.145434 (E_RNA) where: Base-Base interactions energy: -543.788 where: short stacking energy: -273.277 Base-Backbone interact. energy: -0.974 local terms energy: -401.382809 where: bonds (distance) C4'-P energy: -109.799 bonds (distance) P-C4' energy: -116.658 flat angles C4'-P-C4' energy: -83.540 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -38.271 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: 2 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -571.362798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.362798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.362798 (E_RNA) where: Base-Base interactions energy: -238.894 where: short stacking energy: -180.482 Base-Backbone interact. energy: -0.124 local terms energy: -332.344401 where: bonds (distance) C4'-P energy: -101.544 bonds (distance) P-C4' energy: -110.613 flat angles C4'-P-C4' energy: -84.039 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: 12.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -610.986041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.986041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.986041 (E_RNA) where: Base-Base interactions energy: -287.788 where: short stacking energy: -166.896 Base-Backbone interact. energy: -2.868 local terms energy: -320.330021 where: bonds (distance) C4'-P energy: -80.417 bonds (distance) P-C4' energy: -115.058 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -40.899 tors. eta vs tors. theta energy: 9.388 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: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2213.494461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.494461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.494461 (E_RNA) where: Base-Base interactions energy: -1522.097 where: short stacking energy: -654.381 Base-Backbone interact. energy: -1.251 local terms energy: -690.145843 where: bonds (distance) C4'-P energy: -122.227 bonds (distance) P-C4' energy: -129.248 flat angles C4'-P-C4' energy: -155.907 flat angles P-C4'-P energy: -87.379 tors. eta vs tors. theta energy: -195.384 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: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2057.752692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.752692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.752692 (E_RNA) where: Base-Base interactions energy: -1419.728 where: short stacking energy: -597.262 Base-Backbone interact. energy: -0.941 local terms energy: -637.083559 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -117.378 flat angles C4'-P-C4' energy: -130.617 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -172.498 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: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1987.132790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.132790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.132790 (E_RNA) where: Base-Base interactions energy: -1362.819 where: short stacking energy: -586.937 Base-Backbone interact. energy: -2.467 local terms energy: -621.847627 where: bonds (distance) C4'-P energy: -109.989 bonds (distance) P-C4' energy: -124.827 flat angles C4'-P-C4' energy: -128.053 flat angles P-C4'-P energy: -88.956 tors. eta vs tors. theta energy: -170.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1994.487654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.487654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.487654 (E_RNA) where: Base-Base interactions energy: -1386.811 where: short stacking energy: -556.214 Base-Backbone interact. energy: -5.150 local terms energy: -602.526078 where: bonds (distance) C4'-P energy: -105.150 bonds (distance) P-C4' energy: -101.241 flat angles C4'-P-C4' energy: -140.182 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -168.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1827.283215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.283215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.283215 (E_RNA) where: Base-Base interactions energy: -1265.463 where: short stacking energy: -566.179 Base-Backbone interact. energy: 5.405 local terms energy: -567.225297 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -122.450 flat angles C4'-P-C4' energy: -132.414 flat angles P-C4'-P energy: -88.503 tors. eta vs tors. theta energy: -148.932 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: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1683.913583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.913583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.913583 (E_RNA) where: Base-Base interactions energy: -1129.520 where: short stacking energy: -518.606 Base-Backbone interact. energy: 0.275 local terms energy: -554.668417 where: bonds (distance) C4'-P energy: -103.685 bonds (distance) P-C4' energy: -120.279 flat angles C4'-P-C4' energy: -117.490 flat angles P-C4'-P energy: -76.392 tors. eta vs tors. theta energy: -136.822 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: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1481.814168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.814168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.814168 (E_RNA) where: Base-Base interactions energy: -953.272 where: short stacking energy: -438.956 Base-Backbone interact. energy: -3.157 local terms energy: -525.385655 where: bonds (distance) C4'-P energy: -107.623 bonds (distance) P-C4' energy: -109.742 flat angles C4'-P-C4' energy: -111.759 flat angles P-C4'-P energy: -96.195 tors. eta vs tors. theta energy: -100.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -969.091265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.091265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.091265 (E_RNA) where: Base-Base interactions energy: -542.664 where: short stacking energy: -259.177 Base-Backbone interact. energy: -0.567 local terms energy: -425.860931 where: bonds (distance) C4'-P energy: -103.799 bonds (distance) P-C4' energy: -127.070 flat angles C4'-P-C4' energy: -92.875 flat angles P-C4'-P energy: -64.421 tors. eta vs tors. theta energy: -37.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -651.897210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.897210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.897210 (E_RNA) where: Base-Base interactions energy: -291.846 where: short stacking energy: -172.217 Base-Backbone interact. energy: 4.384 local terms energy: -364.434914 where: bonds (distance) C4'-P energy: -114.823 bonds (distance) P-C4' energy: -105.634 flat angles C4'-P-C4' energy: -97.879 flat angles P-C4'-P energy: -49.773 tors. eta vs tors. theta energy: 3.674 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: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -526.031995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.031995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.031995 (E_RNA) where: Base-Base interactions energy: -193.015 where: short stacking energy: -151.920 Base-Backbone interact. energy: -0.886 local terms energy: -332.130806 where: bonds (distance) C4'-P energy: -108.578 bonds (distance) P-C4' energy: -95.246 flat angles C4'-P-C4' energy: -101.164 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: 24.354 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: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2213.535727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.535727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.535727 (E_RNA) where: Base-Base interactions energy: -1522.027 where: short stacking energy: -649.172 Base-Backbone interact. energy: -0.370 local terms energy: -691.138684 where: bonds (distance) C4'-P energy: -133.982 bonds (distance) P-C4' energy: -120.456 flat angles C4'-P-C4' energy: -143.424 flat angles P-C4'-P energy: -100.467 tors. eta vs tors. theta energy: -192.810 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: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2046.094286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.094286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.094286 (E_RNA) where: Base-Base interactions energy: -1398.433 where: short stacking energy: -605.411 Base-Backbone interact. energy: -2.002 local terms energy: -645.659215 where: bonds (distance) C4'-P energy: -125.196 bonds (distance) P-C4' energy: -116.426 flat angles C4'-P-C4' energy: -143.410 flat angles P-C4'-P energy: -87.377 tors. eta vs tors. theta energy: -173.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2000.746398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.746398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.746398 (E_RNA) where: Base-Base interactions energy: -1387.665 where: short stacking energy: -607.136 Base-Backbone interact. energy: -1.441 local terms energy: -611.639794 where: bonds (distance) C4'-P energy: -113.314 bonds (distance) P-C4' energy: -110.783 flat angles C4'-P-C4' energy: -125.654 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -178.463 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: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1979.877567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.877567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.877567 (E_RNA) where: Base-Base interactions energy: -1376.078 where: short stacking energy: -554.478 Base-Backbone interact. energy: 1.480 local terms energy: -605.280436 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -115.944 flat angles C4'-P-C4' energy: -134.105 flat angles P-C4'-P energy: -72.330 tors. eta vs tors. theta energy: -167.185 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: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1861.739173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.739173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.739173 (E_RNA) where: Base-Base interactions energy: -1266.860 where: short stacking energy: -577.095 Base-Backbone interact. energy: -1.323 local terms energy: -593.555472 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -75.771 tors. eta vs tors. theta energy: -156.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1690.184757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.184757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.184757 (E_RNA) where: Base-Base interactions energy: -1139.984 where: short stacking energy: -480.600 Base-Backbone interact. energy: -1.046 local terms energy: -549.154261 where: bonds (distance) C4'-P energy: -105.146 bonds (distance) P-C4' energy: -107.837 flat angles C4'-P-C4' energy: -127.823 flat angles P-C4'-P energy: -74.033 tors. eta vs tors. theta energy: -134.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1349.397479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.397479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.397479 (E_RNA) where: Base-Base interactions energy: -858.751 where: short stacking energy: -375.850 Base-Backbone interact. energy: -1.681 local terms energy: -488.964704 where: bonds (distance) C4'-P energy: -120.141 bonds (distance) P-C4' energy: -104.029 flat angles C4'-P-C4' energy: -110.965 flat angles P-C4'-P energy: -71.889 tors. eta vs tors. theta energy: -81.941 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: 311 Temperature: 1.250000 Total energy: -936.932808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.932808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.932808 (E_RNA) where: Base-Base interactions energy: -548.131 where: short stacking energy: -262.123 Base-Backbone interact. energy: -0.808 local terms energy: -387.993771 where: bonds (distance) C4'-P energy: -87.458 bonds (distance) P-C4' energy: -109.569 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -71.984 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: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -631.428903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.428903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.428903 (E_RNA) where: Base-Base interactions energy: -329.158 where: short stacking energy: -198.851 Base-Backbone interact. energy: -2.780 local terms energy: -299.490475 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -114.064 flat angles C4'-P-C4' energy: -59.779 flat angles P-C4'-P energy: -47.346 tors. eta vs tors. theta energy: 22.865 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: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -494.121818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.121818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.121818 (E_RNA) where: Base-Base interactions energy: -165.181 where: short stacking energy: -126.661 Base-Backbone interact. energy: 6.437 local terms energy: -335.378437 where: bonds (distance) C4'-P energy: -99.993 bonds (distance) P-C4' energy: -119.324 flat angles C4'-P-C4' energy: -74.379 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: 23.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2220.641062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.641062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.641062 (E_RNA) where: Base-Base interactions energy: -1543.685 where: short stacking energy: -646.004 Base-Backbone interact. energy: 1.003 local terms energy: -677.959654 where: bonds (distance) C4'-P energy: -108.919 bonds (distance) P-C4' energy: -129.532 flat angles C4'-P-C4' energy: -149.016 flat angles P-C4'-P energy: -98.399 tors. eta vs tors. theta energy: -192.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2054.725115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.725115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.725115 (E_RNA) where: Base-Base interactions energy: -1414.085 where: short stacking energy: -601.750 Base-Backbone interact. energy: -3.343 local terms energy: -637.296370 where: bonds (distance) C4'-P energy: -116.131 bonds (distance) P-C4' energy: -120.982 flat angles C4'-P-C4' energy: -140.188 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -177.543 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: 312 Temperature: 1.000000 Total energy: -2047.981592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.981592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.981592 (E_RNA) where: Base-Base interactions energy: -1408.151 where: short stacking energy: -590.334 Base-Backbone interact. energy: -3.393 local terms energy: -636.437091 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -115.847 flat angles C4'-P-C4' energy: -148.096 flat angles P-C4'-P energy: -84.162 tors. eta vs tors. theta energy: -176.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1947.012351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.012351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.012351 (E_RNA) where: Base-Base interactions energy: -1354.096 where: short stacking energy: -564.422 Base-Backbone interact. energy: -1.207 local terms energy: -591.709250 where: bonds (distance) C4'-P energy: -113.428 bonds (distance) P-C4' energy: -124.400 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -73.669 tors. eta vs tors. theta energy: -172.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1860.323159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.323159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.323159 (E_RNA) where: Base-Base interactions energy: -1274.160 where: short stacking energy: -529.578 Base-Backbone interact. energy: 1.364 local terms energy: -587.527120 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -115.452 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -81.346 tors. eta vs tors. theta energy: -141.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1721.005231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.005231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.005231 (E_RNA) where: Base-Base interactions energy: -1184.950 where: short stacking energy: -522.195 Base-Backbone interact. energy: 2.343 local terms energy: -538.398657 where: bonds (distance) C4'-P energy: -97.354 bonds (distance) P-C4' energy: -110.327 flat angles C4'-P-C4' energy: -126.729 flat angles P-C4'-P energy: -64.625 tors. eta vs tors. theta energy: -139.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1394.365446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.365446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.365446 (E_RNA) where: Base-Base interactions energy: -897.673 where: short stacking energy: -373.497 Base-Backbone interact. energy: -2.199 local terms energy: -494.493476 where: bonds (distance) C4'-P energy: -113.725 bonds (distance) P-C4' energy: -107.986 flat angles C4'-P-C4' energy: -116.222 flat angles P-C4'-P energy: -78.896 tors. eta vs tors. theta energy: -77.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1018.124361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.124361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.124361 (E_RNA) where: Base-Base interactions energy: -586.847 where: short stacking energy: -286.717 Base-Backbone interact. energy: 0.536 local terms energy: -431.812517 where: bonds (distance) C4'-P energy: -119.990 bonds (distance) P-C4' energy: -109.865 flat angles C4'-P-C4' energy: -107.914 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -33.053 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: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -638.554926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.554926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.554926 (E_RNA) where: Base-Base interactions energy: -275.732 where: short stacking energy: -168.965 Base-Backbone interact. energy: -2.467 local terms energy: -360.356502 where: bonds (distance) C4'-P energy: -98.155 bonds (distance) P-C4' energy: -126.353 flat angles C4'-P-C4' energy: -102.823 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: 11.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -456.793833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.793833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.793833 (E_RNA) where: Base-Base interactions energy: -152.343 where: short stacking energy: -111.668 Base-Backbone interact. energy: -0.185 local terms energy: -304.265443 where: bonds (distance) C4'-P energy: -103.166 bonds (distance) P-C4' energy: -123.483 flat angles C4'-P-C4' energy: -63.151 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: 39.255 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: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2204.940820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.940820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.940820 (E_RNA) where: Base-Base interactions energy: -1497.300 where: short stacking energy: -664.618 Base-Backbone interact. energy: -1.605 local terms energy: -706.035570 where: bonds (distance) C4'-P energy: -134.226 bonds (distance) P-C4' energy: -135.381 flat angles C4'-P-C4' energy: -151.504 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -196.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2114.669432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.669432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.669432 (E_RNA) where: Base-Base interactions energy: -1438.639 where: short stacking energy: -599.763 Base-Backbone interact. energy: -5.196 local terms energy: -670.834938 where: bonds (distance) C4'-P energy: -122.251 bonds (distance) P-C4' energy: -124.516 flat angles C4'-P-C4' energy: -148.609 flat angles P-C4'-P energy: -92.583 tors. eta vs tors. theta energy: -182.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2032.949239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.949239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.949239 (E_RNA) where: Base-Base interactions energy: -1397.776 where: short stacking energy: -605.880 Base-Backbone interact. energy: -0.286 local terms energy: -634.887088 where: bonds (distance) C4'-P energy: -113.243 bonds (distance) P-C4' energy: -126.177 flat angles C4'-P-C4' energy: -140.252 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -169.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1960.787437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.787437 (E_RNA) where: Base-Base interactions energy: -1329.912 where: short stacking energy: -557.374 Base-Backbone interact. energy: -1.769 local terms energy: -629.106848 where: bonds (distance) C4'-P energy: -120.364 bonds (distance) P-C4' energy: -119.622 flat angles C4'-P-C4' energy: -135.848 flat angles P-C4'-P energy: -93.820 tors. eta vs tors. theta energy: -159.453 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: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1814.898518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.898518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.898518 (E_RNA) where: Base-Base interactions energy: -1264.619 where: short stacking energy: -531.944 Base-Backbone interact. energy: -1.331 local terms energy: -548.947928 where: bonds (distance) C4'-P energy: -103.957 bonds (distance) P-C4' energy: -98.844 flat angles C4'-P-C4' energy: -129.350 flat angles P-C4'-P energy: -72.594 tors. eta vs tors. theta energy: -144.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1698.140296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.140296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.140296 (E_RNA) where: Base-Base interactions energy: -1148.362 where: short stacking energy: -494.144 Base-Backbone interact. energy: -1.814 local terms energy: -547.964533 where: bonds (distance) C4'-P energy: -101.202 bonds (distance) P-C4' energy: -110.186 flat angles C4'-P-C4' energy: -129.639 flat angles P-C4'-P energy: -67.805 tors. eta vs tors. theta energy: -139.132 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: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1271.453687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.453687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.453687 (E_RNA) where: Base-Base interactions energy: -781.907 where: short stacking energy: -357.719 Base-Backbone interact. energy: -3.622 local terms energy: -485.925231 where: bonds (distance) C4'-P energy: -104.867 bonds (distance) P-C4' energy: -127.946 flat angles C4'-P-C4' energy: -121.907 flat angles P-C4'-P energy: -66.658 tors. eta vs tors. theta energy: -64.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1021.798831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.798831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.798831 (E_RNA) where: Base-Base interactions energy: -581.111 where: short stacking energy: -266.218 Base-Backbone interact. energy: -2.035 local terms energy: -438.653442 where: bonds (distance) C4'-P energy: -104.011 bonds (distance) P-C4' energy: -123.159 flat angles C4'-P-C4' energy: -95.278 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -46.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -624.079543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.079543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.079543 (E_RNA) where: Base-Base interactions energy: -283.269 where: short stacking energy: -159.931 Base-Backbone interact. energy: 0.048 local terms energy: -340.859253 where: bonds (distance) C4'-P energy: -93.153 bonds (distance) P-C4' energy: -118.573 flat angles C4'-P-C4' energy: -87.593 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: 16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -483.078352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.078352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.078352 (E_RNA) where: Base-Base interactions energy: -164.876 where: short stacking energy: -125.866 Base-Backbone interact. energy: -1.973 local terms energy: -316.229550 where: bonds (distance) C4'-P energy: -114.737 bonds (distance) P-C4' energy: -101.587 flat angles C4'-P-C4' energy: -83.867 flat angles P-C4'-P energy: -41.116 tors. eta vs tors. theta energy: 25.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2222.568612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.568612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.568612 (E_RNA) where: Base-Base interactions energy: -1533.411 where: short stacking energy: -658.995 Base-Backbone interact. energy: -0.455 local terms energy: -688.702184 where: bonds (distance) C4'-P energy: -117.177 bonds (distance) P-C4' energy: -127.966 flat angles C4'-P-C4' energy: -148.410 flat angles P-C4'-P energy: -96.906 tors. eta vs tors. theta energy: -198.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2089.753939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.753939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.753939 (E_RNA) where: Base-Base interactions energy: -1438.182 where: short stacking energy: -591.679 Base-Backbone interact. energy: -4.381 local terms energy: -647.190217 where: bonds (distance) C4'-P energy: -115.871 bonds (distance) P-C4' energy: -127.521 flat angles C4'-P-C4' energy: -140.960 flat angles P-C4'-P energy: -92.568 tors. eta vs tors. theta energy: -170.270 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: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2018.642093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.642093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.642093 (E_RNA) where: Base-Base interactions energy: -1373.075 where: short stacking energy: -591.148 Base-Backbone interact. energy: -3.059 local terms energy: -642.507795 where: bonds (distance) C4'-P energy: -120.277 bonds (distance) P-C4' energy: -113.122 flat angles C4'-P-C4' energy: -148.353 flat angles P-C4'-P energy: -91.768 tors. eta vs tors. theta energy: -168.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1946.524790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.524790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.524790 (E_RNA) where: Base-Base interactions energy: -1368.681 where: short stacking energy: -588.738 Base-Backbone interact. energy: -1.076 local terms energy: -576.767366 where: bonds (distance) C4'-P energy: -110.575 bonds (distance) P-C4' energy: -105.660 flat angles C4'-P-C4' energy: -120.726 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -157.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1811.751087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.751087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.751087 (E_RNA) where: Base-Base interactions energy: -1233.306 where: short stacking energy: -492.736 Base-Backbone interact. energy: -1.192 local terms energy: -577.252976 where: bonds (distance) C4'-P energy: -109.512 bonds (distance) P-C4' energy: -110.937 flat angles C4'-P-C4' energy: -117.333 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -145.654 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: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1641.930930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.930930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.930930 (E_RNA) where: Base-Base interactions energy: -1080.554 where: short stacking energy: -444.702 Base-Backbone interact. energy: -1.959 local terms energy: -559.417276 where: bonds (distance) C4'-P energy: -109.338 bonds (distance) P-C4' energy: -120.330 flat angles C4'-P-C4' energy: -121.577 flat angles P-C4'-P energy: -89.207 tors. eta vs tors. theta energy: -118.966 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: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1337.182691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.182691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.182691 (E_RNA) where: Base-Base interactions energy: -829.203 where: short stacking energy: -393.016 Base-Backbone interact. energy: -0.003 local terms energy: -507.977393 where: bonds (distance) C4'-P energy: -117.091 bonds (distance) P-C4' energy: -103.005 flat angles C4'-P-C4' energy: -114.511 flat angles P-C4'-P energy: -67.237 tors. eta vs tors. theta energy: -106.134 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: 314 Temperature: 1.250000 Total energy: -1054.340834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.340834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.340834 (E_RNA) where: Base-Base interactions energy: -630.107 where: short stacking energy: -314.620 Base-Backbone interact. energy: 0.567 local terms energy: -424.800775 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -98.428 flat angles C4'-P-C4' energy: -115.704 flat angles P-C4'-P energy: -74.405 tors. eta vs tors. theta energy: -35.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -595.446052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.446052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.446052 (E_RNA) where: Base-Base interactions energy: -237.487 where: short stacking energy: -191.154 Base-Backbone interact. energy: 2.853 local terms energy: -360.812677 where: bonds (distance) C4'-P energy: -91.833 bonds (distance) P-C4' energy: -109.195 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -57.794 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -595.021895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.021895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.021895 (E_RNA) where: Base-Base interactions energy: -274.292 where: short stacking energy: -184.908 Base-Backbone interact. energy: 6.086 local terms energy: -326.816358 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -114.576 flat angles C4'-P-C4' energy: -85.713 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: 9.068 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: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2216.862280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.862280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.862280 (E_RNA) where: Base-Base interactions energy: -1522.597 where: short stacking energy: -653.293 Base-Backbone interact. energy: -5.153 local terms energy: -689.112212 where: bonds (distance) C4'-P energy: -119.114 bonds (distance) P-C4' energy: -130.894 flat angles C4'-P-C4' energy: -150.900 flat angles P-C4'-P energy: -101.400 tors. eta vs tors. theta energy: -186.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2088.213347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.213347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.213347 (E_RNA) where: Base-Base interactions energy: -1457.529 where: short stacking energy: -586.682 Base-Backbone interact. energy: 0.054 local terms energy: -630.738334 where: bonds (distance) C4'-P energy: -107.893 bonds (distance) P-C4' energy: -109.581 flat angles C4'-P-C4' energy: -147.341 flat angles P-C4'-P energy: -89.949 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: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2004.845184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.845184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.845184 (E_RNA) where: Base-Base interactions energy: -1368.919 where: short stacking energy: -586.867 Base-Backbone interact. energy: -1.628 local terms energy: -634.298381 where: bonds (distance) C4'-P energy: -113.166 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -134.311 flat angles P-C4'-P energy: -100.380 tors. eta vs tors. theta energy: -167.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1944.803929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.803929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.803929 (E_RNA) where: Base-Base interactions energy: -1343.900 where: short stacking energy: -543.174 Base-Backbone interact. energy: 4.000 local terms energy: -604.903519 where: bonds (distance) C4'-P energy: -121.475 bonds (distance) P-C4' energy: -115.139 flat angles C4'-P-C4' energy: -130.612 flat angles P-C4'-P energy: -84.456 tors. eta vs tors. theta energy: -153.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1819.764880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.764880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.764880 (E_RNA) where: Base-Base interactions energy: -1257.917 where: short stacking energy: -513.465 Base-Backbone interact. energy: -1.188 local terms energy: -560.660063 where: bonds (distance) C4'-P energy: -112.133 bonds (distance) P-C4' energy: -111.780 flat angles C4'-P-C4' energy: -124.244 flat angles P-C4'-P energy: -78.824 tors. eta vs tors. theta energy: -133.679 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: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1646.999757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.999757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.999757 (E_RNA) where: Base-Base interactions energy: -1113.061 where: short stacking energy: -462.431 Base-Backbone interact. energy: -1.524 local terms energy: -532.414348 where: bonds (distance) C4'-P energy: -101.095 bonds (distance) P-C4' energy: -118.960 flat angles C4'-P-C4' energy: -120.487 flat angles P-C4'-P energy: -69.272 tors. eta vs tors. theta energy: -122.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1379.977817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.977817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.977817 (E_RNA) where: Base-Base interactions energy: -892.678 where: short stacking energy: -425.716 Base-Backbone interact. energy: 9.003 local terms energy: -496.303239 where: bonds (distance) C4'-P energy: -103.044 bonds (distance) P-C4' energy: -107.881 flat angles C4'-P-C4' energy: -116.343 flat angles P-C4'-P energy: -66.360 tors. eta vs tors. theta energy: -102.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1000.524391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.524391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.524391 (E_RNA) where: Base-Base interactions energy: -580.164 where: short stacking energy: -310.088 Base-Backbone interact. energy: -0.546 local terms energy: -419.813937 where: bonds (distance) C4'-P energy: -105.305 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -112.102 flat angles P-C4'-P energy: -57.961 tors. eta vs tors. theta energy: -43.768 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: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -528.132136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.132136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.132136 (E_RNA) where: Base-Base interactions energy: -203.743 where: short stacking energy: -178.140 Base-Backbone interact. energy: -0.227 local terms energy: -324.161367 where: bonds (distance) C4'-P energy: -92.009 bonds (distance) P-C4' energy: -106.672 flat angles C4'-P-C4' energy: -86.768 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: 4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -631.563683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.563683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.563683 (E_RNA) where: Base-Base interactions energy: -309.382 where: short stacking energy: -171.910 Base-Backbone interact. energy: 0.480 local terms energy: -322.661533 where: bonds (distance) C4'-P energy: -92.923 bonds (distance) P-C4' energy: -107.664 flat angles C4'-P-C4' energy: -88.182 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: 16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2212.143112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.143112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.143112 (E_RNA) where: Base-Base interactions energy: -1536.091 where: short stacking energy: -656.773 Base-Backbone interact. energy: -1.786 local terms energy: -674.266679 where: bonds (distance) C4'-P energy: -107.998 bonds (distance) P-C4' energy: -118.849 flat angles C4'-P-C4' energy: -154.280 flat angles P-C4'-P energy: -100.210 tors. eta vs tors. theta energy: -192.929 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: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2099.328135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.328135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.328135 (E_RNA) where: Base-Base interactions energy: -1451.145 where: short stacking energy: -574.943 Base-Backbone interact. energy: -6.927 local terms energy: -641.256481 where: bonds (distance) C4'-P energy: -118.019 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -132.029 flat angles P-C4'-P energy: -95.244 tors. eta vs tors. theta energy: -182.111 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: 316 Temperature: 1.000000 Total energy: -2026.987656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.987656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.987656 (E_RNA) where: Base-Base interactions energy: -1395.379 where: short stacking energy: -589.674 Base-Backbone interact. energy: 1.428 local terms energy: -633.036662 where: bonds (distance) C4'-P energy: -115.886 bonds (distance) P-C4' energy: -117.822 flat angles C4'-P-C4' energy: -139.054 flat angles P-C4'-P energy: -85.197 tors. eta vs tors. theta energy: -175.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1901.916841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.916841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.916841 (E_RNA) where: Base-Base interactions energy: -1321.399 where: short stacking energy: -561.669 Base-Backbone interact. energy: -2.085 local terms energy: -578.432532 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -116.433 flat angles C4'-P-C4' energy: -129.175 flat angles P-C4'-P energy: -73.252 tors. eta vs tors. theta energy: -162.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1879.858760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.858760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.858760 (E_RNA) where: Base-Base interactions energy: -1272.827 where: short stacking energy: -549.867 Base-Backbone interact. energy: -5.031 local terms energy: -602.000226 where: bonds (distance) C4'-P energy: -114.328 bonds (distance) P-C4' energy: -113.325 flat angles C4'-P-C4' energy: -146.181 flat angles P-C4'-P energy: -79.152 tors. eta vs tors. theta energy: -149.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1659.875765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.875765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.875765 (E_RNA) where: Base-Base interactions energy: -1142.362 where: short stacking energy: -478.770 Base-Backbone interact. energy: -1.272 local terms energy: -516.241763 where: bonds (distance) C4'-P energy: -99.025 bonds (distance) P-C4' energy: -103.290 flat angles C4'-P-C4' energy: -114.572 flat angles P-C4'-P energy: -84.326 tors. eta vs tors. theta energy: -115.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1375.112314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.112314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.112314 (E_RNA) where: Base-Base interactions energy: -864.930 where: short stacking energy: -407.839 Base-Backbone interact. energy: -1.524 local terms energy: -508.658411 where: bonds (distance) C4'-P energy: -110.037 bonds (distance) P-C4' energy: -111.229 flat angles C4'-P-C4' energy: -108.762 flat angles P-C4'-P energy: -84.554 tors. eta vs tors. theta energy: -94.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1008.028546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.028546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.028546 (E_RNA) where: Base-Base interactions energy: -608.152 where: short stacking energy: -323.608 Base-Backbone interact. energy: -0.317 local terms energy: -399.558640 where: bonds (distance) C4'-P energy: -100.051 bonds (distance) P-C4' energy: -125.243 flat angles C4'-P-C4' energy: -86.376 flat angles P-C4'-P energy: -51.748 tors. eta vs tors. theta energy: -36.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -699.754505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.754505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.754505 (E_RNA) where: Base-Base interactions energy: -347.460 where: short stacking energy: -206.226 Base-Backbone interact. energy: -4.303 local terms energy: -347.991677 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -74.897 flat angles P-C4'-P energy: -59.722 tors. eta vs tors. theta energy: -5.555 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: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -520.879913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.879913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.879913 (E_RNA) where: Base-Base interactions energy: -196.508 where: short stacking energy: -154.202 Base-Backbone interact. energy: -0.043 local terms energy: -324.328901 where: bonds (distance) C4'-P energy: -97.864 bonds (distance) P-C4' energy: -110.633 flat angles C4'-P-C4' energy: -83.870 flat angles P-C4'-P energy: -46.060 tors. eta vs tors. theta energy: 14.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2211.535748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.535748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.535748 (E_RNA) where: Base-Base interactions energy: -1530.332 where: short stacking energy: -665.699 Base-Backbone interact. energy: -0.554 local terms energy: -680.649562 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -119.584 flat angles C4'-P-C4' energy: -134.922 flat angles P-C4'-P energy: -108.051 tors. eta vs tors. theta energy: -186.562 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: 317 Temperature: 0.950000 Total energy: -2099.465855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.465855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.465855 (E_RNA) where: Base-Base interactions energy: -1460.082 where: short stacking energy: -593.433 Base-Backbone interact. energy: -0.104 local terms energy: -639.279441 where: bonds (distance) C4'-P energy: -109.305 bonds (distance) P-C4' energy: -111.657 flat angles C4'-P-C4' energy: -149.423 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -168.543 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: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1940.151073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.151073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.151073 (E_RNA) where: Base-Base interactions energy: -1338.651 where: short stacking energy: -575.178 Base-Backbone interact. energy: -1.815 local terms energy: -599.685062 where: bonds (distance) C4'-P energy: -104.835 bonds (distance) P-C4' energy: -109.675 flat angles C4'-P-C4' energy: -137.102 flat angles P-C4'-P energy: -78.512 tors. eta vs tors. theta energy: -169.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1913.639419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.639419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.639419 (E_RNA) where: Base-Base interactions energy: -1320.989 where: short stacking energy: -548.922 Base-Backbone interact. energy: -1.823 local terms energy: -590.827938 where: bonds (distance) C4'-P energy: -116.603 bonds (distance) P-C4' energy: -119.161 flat angles C4'-P-C4' energy: -125.585 flat angles P-C4'-P energy: -89.226 tors. eta vs tors. theta energy: -140.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1836.917923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.917923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.917923 (E_RNA) where: Base-Base interactions energy: -1264.936 where: short stacking energy: -517.148 Base-Backbone interact. energy: -0.855 local terms energy: -571.126305 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -115.199 flat angles C4'-P-C4' energy: -134.192 flat angles P-C4'-P energy: -74.463 tors. eta vs tors. theta energy: -145.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1669.728559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.728559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.728559 (E_RNA) where: Base-Base interactions energy: -1149.152 where: short stacking energy: -508.417 Base-Backbone interact. energy: -0.266 local terms energy: -520.310188 where: bonds (distance) C4'-P energy: -105.450 bonds (distance) P-C4' energy: -106.379 flat angles C4'-P-C4' energy: -102.676 flat angles P-C4'-P energy: -79.314 tors. eta vs tors. theta energy: -126.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1387.219935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.219935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.219935 (E_RNA) where: Base-Base interactions energy: -870.133 where: short stacking energy: -410.520 Base-Backbone interact. energy: -3.868 local terms energy: -513.219133 where: bonds (distance) C4'-P energy: -107.121 bonds (distance) P-C4' energy: -106.795 flat angles C4'-P-C4' energy: -112.464 flat angles P-C4'-P energy: -76.597 tors. eta vs tors. theta energy: -110.243 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: 317 Temperature: 1.250000 Total energy: -1104.410266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.410266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.410266 (E_RNA) where: Base-Base interactions energy: -686.448 where: short stacking energy: -310.063 Base-Backbone interact. energy: -3.227 local terms energy: -414.734538 where: bonds (distance) C4'-P energy: -97.348 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -103.424 flat angles P-C4'-P energy: -70.462 tors. eta vs tors. theta energy: -51.271 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: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -690.889749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.889749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.889749 (E_RNA) where: Base-Base interactions energy: -355.496 where: short stacking energy: -204.276 Base-Backbone interact. energy: 2.060 local terms energy: -337.454164 where: bonds (distance) C4'-P energy: -86.156 bonds (distance) P-C4' energy: -106.103 flat angles C4'-P-C4' energy: -95.201 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -1.347 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: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -476.677578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.677578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.677578 (E_RNA) where: Base-Base interactions energy: -194.431 where: short stacking energy: -144.882 Base-Backbone interact. energy: 7.029 local terms energy: -289.276070 where: bonds (distance) C4'-P energy: -105.860 bonds (distance) P-C4' energy: -97.432 flat angles C4'-P-C4' energy: -78.033 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: 42.552 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: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2206.081497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.081497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.081497 (E_RNA) where: Base-Base interactions energy: -1517.044 where: short stacking energy: -656.415 Base-Backbone interact. energy: 2.000 local terms energy: -691.038130 where: bonds (distance) C4'-P energy: -129.817 bonds (distance) P-C4' energy: -128.417 flat angles C4'-P-C4' energy: -141.908 flat angles P-C4'-P energy: -102.414 tors. eta vs tors. theta energy: -188.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2104.132805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.132805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.132805 (E_RNA) where: Base-Base interactions energy: -1466.555 where: short stacking energy: -593.124 Base-Backbone interact. energy: -4.074 local terms energy: -633.503832 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -115.141 flat angles C4'-P-C4' energy: -136.100 flat angles P-C4'-P energy: -89.250 tors. eta vs tors. theta energy: -175.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1995.359280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.359280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.359280 (E_RNA) where: Base-Base interactions energy: -1351.886 where: short stacking energy: -576.898 Base-Backbone interact. energy: -2.204 local terms energy: -641.270087 where: bonds (distance) C4'-P energy: -115.012 bonds (distance) P-C4' energy: -130.581 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -84.792 tors. eta vs tors. theta energy: -179.007 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: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1908.731659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.731659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.731659 (E_RNA) where: Base-Base interactions energy: -1316.507 where: short stacking energy: -507.424 Base-Backbone interact. energy: -3.166 local terms energy: -589.058527 where: bonds (distance) C4'-P energy: -114.686 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -115.978 flat angles P-C4'-P energy: -92.966 tors. eta vs tors. theta energy: -150.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1861.883306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.883306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.883306 (E_RNA) where: Base-Base interactions energy: -1277.759 where: short stacking energy: -544.574 Base-Backbone interact. energy: -2.091 local terms energy: -582.032993 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -118.988 flat angles C4'-P-C4' energy: -125.242 flat angles P-C4'-P energy: -82.689 tors. eta vs tors. theta energy: -156.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1615.733461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.733461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.733461 (E_RNA) where: Base-Base interactions energy: -1067.570 where: short stacking energy: -455.281 Base-Backbone interact. energy: -3.856 local terms energy: -544.306863 where: bonds (distance) C4'-P energy: -98.187 bonds (distance) P-C4' energy: -113.502 flat angles C4'-P-C4' energy: -125.584 flat angles P-C4'-P energy: -72.374 tors. eta vs tors. theta energy: -134.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1355.734054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.734054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.734054 (E_RNA) where: Base-Base interactions energy: -886.443 where: short stacking energy: -395.909 Base-Backbone interact. energy: -1.603 local terms energy: -467.688801 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -99.382 flat angles C4'-P-C4' energy: -111.494 flat angles P-C4'-P energy: -79.095 tors. eta vs tors. theta energy: -85.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1102.102380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.102380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.102380 (E_RNA) where: Base-Base interactions energy: -677.529 where: short stacking energy: -307.893 Base-Backbone interact. energy: 2.550 local terms energy: -427.123436 where: bonds (distance) C4'-P energy: -94.098 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -111.052 flat angles P-C4'-P energy: -70.419 tors. eta vs tors. theta energy: -40.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -687.360347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.360347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.360347 (E_RNA) where: Base-Base interactions energy: -352.222 where: short stacking energy: -181.603 Base-Backbone interact. energy: 1.250 local terms energy: -336.387975 where: bonds (distance) C4'-P energy: -89.798 bonds (distance) P-C4' energy: -102.936 flat angles C4'-P-C4' energy: -102.674 flat angles P-C4'-P energy: -48.986 tors. eta vs tors. theta energy: 8.005 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: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -525.562222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.562222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.562222 (E_RNA) where: Base-Base interactions energy: -222.784 where: short stacking energy: -175.981 Base-Backbone interact. energy: 6.447 local terms energy: -309.224847 where: bonds (distance) C4'-P energy: -91.309 bonds (distance) P-C4' energy: -108.090 flat angles C4'-P-C4' energy: -82.982 flat angles P-C4'-P energy: -45.823 tors. eta vs tors. theta energy: 18.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2254.580778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.580778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.580778 (E_RNA) where: Base-Base interactions energy: -1537.421 where: short stacking energy: -633.891 Base-Backbone interact. energy: -2.683 local terms energy: -714.477656 where: bonds (distance) C4'-P energy: -130.221 bonds (distance) P-C4' energy: -137.611 flat angles C4'-P-C4' energy: -144.838 flat angles P-C4'-P energy: -109.614 tors. eta vs tors. theta energy: -192.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2120.737964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.737964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.737964 (E_RNA) where: Base-Base interactions energy: -1468.305 where: short stacking energy: -596.196 Base-Backbone interact. energy: 0.084 local terms energy: -652.516789 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -180.482 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: 319 Temperature: 1.000000 Total energy: -2009.247416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.247416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.247416 (E_RNA) where: Base-Base interactions energy: -1372.327 where: short stacking energy: -576.930 Base-Backbone interact. energy: -5.046 local terms energy: -631.874189 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -112.529 flat angles C4'-P-C4' energy: -133.160 flat angles P-C4'-P energy: -93.025 tors. eta vs tors. theta energy: -179.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1910.980882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.980882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.980882 (E_RNA) where: Base-Base interactions energy: -1312.341 where: short stacking energy: -546.654 Base-Backbone interact. energy: -3.833 local terms energy: -594.806843 where: bonds (distance) C4'-P energy: -115.639 bonds (distance) P-C4' energy: -119.681 flat angles C4'-P-C4' energy: -120.872 flat angles P-C4'-P energy: -86.260 tors. eta vs tors. theta energy: -152.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1851.096359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.096359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.096359 (E_RNA) where: Base-Base interactions energy: -1257.819 where: short stacking energy: -531.703 Base-Backbone interact. energy: -2.524 local terms energy: -590.752880 where: bonds (distance) C4'-P energy: -118.057 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -136.932 flat angles P-C4'-P energy: -88.620 tors. eta vs tors. theta energy: -147.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1641.078503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.078503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.078503 (E_RNA) where: Base-Base interactions energy: -1088.828 where: short stacking energy: -451.941 Base-Backbone interact. energy: -1.516 local terms energy: -550.734658 where: bonds (distance) C4'-P energy: -106.602 bonds (distance) P-C4' energy: -116.885 flat angles C4'-P-C4' energy: -135.146 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -117.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1358.054345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.054345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.054345 (E_RNA) where: Base-Base interactions energy: -862.134 where: short stacking energy: -388.801 Base-Backbone interact. energy: 0.671 local terms energy: -496.591451 where: bonds (distance) C4'-P energy: -107.551 bonds (distance) P-C4' energy: -101.619 flat angles C4'-P-C4' energy: -129.085 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -81.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1078.351585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.351585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.351585 (E_RNA) where: Base-Base interactions energy: -679.732 where: short stacking energy: -341.085 Base-Backbone interact. energy: 1.256 local terms energy: -399.875513 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -90.111 flat angles C4'-P-C4' energy: -104.649 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -50.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -707.120425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.120425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.120425 (E_RNA) where: Base-Base interactions energy: -339.225 where: short stacking energy: -199.548 Base-Backbone interact. energy: 0.733 local terms energy: -368.627798 where: bonds (distance) C4'-P energy: -103.501 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -90.765 flat angles P-C4'-P energy: -57.018 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -478.702381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.702381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.702381 (E_RNA) where: Base-Base interactions energy: -171.052 where: short stacking energy: -143.807 Base-Backbone interact. energy: -1.221 local terms energy: -306.429355 where: bonds (distance) C4'-P energy: -111.188 bonds (distance) P-C4' energy: -98.811 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: 19.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2216.931354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.931354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.931354 (E_RNA) where: Base-Base interactions energy: -1534.634 where: short stacking energy: -657.780 Base-Backbone interact. energy: -0.412 local terms energy: -681.885153 where: bonds (distance) C4'-P energy: -114.320 bonds (distance) P-C4' energy: -117.333 flat angles C4'-P-C4' energy: -153.405 flat angles P-C4'-P energy: -107.750 tors. eta vs tors. theta energy: -189.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2112.330721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.330721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.330721 (E_RNA) where: Base-Base interactions energy: -1473.061 where: short stacking energy: -588.569 Base-Backbone interact. energy: -6.918 local terms energy: -632.351947 where: bonds (distance) C4'-P energy: -118.285 bonds (distance) P-C4' energy: -114.393 flat angles C4'-P-C4' energy: -147.486 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -167.494 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: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2022.110932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.110932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.110932 (E_RNA) where: Base-Base interactions energy: -1402.606 where: short stacking energy: -602.289 Base-Backbone interact. energy: -0.519 local terms energy: -618.985838 where: bonds (distance) C4'-P energy: -120.890 bonds (distance) P-C4' energy: -112.030 flat angles C4'-P-C4' energy: -125.960 flat angles P-C4'-P energy: -88.421 tors. eta vs tors. theta energy: -171.685 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: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1925.846033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.846033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.846033 (E_RNA) where: Base-Base interactions energy: -1303.556 where: short stacking energy: -555.282 Base-Backbone interact. energy: -5.177 local terms energy: -617.112526 where: bonds (distance) C4'-P energy: -115.832 bonds (distance) P-C4' energy: -109.507 flat angles C4'-P-C4' energy: -143.386 flat angles P-C4'-P energy: -90.464 tors. eta vs tors. theta energy: -157.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1841.309467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.309467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.309467 (E_RNA) where: Base-Base interactions energy: -1253.644 where: short stacking energy: -542.575 Base-Backbone interact. energy: 0.324 local terms energy: -587.989538 where: bonds (distance) C4'-P energy: -109.566 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -153.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1649.463039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.463039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.463039 (E_RNA) where: Base-Base interactions energy: -1115.580 where: short stacking energy: -503.585 Base-Backbone interact. energy: 5.044 local terms energy: -538.927310 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -104.189 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -71.312 tors. eta vs tors. theta energy: -125.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1359.452895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.452895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.452895 (E_RNA) where: Base-Base interactions energy: -877.374 where: short stacking energy: -381.028 Base-Backbone interact. energy: -1.587 local terms energy: -480.491450 where: bonds (distance) C4'-P energy: -106.574 bonds (distance) P-C4' energy: -99.925 flat angles C4'-P-C4' energy: -120.478 flat angles P-C4'-P energy: -56.024 tors. eta vs tors. theta energy: -97.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1012.467962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.467962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.467962 (E_RNA) where: Base-Base interactions energy: -588.056 where: short stacking energy: -301.781 Base-Backbone interact. energy: -2.607 local terms energy: -421.805711 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -109.985 flat angles C4'-P-C4' energy: -106.763 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -37.641 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: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -672.499997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.499997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.499997 (E_RNA) where: Base-Base interactions energy: -334.026 where: short stacking energy: -219.968 Base-Backbone interact. energy: 0.275 local terms energy: -338.749392 where: bonds (distance) C4'-P energy: -97.009 bonds (distance) P-C4' energy: -106.439 flat angles C4'-P-C4' energy: -81.331 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: -17.223 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: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -467.363129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.363129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.363129 (E_RNA) where: Base-Base interactions energy: -167.626 where: short stacking energy: -135.353 Base-Backbone interact. energy: 0.984 local terms energy: -300.721935 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -96.651 flat angles C4'-P-C4' energy: -73.411 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: 30.674 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: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2181.579096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.579096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.579096 (E_RNA) where: Base-Base interactions energy: -1503.809 where: short stacking energy: -630.038 Base-Backbone interact. energy: -4.583 local terms energy: -673.187158 where: bonds (distance) C4'-P energy: -109.950 bonds (distance) P-C4' energy: -126.508 flat angles C4'-P-C4' energy: -149.757 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -190.760 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: 321 Temperature: 0.950000 Total energy: -2116.703283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.703283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.703283 (E_RNA) where: Base-Base interactions energy: -1469.478 where: short stacking energy: -597.463 Base-Backbone interact. energy: -3.128 local terms energy: -644.097006 where: bonds (distance) C4'-P energy: -126.593 bonds (distance) P-C4' energy: -108.565 flat angles C4'-P-C4' energy: -142.005 flat angles P-C4'-P energy: -93.223 tors. eta vs tors. theta energy: -173.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2010.088750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.088750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.088750 (E_RNA) where: Base-Base interactions energy: -1367.247 where: short stacking energy: -591.002 Base-Backbone interact. energy: -2.285 local terms energy: -640.556681 where: bonds (distance) C4'-P energy: -119.852 bonds (distance) P-C4' energy: -116.886 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -91.362 tors. eta vs tors. theta energy: -177.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1921.256730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.256730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.256730 (E_RNA) where: Base-Base interactions energy: -1325.476 where: short stacking energy: -570.513 Base-Backbone interact. energy: -1.855 local terms energy: -593.925727 where: bonds (distance) C4'-P energy: -104.538 bonds (distance) P-C4' energy: -116.581 flat angles C4'-P-C4' energy: -132.662 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: -154.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1828.536116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.536116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.536116 (E_RNA) where: Base-Base interactions energy: -1267.140 where: short stacking energy: -533.378 Base-Backbone interact. energy: 0.179 local terms energy: -561.575078 where: bonds (distance) C4'-P energy: -104.555 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -118.117 flat angles P-C4'-P energy: -82.758 tors. eta vs tors. theta energy: -136.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1660.497147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.497147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.497147 (E_RNA) where: Base-Base interactions energy: -1121.168 where: short stacking energy: -472.545 Base-Backbone interact. energy: -1.874 local terms energy: -537.455001 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -114.918 flat angles C4'-P-C4' energy: -111.023 flat angles P-C4'-P energy: -66.476 tors. eta vs tors. theta energy: -129.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1325.282280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.282280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.282280 (E_RNA) where: Base-Base interactions energy: -876.721 where: short stacking energy: -415.261 Base-Backbone interact. energy: -1.780 local terms energy: -446.781674 where: bonds (distance) C4'-P energy: -112.790 bonds (distance) P-C4' energy: -87.871 flat angles C4'-P-C4' energy: -98.191 flat angles P-C4'-P energy: -57.889 tors. eta vs tors. theta energy: -90.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1004.692029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.692029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.692029 (E_RNA) where: Base-Base interactions energy: -569.341 where: short stacking energy: -285.129 Base-Backbone interact. energy: 2.604 local terms energy: -437.954801 where: bonds (distance) C4'-P energy: -92.344 bonds (distance) P-C4' energy: -124.633 flat angles C4'-P-C4' energy: -116.165 flat angles P-C4'-P energy: -62.142 tors. eta vs tors. theta energy: -42.671 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: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -696.508370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.508370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.508370 (E_RNA) where: Base-Base interactions energy: -336.174 where: short stacking energy: -209.352 Base-Backbone interact. energy: 1.368 local terms energy: -361.701877 where: bonds (distance) C4'-P energy: -101.908 bonds (distance) P-C4' energy: -84.181 flat angles C4'-P-C4' energy: -101.529 flat angles P-C4'-P energy: -62.139 tors. eta vs tors. theta energy: -11.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -522.980393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.980393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.980393 (E_RNA) where: Base-Base interactions energy: -231.343 where: short stacking energy: -154.345 Base-Backbone interact. energy: -0.189 local terms energy: -291.448812 where: bonds (distance) C4'-P energy: -85.409 bonds (distance) P-C4' energy: -102.720 flat angles C4'-P-C4' energy: -91.151 flat angles P-C4'-P energy: -51.386 tors. eta vs tors. theta energy: 39.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2233.049802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.049802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.049802 (E_RNA) where: Base-Base interactions energy: -1547.400 where: short stacking energy: -658.027 Base-Backbone interact. energy: 0.280 local terms energy: -685.929543 where: bonds (distance) C4'-P energy: -132.884 bonds (distance) P-C4' energy: -120.335 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -102.275 tors. eta vs tors. theta energy: -188.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2088.900108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.900108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.900108 (E_RNA) where: Base-Base interactions energy: -1435.640 where: short stacking energy: -588.339 Base-Backbone interact. energy: -3.945 local terms energy: -649.314835 where: bonds (distance) C4'-P energy: -122.297 bonds (distance) P-C4' energy: -119.170 flat angles C4'-P-C4' energy: -138.070 flat angles P-C4'-P energy: -89.713 tors. eta vs tors. theta energy: -180.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2043.332148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.332148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.332148 (E_RNA) where: Base-Base interactions energy: -1425.063 where: short stacking energy: -561.652 Base-Backbone interact. energy: -4.439 local terms energy: -613.830819 where: bonds (distance) C4'-P energy: -105.821 bonds (distance) P-C4' energy: -120.670 flat angles C4'-P-C4' energy: -126.560 flat angles P-C4'-P energy: -90.462 tors. eta vs tors. theta energy: -170.317 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: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1947.132818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.132818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.132818 (E_RNA) where: Base-Base interactions energy: -1337.398 where: short stacking energy: -583.864 Base-Backbone interact. energy: 1.008 local terms energy: -610.742199 where: bonds (distance) C4'-P energy: -114.855 bonds (distance) P-C4' energy: -117.190 flat angles C4'-P-C4' energy: -138.218 flat angles P-C4'-P energy: -88.294 tors. eta vs tors. theta energy: -152.185 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: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1819.563496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.563496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.563496 (E_RNA) where: Base-Base interactions energy: -1223.825 where: short stacking energy: -517.442 Base-Backbone interact. energy: -1.387 local terms energy: -594.350829 where: bonds (distance) C4'-P energy: -121.576 bonds (distance) P-C4' energy: -119.125 flat angles C4'-P-C4' energy: -115.296 flat angles P-C4'-P energy: -87.441 tors. eta vs tors. theta energy: -150.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1578.501361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.501361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.501361 (E_RNA) where: Base-Base interactions energy: -1053.657 where: short stacking energy: -462.408 Base-Backbone interact. energy: -1.504 local terms energy: -523.340824 where: bonds (distance) C4'-P energy: -104.674 bonds (distance) P-C4' energy: -119.664 flat angles C4'-P-C4' energy: -115.724 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: -113.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1327.041620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.041620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.041620 (E_RNA) where: Base-Base interactions energy: -843.157 where: short stacking energy: -388.942 Base-Backbone interact. energy: 4.543 local terms energy: -488.428065 where: bonds (distance) C4'-P energy: -105.231 bonds (distance) P-C4' energy: -126.765 flat angles C4'-P-C4' energy: -109.552 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -85.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -998.769441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.769441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.769441 (E_RNA) where: Base-Base interactions energy: -592.143 where: short stacking energy: -291.273 Base-Backbone interact. energy: -2.140 local terms energy: -404.486280 where: bonds (distance) C4'-P energy: -88.690 bonds (distance) P-C4' energy: -117.751 flat angles C4'-P-C4' energy: -81.480 flat angles P-C4'-P energy: -67.892 tors. eta vs tors. theta energy: -48.673 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: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -671.010341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.010341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.010341 (E_RNA) where: Base-Base interactions energy: -352.344 where: short stacking energy: -212.394 Base-Backbone interact. energy: -0.405 local terms energy: -318.261007 where: bonds (distance) C4'-P energy: -95.467 bonds (distance) P-C4' energy: -112.314 flat angles C4'-P-C4' energy: -80.181 flat angles P-C4'-P energy: -33.232 tors. eta vs tors. theta energy: 2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -500.446089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.446089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.446089 (E_RNA) where: Base-Base interactions energy: -185.275 where: short stacking energy: -149.405 Base-Backbone interact. energy: 0.105 local terms energy: -315.276403 where: bonds (distance) C4'-P energy: -83.175 bonds (distance) P-C4' energy: -117.261 flat angles C4'-P-C4' energy: -95.753 flat angles P-C4'-P energy: -59.312 tors. eta vs tors. theta energy: 40.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2198.171201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.171201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.171201 (E_RNA) where: Base-Base interactions energy: -1505.005 where: short stacking energy: -656.462 Base-Backbone interact. energy: -5.608 local terms energy: -687.558188 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -126.426 flat angles C4'-P-C4' energy: -141.441 flat angles P-C4'-P energy: -101.151 tors. eta vs tors. theta energy: -195.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2116.701057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.701057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.701057 (E_RNA) where: Base-Base interactions energy: -1460.898 where: short stacking energy: -619.722 Base-Backbone interact. energy: -5.874 local terms energy: -649.928690 where: bonds (distance) C4'-P energy: -127.768 bonds (distance) P-C4' energy: -106.044 flat angles C4'-P-C4' energy: -142.606 flat angles P-C4'-P energy: -96.228 tors. eta vs tors. theta energy: -177.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2010.700937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.700937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.700937 (E_RNA) where: Base-Base interactions energy: -1382.241 where: short stacking energy: -596.368 Base-Backbone interact. energy: -3.846 local terms energy: -624.613760 where: bonds (distance) C4'-P energy: -126.712 bonds (distance) P-C4' energy: -126.285 flat angles C4'-P-C4' energy: -134.331 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -154.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1943.123885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.123885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.123885 (E_RNA) where: Base-Base interactions energy: -1343.615 where: short stacking energy: -566.708 Base-Backbone interact. energy: 0.833 local terms energy: -600.341686 where: bonds (distance) C4'-P energy: -129.438 bonds (distance) P-C4' energy: -119.630 flat angles C4'-P-C4' energy: -119.480 flat angles P-C4'-P energy: -81.166 tors. eta vs tors. theta energy: -150.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1770.977974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.977974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.977974 (E_RNA) where: Base-Base interactions energy: -1198.780 where: short stacking energy: -512.134 Base-Backbone interact. energy: -2.687 local terms energy: -569.511126 where: bonds (distance) C4'-P energy: -116.605 bonds (distance) P-C4' energy: -110.862 flat angles C4'-P-C4' energy: -121.560 flat angles P-C4'-P energy: -90.142 tors. eta vs tors. theta energy: -130.342 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: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1610.922320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.922320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.922320 (E_RNA) where: Base-Base interactions energy: -1035.578 where: short stacking energy: -450.485 Base-Backbone interact. energy: 0.251 local terms energy: -575.596064 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -119.167 flat angles C4'-P-C4' energy: -120.338 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -129.445 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: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1274.752874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.752874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.752874 (E_RNA) where: Base-Base interactions energy: -794.571 where: short stacking energy: -370.389 Base-Backbone interact. energy: -3.853 local terms energy: -476.329404 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -99.509 flat angles P-C4'-P energy: -75.747 tors. eta vs tors. theta energy: -82.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -981.327761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.327761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.327761 (E_RNA) where: Base-Base interactions energy: -585.905 where: short stacking energy: -267.014 Base-Backbone interact. energy: -3.436 local terms energy: -391.986988 where: bonds (distance) C4'-P energy: -94.553 bonds (distance) P-C4' energy: -92.678 flat angles C4'-P-C4' energy: -123.802 flat angles P-C4'-P energy: -48.604 tors. eta vs tors. theta energy: -32.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -656.525404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.525404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.525404 (E_RNA) where: Base-Base interactions energy: -310.325 where: short stacking energy: -190.196 Base-Backbone interact. energy: 1.803 local terms energy: -348.003004 where: bonds (distance) C4'-P energy: -118.806 bonds (distance) P-C4' energy: -87.554 flat angles C4'-P-C4' energy: -99.943 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: 10.235 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: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -509.400376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.400376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.400376 (E_RNA) where: Base-Base interactions energy: -198.851 where: short stacking energy: -160.527 Base-Backbone interact. energy: 3.150 local terms energy: -313.699376 where: bonds (distance) C4'-P energy: -92.774 bonds (distance) P-C4' energy: -124.316 flat angles C4'-P-C4' energy: -66.050 flat angles P-C4'-P energy: -34.982 tors. eta vs tors. theta energy: 4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2200.037431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.037431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.037431 (E_RNA) where: Base-Base interactions energy: -1529.088 where: short stacking energy: -640.564 Base-Backbone interact. energy: 2.632 local terms energy: -673.582220 where: bonds (distance) C4'-P energy: -124.896 bonds (distance) P-C4' energy: -123.782 flat angles C4'-P-C4' energy: -137.746 flat angles P-C4'-P energy: -99.851 tors. eta vs tors. theta energy: -187.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2144.709209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.709209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.709209 (E_RNA) where: Base-Base interactions energy: -1488.578 where: short stacking energy: -611.887 Base-Backbone interact. energy: -3.511 local terms energy: -652.620830 where: bonds (distance) C4'-P energy: -125.552 bonds (distance) P-C4' energy: -129.847 flat angles C4'-P-C4' energy: -127.203 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -179.308 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: 324 Temperature: 1.000000 Total energy: -2000.059878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.059878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.059878 (E_RNA) where: Base-Base interactions energy: -1365.337 where: short stacking energy: -599.037 Base-Backbone interact. energy: 0.908 local terms energy: -635.630713 where: bonds (distance) C4'-P energy: -128.427 bonds (distance) P-C4' energy: -124.422 flat angles C4'-P-C4' energy: -133.712 flat angles P-C4'-P energy: -82.443 tors. eta vs tors. theta energy: -166.626 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: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1918.925180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.925180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.925180 (E_RNA) where: Base-Base interactions energy: -1319.941 where: short stacking energy: -544.743 Base-Backbone interact. energy: -4.249 local terms energy: -594.734360 where: bonds (distance) C4'-P energy: -118.682 bonds (distance) P-C4' energy: -113.002 flat angles C4'-P-C4' energy: -117.764 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -154.907 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: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1828.833789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.833789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.833789 (E_RNA) where: Base-Base interactions energy: -1252.528 where: short stacking energy: -546.032 Base-Backbone interact. energy: -5.019 local terms energy: -571.286397 where: bonds (distance) C4'-P energy: -114.294 bonds (distance) P-C4' energy: -113.283 flat angles C4'-P-C4' energy: -119.063 flat angles P-C4'-P energy: -83.237 tors. eta vs tors. theta energy: -141.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1559.690304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.690304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.690304 (E_RNA) where: Base-Base interactions energy: -1039.751 where: short stacking energy: -458.850 Base-Backbone interact. energy: -2.625 local terms energy: -517.314263 where: bonds (distance) C4'-P energy: -110.219 bonds (distance) P-C4' energy: -99.778 flat angles C4'-P-C4' energy: -111.384 flat angles P-C4'-P energy: -84.100 tors. eta vs tors. theta energy: -111.834 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: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1356.277180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.277180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.277180 (E_RNA) where: Base-Base interactions energy: -865.780 where: short stacking energy: -376.632 Base-Backbone interact. energy: -2.156 local terms energy: -488.340884 where: bonds (distance) C4'-P energy: -106.217 bonds (distance) P-C4' energy: -104.241 flat angles C4'-P-C4' energy: -117.027 flat angles P-C4'-P energy: -80.612 tors. eta vs tors. theta energy: -80.243 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: 324 Temperature: 1.250000 Total energy: -941.467779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.467779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.467779 (E_RNA) where: Base-Base interactions energy: -564.245 where: short stacking energy: -274.453 Base-Backbone interact. energy: 3.756 local terms energy: -380.979107 where: bonds (distance) C4'-P energy: -91.229 bonds (distance) P-C4' energy: -116.949 flat angles C4'-P-C4' energy: -85.820 flat angles P-C4'-P energy: -56.976 tors. eta vs tors. theta energy: -30.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -630.146019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.146019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.146019 (E_RNA) where: Base-Base interactions energy: -265.479 where: short stacking energy: -188.805 Base-Backbone interact. energy: 2.402 local terms energy: -367.069815 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -105.836 flat angles C4'-P-C4' energy: -96.515 flat angles P-C4'-P energy: -60.753 tors. eta vs tors. theta energy: -0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -487.233909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.233909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.233909 (E_RNA) where: Base-Base interactions energy: -167.486 where: short stacking energy: -151.992 Base-Backbone interact. energy: -2.359 local terms energy: -317.388475 where: bonds (distance) C4'-P energy: -95.185 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -82.515 flat angles P-C4'-P energy: -39.590 tors. eta vs tors. theta energy: 17.429 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: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2207.949460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.949460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.949460 (E_RNA) where: Base-Base interactions energy: -1526.897 where: short stacking energy: -655.521 Base-Backbone interact. energy: -2.355 local terms energy: -678.698209 where: bonds (distance) C4'-P energy: -124.865 bonds (distance) P-C4' energy: -126.713 flat angles C4'-P-C4' energy: -142.808 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -191.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2133.441385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.441385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.441385 (E_RNA) where: Base-Base interactions energy: -1461.117 where: short stacking energy: -608.640 Base-Backbone interact. energy: -5.879 local terms energy: -666.445578 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -111.604 flat angles C4'-P-C4' energy: -140.513 flat angles P-C4'-P energy: -97.762 tors. eta vs tors. theta energy: -191.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1992.285669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.285669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.285669 (E_RNA) where: Base-Base interactions energy: -1344.188 where: short stacking energy: -568.928 Base-Backbone interact. energy: -6.497 local terms energy: -641.600327 where: bonds (distance) C4'-P energy: -122.399 bonds (distance) P-C4' energy: -124.058 flat angles C4'-P-C4' energy: -142.942 flat angles P-C4'-P energy: -92.072 tors. eta vs tors. theta energy: -160.129 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: 325 Temperature: 1.050000 Total energy: -1931.358694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.358694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.358694 (E_RNA) where: Base-Base interactions energy: -1334.268 where: short stacking energy: -565.053 Base-Backbone interact. energy: -2.622 local terms energy: -594.467886 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -104.791 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -89.592 tors. eta vs tors. theta energy: -159.716 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: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1766.610112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.610112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.610112 (E_RNA) where: Base-Base interactions energy: -1186.865 where: short stacking energy: -513.553 Base-Backbone interact. energy: -2.219 local terms energy: -577.525379 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -112.459 flat angles C4'-P-C4' energy: -122.714 flat angles P-C4'-P energy: -82.815 tors. eta vs tors. theta energy: -144.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1572.132901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.132901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.132901 (E_RNA) where: Base-Base interactions energy: -1072.586 where: short stacking energy: -489.417 Base-Backbone interact. energy: -2.160 local terms energy: -497.386499 where: bonds (distance) C4'-P energy: -94.243 bonds (distance) P-C4' energy: -113.560 flat angles C4'-P-C4' energy: -91.062 flat angles P-C4'-P energy: -75.200 tors. eta vs tors. theta energy: -123.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1372.529165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.529165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.529165 (E_RNA) where: Base-Base interactions energy: -882.785 where: short stacking energy: -386.614 Base-Backbone interact. energy: 0.971 local terms energy: -490.715447 where: bonds (distance) C4'-P energy: -97.021 bonds (distance) P-C4' energy: -105.512 flat angles C4'-P-C4' energy: -109.351 flat angles P-C4'-P energy: -72.460 tors. eta vs tors. theta energy: -106.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1054.833900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.833900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.833900 (E_RNA) where: Base-Base interactions energy: -638.427 where: short stacking energy: -309.433 Base-Backbone interact. energy: 3.885 local terms energy: -420.292691 where: bonds (distance) C4'-P energy: -107.473 bonds (distance) P-C4' energy: -114.663 flat angles C4'-P-C4' energy: -93.686 flat angles P-C4'-P energy: -64.099 tors. eta vs tors. theta energy: -40.371 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: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -669.608737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.608737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.608737 (E_RNA) where: Base-Base interactions energy: -316.322 where: short stacking energy: -193.989 Base-Backbone interact. energy: -2.105 local terms energy: -351.181388 where: bonds (distance) C4'-P energy: -84.061 bonds (distance) P-C4' energy: -113.480 flat angles C4'-P-C4' energy: -101.319 flat angles P-C4'-P energy: -56.403 tors. eta vs tors. theta energy: 4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -501.905920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.905920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.905920 (E_RNA) where: Base-Base interactions energy: -190.167 where: short stacking energy: -140.004 Base-Backbone interact. energy: -1.666 local terms energy: -310.072721 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -103.497 flat angles C4'-P-C4' energy: -88.830 flat angles P-C4'-P energy: -58.422 tors. eta vs tors. theta energy: 34.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2209.311526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.311526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.311526 (E_RNA) where: Base-Base interactions energy: -1526.724 where: short stacking energy: -649.528 Base-Backbone interact. energy: -3.994 local terms energy: -678.593616 where: bonds (distance) C4'-P energy: -127.611 bonds (distance) P-C4' energy: -133.752 flat angles C4'-P-C4' energy: -143.315 flat angles P-C4'-P energy: -83.756 tors. eta vs tors. theta energy: -190.160 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: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2099.432932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.432932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.432932 (E_RNA) where: Base-Base interactions energy: -1464.864 where: short stacking energy: -614.151 Base-Backbone interact. energy: -4.048 local terms energy: -630.521649 where: bonds (distance) C4'-P energy: -114.382 bonds (distance) P-C4' energy: -110.585 flat angles C4'-P-C4' energy: -133.672 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -170.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2037.195982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.195982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.195982 (E_RNA) where: Base-Base interactions energy: -1400.433 where: short stacking energy: -586.516 Base-Backbone interact. energy: 0.116 local terms energy: -636.878723 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -116.941 flat angles C4'-P-C4' energy: -143.689 flat angles P-C4'-P energy: -97.157 tors. eta vs tors. theta energy: -163.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1920.760207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.760207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.760207 (E_RNA) where: Base-Base interactions energy: -1331.155 where: short stacking energy: -543.998 Base-Backbone interact. energy: 1.568 local terms energy: -591.173119 where: bonds (distance) C4'-P energy: -117.146 bonds (distance) P-C4' energy: -113.726 flat angles C4'-P-C4' energy: -121.096 flat angles P-C4'-P energy: -86.681 tors. eta vs tors. theta energy: -152.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1717.831423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.831423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.831423 (E_RNA) where: Base-Base interactions energy: -1150.466 where: short stacking energy: -502.426 Base-Backbone interact. energy: -3.340 local terms energy: -564.025926 where: bonds (distance) C4'-P energy: -115.708 bonds (distance) P-C4' energy: -118.434 flat angles C4'-P-C4' energy: -139.062 flat angles P-C4'-P energy: -73.036 tors. eta vs tors. theta energy: -117.786 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1644.273463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.273463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.273463 (E_RNA) where: Base-Base interactions energy: -1101.233 where: short stacking energy: -499.191 Base-Backbone interact. energy: -2.445 local terms energy: -540.595707 where: bonds (distance) C4'-P energy: -112.197 bonds (distance) P-C4' energy: -96.070 flat angles C4'-P-C4' energy: -118.282 flat angles P-C4'-P energy: -71.200 tors. eta vs tors. theta energy: -142.847 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: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1374.131716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.131716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.131716 (E_RNA) where: Base-Base interactions energy: -891.024 where: short stacking energy: -395.843 Base-Backbone interact. energy: 1.349 local terms energy: -484.456207 where: bonds (distance) C4'-P energy: -105.843 bonds (distance) P-C4' energy: -99.917 flat angles C4'-P-C4' energy: -116.381 flat angles P-C4'-P energy: -69.338 tors. eta vs tors. theta energy: -92.978 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -991.845095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.845095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.845095 (E_RNA) where: Base-Base interactions energy: -577.597 where: short stacking energy: -281.206 Base-Backbone interact. energy: -1.707 local terms energy: -412.541134 where: bonds (distance) C4'-P energy: -111.324 bonds (distance) P-C4' energy: -90.014 flat angles C4'-P-C4' energy: -102.802 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -46.396 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: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -641.072098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.072098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.072098 (E_RNA) where: Base-Base interactions energy: -279.755 where: short stacking energy: -200.790 Base-Backbone interact. energy: 0.516 local terms energy: -361.833144 where: bonds (distance) C4'-P energy: -111.097 bonds (distance) P-C4' energy: -104.352 flat angles C4'-P-C4' energy: -88.373 flat angles P-C4'-P energy: -56.032 tors. eta vs tors. theta energy: -1.979 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: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -499.081527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.081527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.081527 (E_RNA) where: Base-Base interactions energy: -179.483 where: short stacking energy: -150.803 Base-Backbone interact. energy: 0.242 local terms energy: -319.840079 where: bonds (distance) C4'-P energy: -101.973 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -83.119 flat angles P-C4'-P energy: -46.140 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: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2223.228269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.228269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.228269 (E_RNA) where: Base-Base interactions energy: -1523.575 where: short stacking energy: -662.349 Base-Backbone interact. energy: -4.625 local terms energy: -695.028329 where: bonds (distance) C4'-P energy: -124.790 bonds (distance) P-C4' energy: -126.473 flat angles C4'-P-C4' energy: -149.122 flat angles P-C4'-P energy: -95.809 tors. eta vs tors. theta energy: -198.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2111.408611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.408611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.408611 (E_RNA) where: Base-Base interactions energy: -1443.827 where: short stacking energy: -598.301 Base-Backbone interact. energy: -4.771 local terms energy: -662.810619 where: bonds (distance) C4'-P energy: -126.637 bonds (distance) P-C4' energy: -144.943 flat angles C4'-P-C4' energy: -120.419 flat angles P-C4'-P energy: -91.273 tors. eta vs tors. theta energy: -179.538 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: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2026.644912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.644912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.644912 (E_RNA) where: Base-Base interactions energy: -1425.464 where: short stacking energy: -585.767 Base-Backbone interact. energy: -4.984 local terms energy: -596.197059 where: bonds (distance) C4'-P energy: -106.803 bonds (distance) P-C4' energy: -109.631 flat angles C4'-P-C4' energy: -135.930 flat angles P-C4'-P energy: -93.888 tors. eta vs tors. theta energy: -149.944 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: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1963.412812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.412812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.412812 (E_RNA) where: Base-Base interactions energy: -1349.427 where: short stacking energy: -582.487 Base-Backbone interact. energy: -2.509 local terms energy: -611.477086 where: bonds (distance) C4'-P energy: -119.098 bonds (distance) P-C4' energy: -105.592 flat angles C4'-P-C4' energy: -127.985 flat angles P-C4'-P energy: -82.516 tors. eta vs tors. theta energy: -176.286 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: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1706.886070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.886070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.886070 (E_RNA) where: Base-Base interactions energy: -1152.874 where: short stacking energy: -500.082 Base-Backbone interact. energy: 2.546 local terms energy: -556.558664 where: bonds (distance) C4'-P energy: -119.096 bonds (distance) P-C4' energy: -108.633 flat angles C4'-P-C4' energy: -109.310 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -131.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1406.923467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.923467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.923467 (E_RNA) where: Base-Base interactions energy: -902.430 where: short stacking energy: -420.629 Base-Backbone interact. energy: -2.951 local terms energy: -501.542721 where: bonds (distance) C4'-P energy: -104.504 bonds (distance) P-C4' energy: -100.812 flat angles C4'-P-C4' energy: -116.006 flat angles P-C4'-P energy: -80.359 tors. eta vs tors. theta energy: -99.861 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1520.074405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.074405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.074405 (E_RNA) where: Base-Base interactions energy: -1030.703 where: short stacking energy: -448.121 Base-Backbone interact. energy: 0.194 local terms energy: -489.565484 where: bonds (distance) C4'-P energy: -102.655 bonds (distance) P-C4' energy: -104.739 flat angles C4'-P-C4' energy: -109.694 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -108.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -918.878224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.878224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.878224 (E_RNA) where: Base-Base interactions energy: -514.996 where: short stacking energy: -265.324 Base-Backbone interact. energy: 1.990 local terms energy: -405.871985 where: bonds (distance) C4'-P energy: -102.010 bonds (distance) P-C4' energy: -100.789 flat angles C4'-P-C4' energy: -111.536 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -29.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -708.919776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.919776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.919776 (E_RNA) where: Base-Base interactions energy: -350.066 where: short stacking energy: -182.142 Base-Backbone interact. energy: 1.950 local terms energy: -360.803600 where: bonds (distance) C4'-P energy: -104.399 bonds (distance) P-C4' energy: -101.460 flat angles C4'-P-C4' energy: -97.165 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: 3.046 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: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -498.529773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.529773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.529773 (E_RNA) where: Base-Base interactions energy: -185.123 where: short stacking energy: -139.965 Base-Backbone interact. energy: -2.731 local terms energy: -310.675516 where: bonds (distance) C4'-P energy: -100.800 bonds (distance) P-C4' energy: -110.702 flat angles C4'-P-C4' energy: -81.613 flat angles P-C4'-P energy: -34.816 tors. eta vs tors. theta energy: 17.256 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: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2199.902726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.902726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.902726 (E_RNA) where: Base-Base interactions energy: -1512.601 where: short stacking energy: -661.563 Base-Backbone interact. energy: -2.336 local terms energy: -684.965666 where: bonds (distance) C4'-P energy: -129.578 bonds (distance) P-C4' energy: -124.774 flat angles C4'-P-C4' energy: -134.068 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -209.016 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: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2140.395448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.395448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.395448 (E_RNA) where: Base-Base interactions energy: -1470.861 where: short stacking energy: -619.216 Base-Backbone interact. energy: -2.446 local terms energy: -667.088581 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -123.176 flat angles C4'-P-C4' energy: -148.482 flat angles P-C4'-P energy: -85.267 tors. eta vs tors. theta energy: -189.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2010.070666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.070666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.070666 (E_RNA) where: Base-Base interactions energy: -1393.542 where: short stacking energy: -558.450 Base-Backbone interact. energy: -3.409 local terms energy: -613.119515 where: bonds (distance) C4'-P energy: -113.634 bonds (distance) P-C4' energy: -123.255 flat angles C4'-P-C4' energy: -138.287 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -157.390 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: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1937.280887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.280887 (E_RNA) where: Base-Base interactions energy: -1319.042 where: short stacking energy: -577.619 Base-Backbone interact. energy: -0.686 local terms energy: -617.553138 where: bonds (distance) C4'-P energy: -110.577 bonds (distance) P-C4' energy: -113.197 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -88.309 tors. eta vs tors. theta energy: -168.847 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: 328 Temperature: 1.100000 Total energy: -1748.117853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.117853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.117853 (E_RNA) where: Base-Base interactions energy: -1195.322 where: short stacking energy: -502.867 Base-Backbone interact. energy: 0.020 local terms energy: -552.816154 where: bonds (distance) C4'-P energy: -93.245 bonds (distance) P-C4' energy: -129.001 flat angles C4'-P-C4' energy: -118.115 flat angles P-C4'-P energy: -78.469 tors. eta vs tors. theta energy: -133.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1378.918758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.918758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.918758 (E_RNA) where: Base-Base interactions energy: -892.964 where: short stacking energy: -395.701 Base-Backbone interact. energy: -1.619 local terms energy: -484.335288 where: bonds (distance) C4'-P energy: -100.129 bonds (distance) P-C4' energy: -116.770 flat angles C4'-P-C4' energy: -99.871 flat angles P-C4'-P energy: -74.236 tors. eta vs tors. theta energy: -93.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1569.145038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.145038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.145038 (E_RNA) where: Base-Base interactions energy: -1013.372 where: short stacking energy: -452.043 Base-Backbone interact. energy: -1.383 local terms energy: -554.390019 where: bonds (distance) C4'-P energy: -105.898 bonds (distance) P-C4' energy: -103.676 flat angles C4'-P-C4' energy: -128.630 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -126.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -992.792616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.792616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.792616 (E_RNA) where: Base-Base interactions energy: -602.967 where: short stacking energy: -280.553 Base-Backbone interact. energy: -1.888 local terms energy: -387.937007 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -113.322 flat angles C4'-P-C4' energy: -94.470 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -34.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -709.623305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.623305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.623305 (E_RNA) where: Base-Base interactions energy: -336.808 where: short stacking energy: -231.274 Base-Backbone interact. energy: 0.392 local terms energy: -373.206879 where: bonds (distance) C4'-P energy: -116.998 bonds (distance) P-C4' energy: -105.933 flat angles C4'-P-C4' energy: -67.458 flat angles P-C4'-P energy: -63.668 tors. eta vs tors. theta energy: -19.150 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: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -502.133681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.133681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.133681 (E_RNA) where: Base-Base interactions energy: -198.578 where: short stacking energy: -182.420 Base-Backbone interact. energy: -1.000 local terms energy: -302.555615 where: bonds (distance) C4'-P energy: -90.379 bonds (distance) P-C4' energy: -106.726 flat angles C4'-P-C4' energy: -70.005 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: 6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2231.344495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.344495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.344495 (E_RNA) where: Base-Base interactions energy: -1540.196 where: short stacking energy: -671.620 Base-Backbone interact. energy: -1.674 local terms energy: -689.473713 where: bonds (distance) C4'-P energy: -122.316 bonds (distance) P-C4' energy: -124.339 flat angles C4'-P-C4' energy: -141.086 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -205.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2110.468467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.468467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.468467 (E_RNA) where: Base-Base interactions energy: -1448.556 where: short stacking energy: -584.656 Base-Backbone interact. energy: -6.108 local terms energy: -655.804610 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -123.007 flat angles C4'-P-C4' energy: -128.187 flat angles P-C4'-P energy: -97.239 tors. eta vs tors. theta energy: -184.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2024.173040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.173040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.173040 (E_RNA) where: Base-Base interactions energy: -1398.362 where: short stacking energy: -579.174 Base-Backbone interact. energy: -2.933 local terms energy: -622.878545 where: bonds (distance) C4'-P energy: -110.688 bonds (distance) P-C4' energy: -132.551 flat angles C4'-P-C4' energy: -125.087 flat angles P-C4'-P energy: -89.306 tors. eta vs tors. theta energy: -165.246 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: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1911.330373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.330373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.330373 (E_RNA) where: Base-Base interactions energy: -1296.882 where: short stacking energy: -554.325 Base-Backbone interact. energy: -1.830 local terms energy: -612.618393 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -97.964 flat angles C4'-P-C4' energy: -139.049 flat angles P-C4'-P energy: -90.199 tors. eta vs tors. theta energy: -155.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1739.211293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.211293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.211293 (E_RNA) where: Base-Base interactions energy: -1214.733 where: short stacking energy: -494.099 Base-Backbone interact. energy: -3.251 local terms energy: -521.227349 where: bonds (distance) C4'-P energy: -99.543 bonds (distance) P-C4' energy: -118.889 flat angles C4'-P-C4' energy: -117.387 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -116.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1612.716576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.716576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.716576 (E_RNA) where: Base-Base interactions energy: -1061.875 where: short stacking energy: -483.038 Base-Backbone interact. energy: -2.488 local terms energy: -548.353342 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -132.023 flat angles P-C4'-P energy: -66.206 tors. eta vs tors. theta energy: -136.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1337.889205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.889205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.889205 (E_RNA) where: Base-Base interactions energy: -870.262 where: short stacking energy: -385.506 Base-Backbone interact. energy: -3.077 local terms energy: -464.549956 where: bonds (distance) C4'-P energy: -86.660 bonds (distance) P-C4' energy: -104.979 flat angles C4'-P-C4' energy: -101.736 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -90.415 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: 329 Temperature: 1.250000 Total energy: -1012.313614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.313614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.313614 (E_RNA) where: Base-Base interactions energy: -617.606 where: short stacking energy: -274.997 Base-Backbone interact. energy: 0.249 local terms energy: -394.956961 where: bonds (distance) C4'-P energy: -93.570 bonds (distance) P-C4' energy: -107.809 flat angles C4'-P-C4' energy: -104.732 flat angles P-C4'-P energy: -39.540 tors. eta vs tors. theta energy: -49.306 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: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -716.178052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.178052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.178052 (E_RNA) where: Base-Base interactions energy: -368.917 where: short stacking energy: -200.135 Base-Backbone interact. energy: -2.391 local terms energy: -344.870164 where: bonds (distance) C4'-P energy: -102.568 bonds (distance) P-C4' energy: -107.098 flat angles C4'-P-C4' energy: -90.400 flat angles P-C4'-P energy: -55.221 tors. eta vs tors. theta energy: 10.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -521.347835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.347835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.347835 (E_RNA) where: Base-Base interactions energy: -195.743 where: short stacking energy: -142.119 Base-Backbone interact. energy: -3.766 local terms energy: -321.838724 where: bonds (distance) C4'-P energy: -88.206 bonds (distance) P-C4' energy: -105.817 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: 23.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2208.010771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.010771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.010771 (E_RNA) where: Base-Base interactions energy: -1521.715 where: short stacking energy: -655.273 Base-Backbone interact. energy: -2.557 local terms energy: -683.738750 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -141.213 flat angles P-C4'-P energy: -88.717 tors. eta vs tors. theta energy: -205.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2109.234999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.234999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.234999 (E_RNA) where: Base-Base interactions energy: -1454.279 where: short stacking energy: -616.412 Base-Backbone interact. energy: -5.373 local terms energy: -649.583021 where: bonds (distance) C4'-P energy: -109.469 bonds (distance) P-C4' energy: -124.580 flat angles C4'-P-C4' energy: -143.892 flat angles P-C4'-P energy: -90.051 tors. eta vs tors. theta energy: -181.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2021.082784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.082784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.082784 (E_RNA) where: Base-Base interactions energy: -1393.154 where: short stacking energy: -581.073 Base-Backbone interact. energy: -2.855 local terms energy: -625.073254 where: bonds (distance) C4'-P energy: -110.158 bonds (distance) P-C4' energy: -113.933 flat angles C4'-P-C4' energy: -148.933 flat angles P-C4'-P energy: -82.916 tors. eta vs tors. theta energy: -169.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1892.519737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.519737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.519737 (E_RNA) where: Base-Base interactions energy: -1320.695 where: short stacking energy: -536.426 Base-Backbone interact. energy: -4.298 local terms energy: -567.526754 where: bonds (distance) C4'-P energy: -112.280 bonds (distance) P-C4' energy: -109.269 flat angles C4'-P-C4' energy: -124.253 flat angles P-C4'-P energy: -76.959 tors. eta vs tors. theta energy: -144.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1752.453687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.453687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.453687 (E_RNA) where: Base-Base interactions energy: -1195.142 where: short stacking energy: -521.286 Base-Backbone interact. energy: -3.696 local terms energy: -553.615463 where: bonds (distance) C4'-P energy: -100.372 bonds (distance) P-C4' energy: -108.217 flat angles C4'-P-C4' energy: -130.032 flat angles P-C4'-P energy: -76.125 tors. eta vs tors. theta energy: -138.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1673.280718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.280718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.280718 (E_RNA) where: Base-Base interactions energy: -1113.307 where: short stacking energy: -485.604 Base-Backbone interact. energy: 1.264 local terms energy: -561.237159 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -115.573 flat angles C4'-P-C4' energy: -126.997 flat angles P-C4'-P energy: -75.923 tors. eta vs tors. theta energy: -138.702 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: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1386.970566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.970566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.970566 (E_RNA) where: Base-Base interactions energy: -887.467 where: short stacking energy: -417.250 Base-Backbone interact. energy: 0.177 local terms energy: -499.680510 where: bonds (distance) C4'-P energy: -91.694 bonds (distance) P-C4' energy: -110.231 flat angles C4'-P-C4' energy: -134.069 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -98.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -973.553102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.553102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.553102 (E_RNA) where: Base-Base interactions energy: -571.969 where: short stacking energy: -263.685 Base-Backbone interact. energy: -3.215 local terms energy: -398.369049 where: bonds (distance) C4'-P energy: -100.250 bonds (distance) P-C4' energy: -100.832 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -36.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -687.140002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.140002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.140002 (E_RNA) where: Base-Base interactions energy: -329.587 where: short stacking energy: -182.917 Base-Backbone interact. energy: 3.575 local terms energy: -361.128272 where: bonds (distance) C4'-P energy: -78.502 bonds (distance) P-C4' energy: -107.728 flat angles C4'-P-C4' energy: -95.916 flat angles P-C4'-P energy: -67.830 tors. eta vs tors. theta energy: -11.153 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: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -496.646299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.646299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.646299 (E_RNA) where: Base-Base interactions energy: -186.126 where: short stacking energy: -135.942 Base-Backbone interact. energy: 6.376 local terms energy: -316.895889 where: bonds (distance) C4'-P energy: -89.252 bonds (distance) P-C4' energy: -122.442 flat angles C4'-P-C4' energy: -91.900 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: 23.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2182.846192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.846192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.846192 (E_RNA) where: Base-Base interactions energy: -1496.032 where: short stacking energy: -679.077 Base-Backbone interact. energy: -1.982 local terms energy: -684.832620 where: bonds (distance) C4'-P energy: -124.320 bonds (distance) P-C4' energy: -132.093 flat angles C4'-P-C4' energy: -139.342 flat angles P-C4'-P energy: -88.300 tors. eta vs tors. theta energy: -200.777 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: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2110.682670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.682670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.682670 (E_RNA) where: Base-Base interactions energy: -1471.103 where: short stacking energy: -588.954 Base-Backbone interact. energy: -2.610 local terms energy: -636.969793 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -116.064 flat angles C4'-P-C4' energy: -128.921 flat angles P-C4'-P energy: -99.772 tors. eta vs tors. theta energy: -177.133 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: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2008.686467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.686467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.686467 (E_RNA) where: Base-Base interactions energy: -1390.927 where: short stacking energy: -604.097 Base-Backbone interact. energy: -3.470 local terms energy: -614.288991 where: bonds (distance) C4'-P energy: -118.623 bonds (distance) P-C4' energy: -112.009 flat angles C4'-P-C4' energy: -138.298 flat angles P-C4'-P energy: -88.638 tors. eta vs tors. theta energy: -156.720 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: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1897.557721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.557721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.557721 (E_RNA) where: Base-Base interactions energy: -1294.754 where: short stacking energy: -550.678 Base-Backbone interact. energy: -4.281 local terms energy: -598.522609 where: bonds (distance) C4'-P energy: -110.194 bonds (distance) P-C4' energy: -115.892 flat angles C4'-P-C4' energy: -134.863 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -151.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1735.907193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.907193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.907193 (E_RNA) where: Base-Base interactions energy: -1166.239 where: short stacking energy: -512.353 Base-Backbone interact. energy: -0.463 local terms energy: -569.205072 where: bonds (distance) C4'-P energy: -125.247 bonds (distance) P-C4' energy: -121.260 flat angles C4'-P-C4' energy: -114.443 flat angles P-C4'-P energy: -62.329 tors. eta vs tors. theta energy: -145.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1657.922525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.922525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.922525 (E_RNA) where: Base-Base interactions energy: -1096.714 where: short stacking energy: -470.651 Base-Backbone interact. energy: -2.332 local terms energy: -558.876651 where: bonds (distance) C4'-P energy: -99.304 bonds (distance) P-C4' energy: -116.579 flat angles C4'-P-C4' energy: -130.196 flat angles P-C4'-P energy: -84.461 tors. eta vs tors. theta energy: -128.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1442.815504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.815504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.815504 (E_RNA) where: Base-Base interactions energy: -952.677 where: short stacking energy: -418.365 Base-Backbone interact. energy: -2.549 local terms energy: -487.589741 where: bonds (distance) C4'-P energy: -113.224 bonds (distance) P-C4' energy: -116.666 flat angles C4'-P-C4' energy: -105.539 flat angles P-C4'-P energy: -62.823 tors. eta vs tors. theta energy: -89.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -949.235209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.235209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.235209 (E_RNA) where: Base-Base interactions energy: -524.204 where: short stacking energy: -282.681 Base-Backbone interact. energy: 1.962 local terms energy: -426.993590 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -122.015 flat angles C4'-P-C4' energy: -108.259 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -22.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -650.351234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.351234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.351234 (E_RNA) where: Base-Base interactions energy: -300.726 where: short stacking energy: -192.611 Base-Backbone interact. energy: 0.173 local terms energy: -349.798338 where: bonds (distance) C4'-P energy: -92.021 bonds (distance) P-C4' energy: -110.564 flat angles C4'-P-C4' energy: -93.599 flat angles P-C4'-P energy: -44.221 tors. eta vs tors. theta energy: -9.394 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: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -496.201801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.201801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.201801 (E_RNA) where: Base-Base interactions energy: -167.002 where: short stacking energy: -147.336 Base-Backbone interact. energy: 1.467 local terms energy: -330.667657 where: bonds (distance) C4'-P energy: -100.071 bonds (distance) P-C4' energy: -110.177 flat angles C4'-P-C4' energy: -87.097 flat angles P-C4'-P energy: -50.428 tors. eta vs tors. theta energy: 17.106 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: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2218.722805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.722805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.722805 (E_RNA) where: Base-Base interactions energy: -1512.299 where: short stacking energy: -658.731 Base-Backbone interact. energy: -2.650 local terms energy: -703.773839 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -122.116 flat angles C4'-P-C4' energy: -151.716 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -200.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2109.929190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.929190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.929190 (E_RNA) where: Base-Base interactions energy: -1455.496 where: short stacking energy: -612.548 Base-Backbone interact. energy: -3.582 local terms energy: -650.850543 where: bonds (distance) C4'-P energy: -123.750 bonds (distance) P-C4' energy: -121.180 flat angles C4'-P-C4' energy: -137.518 flat angles P-C4'-P energy: -91.738 tors. eta vs tors. theta energy: -176.664 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1989.148668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.148668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.148668 (E_RNA) where: Base-Base interactions energy: -1376.870 where: short stacking energy: -585.044 Base-Backbone interact. energy: 0.238 local terms energy: -612.516593 where: bonds (distance) C4'-P energy: -115.841 bonds (distance) P-C4' energy: -114.443 flat angles C4'-P-C4' energy: -149.397 flat angles P-C4'-P energy: -82.967 tors. eta vs tors. theta energy: -149.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1959.083426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.083426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.083426 (E_RNA) where: Base-Base interactions energy: -1343.707 where: short stacking energy: -554.723 Base-Backbone interact. energy: -1.341 local terms energy: -614.035707 where: bonds (distance) C4'-P energy: -103.507 bonds (distance) P-C4' energy: -135.631 flat angles C4'-P-C4' energy: -134.855 flat angles P-C4'-P energy: -90.737 tors. eta vs tors. theta energy: -149.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1747.661343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.661343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.661343 (E_RNA) where: Base-Base interactions energy: -1159.612 where: short stacking energy: -510.642 Base-Backbone interact. energy: -3.220 local terms energy: -584.829413 where: bonds (distance) C4'-P energy: -104.269 bonds (distance) P-C4' energy: -125.579 flat angles C4'-P-C4' energy: -133.086 flat angles P-C4'-P energy: -77.207 tors. eta vs tors. theta energy: -144.688 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: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1616.200885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.200885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.200885 (E_RNA) where: Base-Base interactions energy: -1050.323 where: short stacking energy: -454.835 Base-Backbone interact. energy: -4.745 local terms energy: -561.133279 where: bonds (distance) C4'-P energy: -109.353 bonds (distance) P-C4' energy: -124.124 flat angles C4'-P-C4' energy: -122.029 flat angles P-C4'-P energy: -78.525 tors. eta vs tors. theta energy: -127.102 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: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1412.919277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.919277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.919277 (E_RNA) where: Base-Base interactions energy: -938.036 where: short stacking energy: -391.177 Base-Backbone interact. energy: 1.275 local terms energy: -476.158562 where: bonds (distance) C4'-P energy: -97.871 bonds (distance) P-C4' energy: -93.707 flat angles C4'-P-C4' energy: -133.115 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -86.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -993.634542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.634542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.634542 (E_RNA) where: Base-Base interactions energy: -608.134 where: short stacking energy: -291.379 Base-Backbone interact. energy: -1.520 local terms energy: -383.980663 where: bonds (distance) C4'-P energy: -93.893 bonds (distance) P-C4' energy: -97.960 flat angles C4'-P-C4' energy: -100.328 flat angles P-C4'-P energy: -60.667 tors. eta vs tors. theta energy: -31.132 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: 9, replica: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -682.163713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.163713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.163713 (E_RNA) where: Base-Base interactions energy: -359.059 where: short stacking energy: -215.850 Base-Backbone interact. energy: 2.030 local terms energy: -325.134592 where: bonds (distance) C4'-P energy: -100.700 bonds (distance) P-C4' energy: -83.324 flat angles C4'-P-C4' energy: -88.797 flat angles P-C4'-P energy: -50.518 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -520.113113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.113113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.113113 (E_RNA) where: Base-Base interactions energy: -201.022 where: short stacking energy: -167.003 Base-Backbone interact. energy: 1.074 local terms energy: -320.164586 where: bonds (distance) C4'-P energy: -109.792 bonds (distance) P-C4' energy: -113.272 flat angles C4'-P-C4' energy: -59.527 flat angles P-C4'-P energy: -50.542 tors. eta vs tors. theta energy: 12.968 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: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2209.957409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.957409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.957409 (E_RNA) where: Base-Base interactions energy: -1504.541 where: short stacking energy: -643.594 Base-Backbone interact. energy: -4.836 local terms energy: -700.580189 where: bonds (distance) C4'-P energy: -130.694 bonds (distance) P-C4' energy: -126.874 flat angles C4'-P-C4' energy: -145.435 flat angles P-C4'-P energy: -104.181 tors. eta vs tors. theta energy: -193.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2095.669745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.669745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.669745 (E_RNA) where: Base-Base interactions energy: -1470.318 where: short stacking energy: -613.517 Base-Backbone interact. energy: -3.340 local terms energy: -622.011544 where: bonds (distance) C4'-P energy: -114.313 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -135.099 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -175.752 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: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1962.250861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.250861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.250861 (E_RNA) where: Base-Base interactions energy: -1316.391 where: short stacking energy: -554.076 Base-Backbone interact. energy: -2.525 local terms energy: -643.335436 where: bonds (distance) C4'-P energy: -123.091 bonds (distance) P-C4' energy: -120.621 flat angles C4'-P-C4' energy: -142.487 flat angles P-C4'-P energy: -91.091 tors. eta vs tors. theta energy: -166.045 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1983.705368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.705368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.705368 (E_RNA) where: Base-Base interactions energy: -1359.003 where: short stacking energy: -572.956 Base-Backbone interact. energy: -4.074 local terms energy: -620.628582 where: bonds (distance) C4'-P energy: -117.857 bonds (distance) P-C4' energy: -122.454 flat angles C4'-P-C4' energy: -129.907 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -161.029 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1692.622850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.622850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.622850 (E_RNA) where: Base-Base interactions energy: -1115.429 where: short stacking energy: -500.465 Base-Backbone interact. energy: -1.470 local terms energy: -575.723891 where: bonds (distance) C4'-P energy: -116.243 bonds (distance) P-C4' energy: -122.356 flat angles C4'-P-C4' energy: -136.986 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -125.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1634.108660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.108660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.108660 (E_RNA) where: Base-Base interactions energy: -1092.455 where: short stacking energy: -461.679 Base-Backbone interact. energy: -5.057 local terms energy: -536.596650 where: bonds (distance) C4'-P energy: -105.278 bonds (distance) P-C4' energy: -110.712 flat angles C4'-P-C4' energy: -127.714 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -120.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1398.839281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.839281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.839281 (E_RNA) where: Base-Base interactions energy: -931.258 where: short stacking energy: -406.665 Base-Backbone interact. energy: 0.463 local terms energy: -468.044955 where: bonds (distance) C4'-P energy: -79.655 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -123.820 flat angles P-C4'-P energy: -72.002 tors. eta vs tors. theta energy: -97.002 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: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1039.960755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.960755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.960755 (E_RNA) where: Base-Base interactions energy: -637.533 where: short stacking energy: -291.471 Base-Backbone interact. energy: 4.434 local terms energy: -406.862085 where: bonds (distance) C4'-P energy: -97.963 bonds (distance) P-C4' energy: -92.952 flat angles C4'-P-C4' energy: -107.745 flat angles P-C4'-P energy: -62.615 tors. eta vs tors. theta energy: -45.586 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: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -700.507401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.507401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.507401 (E_RNA) where: Base-Base interactions energy: -369.036 where: short stacking energy: -216.627 Base-Backbone interact. energy: -0.507 local terms energy: -330.963955 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -118.876 flat angles C4'-P-C4' energy: -76.951 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: 1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -503.201984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.201984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.201984 (E_RNA) where: Base-Base interactions energy: -156.693 where: short stacking energy: -135.343 Base-Backbone interact. energy: 0.721 local terms energy: -347.230309 where: bonds (distance) C4'-P energy: -106.184 bonds (distance) P-C4' energy: -117.829 flat angles C4'-P-C4' energy: -102.630 flat angles P-C4'-P energy: -34.621 tors. eta vs tors. theta energy: 14.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2190.422919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.422919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.422919 (E_RNA) where: Base-Base interactions energy: -1504.019 where: short stacking energy: -652.541 Base-Backbone interact. energy: -1.779 local terms energy: -684.624835 where: bonds (distance) C4'-P energy: -121.734 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -142.183 flat angles P-C4'-P energy: -97.933 tors. eta vs tors. theta energy: -193.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2105.926739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.926739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.926739 (E_RNA) where: Base-Base interactions energy: -1451.709 where: short stacking energy: -618.937 Base-Backbone interact. energy: -4.316 local terms energy: -649.901765 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -119.393 flat angles C4'-P-C4' energy: -144.898 flat angles P-C4'-P energy: -96.213 tors. eta vs tors. theta energy: -179.388 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: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2047.428142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.428142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.428142 (E_RNA) where: Base-Base interactions energy: -1401.586 where: short stacking energy: -604.180 Base-Backbone interact. energy: -1.506 local terms energy: -644.336258 where: bonds (distance) C4'-P energy: -127.595 bonds (distance) P-C4' energy: -120.827 flat angles C4'-P-C4' energy: -130.062 flat angles P-C4'-P energy: -92.665 tors. eta vs tors. theta energy: -173.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1949.050511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.050511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.050511 (E_RNA) where: Base-Base interactions energy: -1336.374 where: short stacking energy: -580.890 Base-Backbone interact. energy: -1.783 local terms energy: -610.893971 where: bonds (distance) C4'-P energy: -123.224 bonds (distance) P-C4' energy: -106.226 flat angles C4'-P-C4' energy: -135.974 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -156.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1724.468531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.468531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.468531 (E_RNA) where: Base-Base interactions energy: -1151.296 where: short stacking energy: -522.399 Base-Backbone interact. energy: -1.424 local terms energy: -571.749313 where: bonds (distance) C4'-P energy: -119.049 bonds (distance) P-C4' energy: -117.220 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -78.100 tors. eta vs tors. theta energy: -124.954 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: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1642.170970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.170970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.170970 (E_RNA) where: Base-Base interactions energy: -1080.034 where: short stacking energy: -500.141 Base-Backbone interact. energy: 1.956 local terms energy: -564.092506 where: bonds (distance) C4'-P energy: -108.738 bonds (distance) P-C4' energy: -130.561 flat angles C4'-P-C4' energy: -111.756 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -136.025 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: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1356.176209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.176209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.176209 (E_RNA) where: Base-Base interactions energy: -874.999 where: short stacking energy: -399.351 Base-Backbone interact. energy: -1.131 local terms energy: -480.046223 where: bonds (distance) C4'-P energy: -100.059 bonds (distance) P-C4' energy: -106.930 flat angles C4'-P-C4' energy: -115.222 flat angles P-C4'-P energy: -70.103 tors. eta vs tors. theta energy: -87.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -946.228729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.228729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.228729 (E_RNA) where: Base-Base interactions energy: -560.901 where: short stacking energy: -258.667 Base-Backbone interact. energy: 0.200 local terms energy: -385.527947 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -102.117 flat angles C4'-P-C4' energy: -93.095 flat angles P-C4'-P energy: -58.722 tors. eta vs tors. theta energy: -31.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -650.253531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.253531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.253531 (E_RNA) where: Base-Base interactions energy: -310.932 where: short stacking energy: -194.319 Base-Backbone interact. energy: 1.724 local terms energy: -341.045278 where: bonds (distance) C4'-P energy: -105.507 bonds (distance) P-C4' energy: -112.227 flat angles C4'-P-C4' energy: -89.247 flat angles P-C4'-P energy: -34.506 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -491.814805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.814805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.814805 (E_RNA) where: Base-Base interactions energy: -177.366 where: short stacking energy: -131.375 Base-Backbone interact. energy: 0.279 local terms energy: -314.728133 where: bonds (distance) C4'-P energy: -92.023 bonds (distance) P-C4' energy: -93.238 flat angles C4'-P-C4' energy: -96.606 flat angles P-C4'-P energy: -51.432 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: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2203.981620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.981620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.981620 (E_RNA) where: Base-Base interactions energy: -1527.655 where: short stacking energy: -638.723 Base-Backbone interact. energy: 1.652 local terms energy: -677.978731 where: bonds (distance) C4'-P energy: -120.343 bonds (distance) P-C4' energy: -127.761 flat angles C4'-P-C4' energy: -136.354 flat angles P-C4'-P energy: -98.453 tors. eta vs tors. theta energy: -195.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2125.024148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.024148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.024148 (E_RNA) where: Base-Base interactions energy: -1491.671 where: short stacking energy: -623.767 Base-Backbone interact. energy: -5.277 local terms energy: -628.075954 where: bonds (distance) C4'-P energy: -103.245 bonds (distance) P-C4' energy: -125.187 flat angles C4'-P-C4' energy: -137.981 flat angles P-C4'-P energy: -89.779 tors. eta vs tors. theta energy: -171.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2036.664891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.664891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.664891 (E_RNA) where: Base-Base interactions energy: -1400.340 where: short stacking energy: -616.010 Base-Backbone interact. energy: -3.854 local terms energy: -632.470426 where: bonds (distance) C4'-P energy: -113.766 bonds (distance) P-C4' energy: -121.845 flat angles C4'-P-C4' energy: -135.551 flat angles P-C4'-P energy: -94.906 tors. eta vs tors. theta energy: -166.403 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: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1872.899673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.899673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.899673 (E_RNA) where: Base-Base interactions energy: -1276.145 where: short stacking energy: -505.738 Base-Backbone interact. energy: 2.822 local terms energy: -599.576777 where: bonds (distance) C4'-P energy: -106.010 bonds (distance) P-C4' energy: -116.288 flat angles C4'-P-C4' energy: -137.479 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -142.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1784.374939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.374939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.374939 (E_RNA) where: Base-Base interactions energy: -1182.910 where: short stacking energy: -521.268 Base-Backbone interact. energy: -3.498 local terms energy: -597.966962 where: bonds (distance) C4'-P energy: -111.282 bonds (distance) P-C4' energy: -120.104 flat angles C4'-P-C4' energy: -127.712 flat angles P-C4'-P energy: -78.694 tors. eta vs tors. theta energy: -160.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1710.987242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.987242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.987242 (E_RNA) where: Base-Base interactions energy: -1148.211 where: short stacking energy: -513.989 Base-Backbone interact. energy: -0.765 local terms energy: -562.011339 where: bonds (distance) C4'-P energy: -106.236 bonds (distance) P-C4' energy: -110.150 flat angles C4'-P-C4' energy: -120.571 flat angles P-C4'-P energy: -83.571 tors. eta vs tors. theta energy: -141.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1387.046584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.046584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.046584 (E_RNA) where: Base-Base interactions energy: -903.352 where: short stacking energy: -396.455 Base-Backbone interact. energy: -3.363 local terms energy: -480.331281 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -95.708 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -63.287 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: 335 Temperature: 1.250000 Total energy: -975.952424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.952424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.952424 (E_RNA) where: Base-Base interactions energy: -557.316 where: short stacking energy: -284.545 Base-Backbone interact. energy: 2.016 local terms energy: -420.652922 where: bonds (distance) C4'-P energy: -100.125 bonds (distance) P-C4' energy: -113.350 flat angles C4'-P-C4' energy: -99.458 flat angles P-C4'-P energy: -63.377 tors. eta vs tors. theta energy: -44.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -638.797228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.797228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.797228 (E_RNA) where: Base-Base interactions energy: -266.345 where: short stacking energy: -159.906 Base-Backbone interact. energy: -1.609 local terms energy: -370.843700 where: bonds (distance) C4'-P energy: -106.347 bonds (distance) P-C4' energy: -97.966 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -67.364 tors. eta vs tors. theta energy: 4.008 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: 10, replica: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -506.546277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.546277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.546277 (E_RNA) where: Base-Base interactions energy: -210.918 where: short stacking energy: -159.266 Base-Backbone interact. energy: 1.309 local terms energy: -296.937458 where: bonds (distance) C4'-P energy: -88.648 bonds (distance) P-C4' energy: -97.979 flat angles C4'-P-C4' energy: -72.438 flat angles P-C4'-P energy: -48.380 tors. eta vs tors. theta energy: 10.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2202.732253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.732253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.732253 (E_RNA) where: Base-Base interactions energy: -1517.692 where: short stacking energy: -650.914 Base-Backbone interact. energy: -1.060 local terms energy: -683.980235 where: bonds (distance) C4'-P energy: -118.859 bonds (distance) P-C4' energy: -118.707 flat angles C4'-P-C4' energy: -145.641 flat angles P-C4'-P energy: -100.782 tors. eta vs tors. theta energy: -199.991 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: 336 Temperature: 0.950000 Total energy: -2129.916620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.916620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.916620 (E_RNA) where: Base-Base interactions energy: -1474.779 where: short stacking energy: -611.901 Base-Backbone interact. energy: -5.803 local terms energy: -649.335359 where: bonds (distance) C4'-P energy: -113.135 bonds (distance) P-C4' energy: -125.979 flat angles C4'-P-C4' energy: -142.849 flat angles P-C4'-P energy: -93.601 tors. eta vs tors. theta energy: -173.771 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: 336 Temperature: 1.000000 Total energy: -1991.491863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.491863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.491863 (E_RNA) where: Base-Base interactions energy: -1367.480 where: short stacking energy: -590.720 Base-Backbone interact. energy: -2.724 local terms energy: -621.287394 where: bonds (distance) C4'-P energy: -117.262 bonds (distance) P-C4' energy: -133.293 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -88.292 tors. eta vs tors. theta energy: -161.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1890.235431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.235431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.235431 (E_RNA) where: Base-Base interactions energy: -1321.200 where: short stacking energy: -547.306 Base-Backbone interact. energy: -5.634 local terms energy: -563.401136 where: bonds (distance) C4'-P energy: -106.030 bonds (distance) P-C4' energy: -111.950 flat angles C4'-P-C4' energy: -128.173 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -143.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1793.917895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.917895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.917895 (E_RNA) where: Base-Base interactions energy: -1214.732 where: short stacking energy: -545.795 Base-Backbone interact. energy: -2.042 local terms energy: -577.143872 where: bonds (distance) C4'-P energy: -112.808 bonds (distance) P-C4' energy: -106.039 flat angles C4'-P-C4' energy: -132.314 flat angles P-C4'-P energy: -73.809 tors. eta vs tors. theta energy: -152.173 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: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1675.655792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.655792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.655792 (E_RNA) where: Base-Base interactions energy: -1118.613 where: short stacking energy: -511.943 Base-Backbone interact. energy: -1.802 local terms energy: -555.240951 where: bonds (distance) C4'-P energy: -110.729 bonds (distance) P-C4' energy: -111.369 flat angles C4'-P-C4' energy: -126.230 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -136.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1322.622511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.622511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.622511 (E_RNA) where: Base-Base interactions energy: -843.455 where: short stacking energy: -393.920 Base-Backbone interact. energy: 0.853 local terms energy: -480.020783 where: bonds (distance) C4'-P energy: -110.624 bonds (distance) P-C4' energy: -100.627 flat angles C4'-P-C4' energy: -118.106 flat angles P-C4'-P energy: -57.365 tors. eta vs tors. theta energy: -93.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1009.219613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.219613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.219613 (E_RNA) where: Base-Base interactions energy: -605.521 where: short stacking energy: -305.477 Base-Backbone interact. energy: 4.147 local terms energy: -407.844895 where: bonds (distance) C4'-P energy: -93.451 bonds (distance) P-C4' energy: -110.103 flat angles C4'-P-C4' energy: -112.648 flat angles P-C4'-P energy: -59.537 tors. eta vs tors. theta energy: -32.105 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: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -547.126273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.126273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.126273 (E_RNA) where: Base-Base interactions energy: -191.227 where: short stacking energy: -160.969 Base-Backbone interact. energy: 3.490 local terms energy: -359.389076 where: bonds (distance) C4'-P energy: -103.469 bonds (distance) P-C4' energy: -105.279 flat angles C4'-P-C4' energy: -81.290 flat angles P-C4'-P energy: -64.442 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -613.294552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.294552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.294552 (E_RNA) where: Base-Base interactions energy: -288.252 where: short stacking energy: -183.573 Base-Backbone interact. energy: 2.798 local terms energy: -327.840154 where: bonds (distance) C4'-P energy: -102.048 bonds (distance) P-C4' energy: -107.212 flat angles C4'-P-C4' energy: -76.971 flat angles P-C4'-P energy: -54.825 tors. eta vs tors. theta energy: 13.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2220.041858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.041858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.041858 (E_RNA) where: Base-Base interactions energy: -1514.213 where: short stacking energy: -658.093 Base-Backbone interact. energy: -4.447 local terms energy: -701.382118 where: bonds (distance) C4'-P energy: -133.344 bonds (distance) P-C4' energy: -112.878 flat angles C4'-P-C4' energy: -151.399 flat angles P-C4'-P energy: -99.695 tors. eta vs tors. theta energy: -204.066 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: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2108.915331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.915331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.915331 (E_RNA) where: Base-Base interactions energy: -1440.079 where: short stacking energy: -581.741 Base-Backbone interact. energy: -7.233 local terms energy: -661.603904 where: bonds (distance) C4'-P energy: -121.472 bonds (distance) P-C4' energy: -134.579 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -93.713 tors. eta vs tors. theta energy: -173.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1993.498972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.498972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.498972 (E_RNA) where: Base-Base interactions energy: -1361.787 where: short stacking energy: -560.211 Base-Backbone interact. energy: -1.612 local terms energy: -630.099155 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -123.022 flat angles C4'-P-C4' energy: -133.150 flat angles P-C4'-P energy: -95.465 tors. eta vs tors. theta energy: -153.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1857.706595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.706595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.706595 (E_RNA) where: Base-Base interactions energy: -1249.435 where: short stacking energy: -516.868 Base-Backbone interact. energy: 0.522 local terms energy: -608.793719 where: bonds (distance) C4'-P energy: -126.751 bonds (distance) P-C4' energy: -124.212 flat angles C4'-P-C4' energy: -138.037 flat angles P-C4'-P energy: -81.233 tors. eta vs tors. theta energy: -138.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1777.624606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.624606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.624606 (E_RNA) where: Base-Base interactions energy: -1197.551 where: short stacking energy: -537.135 Base-Backbone interact. energy: -4.008 local terms energy: -576.066365 where: bonds (distance) C4'-P energy: -111.793 bonds (distance) P-C4' energy: -101.403 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -81.609 tors. eta vs tors. theta energy: -148.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1736.085661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.085661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.085661 (E_RNA) where: Base-Base interactions energy: -1144.526 where: short stacking energy: -512.475 Base-Backbone interact. energy: -1.480 local terms energy: -590.079191 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -121.162 flat angles C4'-P-C4' energy: -130.203 flat angles P-C4'-P energy: -90.974 tors. eta vs tors. theta energy: -149.350 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: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1282.308679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.308679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.308679 (E_RNA) where: Base-Base interactions energy: -835.612 where: short stacking energy: -382.823 Base-Backbone interact. energy: 3.587 local terms energy: -450.283320 where: bonds (distance) C4'-P energy: -98.675 bonds (distance) P-C4' energy: -103.122 flat angles C4'-P-C4' energy: -107.152 flat angles P-C4'-P energy: -73.076 tors. eta vs tors. theta energy: -68.257 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: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1001.587102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.587102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.587102 (E_RNA) where: Base-Base interactions energy: -594.611 where: short stacking energy: -274.798 Base-Backbone interact. energy: 4.461 local terms energy: -411.436986 where: bonds (distance) C4'-P energy: -89.246 bonds (distance) P-C4' energy: -117.810 flat angles C4'-P-C4' energy: -101.440 flat angles P-C4'-P energy: -62.434 tors. eta vs tors. theta energy: -40.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -561.530115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.530115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.530115 (E_RNA) where: Base-Base interactions energy: -226.506 where: short stacking energy: -184.358 Base-Backbone interact. energy: 1.127 local terms energy: -336.151053 where: bonds (distance) C4'-P energy: -105.031 bonds (distance) P-C4' energy: -118.815 flat angles C4'-P-C4' energy: -73.192 flat angles P-C4'-P energy: -34.792 tors. eta vs tors. theta energy: -4.320 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: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -608.371633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.371633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.371633 (E_RNA) where: Base-Base interactions energy: -297.227 where: short stacking energy: -185.748 Base-Backbone interact. energy: 5.098 local terms energy: -316.242736 where: bonds (distance) C4'-P energy: -98.603 bonds (distance) P-C4' energy: -114.470 flat angles C4'-P-C4' energy: -84.573 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: 15.050 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: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2201.905596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.905596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.905596 (E_RNA) where: Base-Base interactions energy: -1500.765 where: short stacking energy: -632.061 Base-Backbone interact. energy: -1.160 local terms energy: -699.980633 where: bonds (distance) C4'-P energy: -129.418 bonds (distance) P-C4' energy: -130.424 flat angles C4'-P-C4' energy: -148.730 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -193.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2104.083874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.083874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.083874 (E_RNA) where: Base-Base interactions energy: -1460.733 where: short stacking energy: -597.669 Base-Backbone interact. energy: -5.495 local terms energy: -637.856536 where: bonds (distance) C4'-P energy: -122.886 bonds (distance) P-C4' energy: -117.158 flat angles C4'-P-C4' energy: -140.215 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -165.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1965.882396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.882396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.882396 (E_RNA) where: Base-Base interactions energy: -1339.805 where: short stacking energy: -583.741 Base-Backbone interact. energy: 2.577 local terms energy: -628.654354 where: bonds (distance) C4'-P energy: -115.298 bonds (distance) P-C4' energy: -115.264 flat angles C4'-P-C4' energy: -140.249 flat angles P-C4'-P energy: -99.823 tors. eta vs tors. theta energy: -158.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1888.300174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.300174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.300174 (E_RNA) where: Base-Base interactions energy: -1285.568 where: short stacking energy: -559.001 Base-Backbone interact. energy: -0.576 local terms energy: -602.155708 where: bonds (distance) C4'-P energy: -114.682 bonds (distance) P-C4' energy: -110.241 flat angles C4'-P-C4' energy: -134.206 flat angles P-C4'-P energy: -89.428 tors. eta vs tors. theta energy: -153.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1760.010250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.010250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.010250 (E_RNA) where: Base-Base interactions energy: -1161.620 where: short stacking energy: -507.792 Base-Backbone interact. energy: -1.476 local terms energy: -596.914318 where: bonds (distance) C4'-P energy: -120.289 bonds (distance) P-C4' energy: -110.195 flat angles C4'-P-C4' energy: -124.630 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -147.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1648.937601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.937601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.937601 (E_RNA) where: Base-Base interactions energy: -1110.320 where: short stacking energy: -502.119 Base-Backbone interact. energy: -1.319 local terms energy: -537.298581 where: bonds (distance) C4'-P energy: -89.983 bonds (distance) P-C4' energy: -124.315 flat angles C4'-P-C4' energy: -114.871 flat angles P-C4'-P energy: -74.976 tors. eta vs tors. theta energy: -133.153 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: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1304.930880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.930880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.930880 (E_RNA) where: Base-Base interactions energy: -812.117 where: short stacking energy: -378.917 Base-Backbone interact. energy: -0.806 local terms energy: -492.007955 where: bonds (distance) C4'-P energy: -112.945 bonds (distance) P-C4' energy: -109.158 flat angles C4'-P-C4' energy: -113.296 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -76.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -977.054485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.054485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.054485 (E_RNA) where: Base-Base interactions energy: -547.378 where: short stacking energy: -285.682 Base-Backbone interact. energy: -1.546 local terms energy: -428.130204 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -92.695 flat angles P-C4'-P energy: -63.836 tors. eta vs tors. theta energy: -36.694 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: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -626.876582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.876582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.876582 (E_RNA) where: Base-Base interactions energy: -267.255 where: short stacking energy: -168.052 Base-Backbone interact. energy: -1.609 local terms energy: -358.012232 where: bonds (distance) C4'-P energy: -107.401 bonds (distance) P-C4' energy: -114.691 flat angles C4'-P-C4' energy: -86.727 flat angles P-C4'-P energy: -59.823 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: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -527.954295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.954295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.954295 (E_RNA) where: Base-Base interactions energy: -212.953 where: short stacking energy: -161.519 Base-Backbone interact. energy: 4.325 local terms energy: -319.326780 where: bonds (distance) C4'-P energy: -99.695 bonds (distance) P-C4' energy: -103.192 flat angles C4'-P-C4' energy: -92.473 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: 32.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2192.369848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.369848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.369848 (E_RNA) where: Base-Base interactions energy: -1517.975 where: short stacking energy: -667.171 Base-Backbone interact. energy: -2.842 local terms energy: -671.552224 where: bonds (distance) C4'-P energy: -105.583 bonds (distance) P-C4' energy: -126.227 flat angles C4'-P-C4' energy: -145.279 flat angles P-C4'-P energy: -95.290 tors. eta vs tors. theta energy: -199.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2148.316665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.316665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.316665 (E_RNA) where: Base-Base interactions energy: -1493.842 where: short stacking energy: -620.897 Base-Backbone interact. energy: -6.092 local terms energy: -648.382362 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -122.670 flat angles C4'-P-C4' energy: -137.783 flat angles P-C4'-P energy: -81.788 tors. eta vs tors. theta energy: -176.642 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: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1974.332723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.332723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.332723 (E_RNA) where: Base-Base interactions energy: -1355.913 where: short stacking energy: -605.801 Base-Backbone interact. energy: 0.084 local terms energy: -618.503085 where: bonds (distance) C4'-P energy: -111.196 bonds (distance) P-C4' energy: -111.007 flat angles C4'-P-C4' energy: -135.904 flat angles P-C4'-P energy: -88.211 tors. eta vs tors. theta energy: -172.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1949.917163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.917163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.917163 (E_RNA) where: Base-Base interactions energy: -1369.090 where: short stacking energy: -559.006 Base-Backbone interact. energy: 0.615 local terms energy: -581.441725 where: bonds (distance) C4'-P energy: -109.365 bonds (distance) P-C4' energy: -119.282 flat angles C4'-P-C4' energy: -119.225 flat angles P-C4'-P energy: -79.511 tors. eta vs tors. theta energy: -154.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1752.800061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.800061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.800061 (E_RNA) where: Base-Base interactions energy: -1188.930 where: short stacking energy: -522.345 Base-Backbone interact. energy: 1.144 local terms energy: -565.014226 where: bonds (distance) C4'-P energy: -103.948 bonds (distance) P-C4' energy: -109.118 flat angles C4'-P-C4' energy: -115.789 flat angles P-C4'-P energy: -83.107 tors. eta vs tors. theta energy: -153.052 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: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1637.238809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.238809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.238809 (E_RNA) where: Base-Base interactions energy: -1095.366 where: short stacking energy: -484.698 Base-Backbone interact. energy: -0.992 local terms energy: -540.880842 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -109.139 flat angles C4'-P-C4' energy: -131.355 flat angles P-C4'-P energy: -78.444 tors. eta vs tors. theta energy: -125.794 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: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1319.065338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.065338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.065338 (E_RNA) where: Base-Base interactions energy: -836.708 where: short stacking energy: -385.442 Base-Backbone interact. energy: -3.663 local terms energy: -478.694696 where: bonds (distance) C4'-P energy: -109.208 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -103.195 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -88.229 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: 339 Temperature: 1.250000 Total energy: -957.117424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.117424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.117424 (E_RNA) where: Base-Base interactions energy: -547.144 where: short stacking energy: -267.552 Base-Backbone interact. energy: -1.077 local terms energy: -408.896061 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -118.419 flat angles C4'-P-C4' energy: -96.464 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -27.821 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: 9, replica: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -651.384991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.384991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.384991 (E_RNA) where: Base-Base interactions energy: -327.810 where: short stacking energy: -176.847 Base-Backbone interact. energy: 6.148 local terms energy: -329.722931 where: bonds (distance) C4'-P energy: -88.715 bonds (distance) P-C4' energy: -99.510 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -57.360 tors. eta vs tors. theta energy: -8.254 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: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -508.564630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.564630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.564630 (E_RNA) where: Base-Base interactions energy: -200.794 where: short stacking energy: -155.169 Base-Backbone interact. energy: -0.463 local terms energy: -307.307927 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -105.848 flat angles C4'-P-C4' energy: -87.807 flat angles P-C4'-P energy: -50.824 tors. eta vs tors. theta energy: 27.838 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: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2201.811137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.811137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.811137 (E_RNA) where: Base-Base interactions energy: -1501.956 where: short stacking energy: -669.989 Base-Backbone interact. energy: -2.084 local terms energy: -697.771134 where: bonds (distance) C4'-P energy: -117.512 bonds (distance) P-C4' energy: -126.051 flat angles C4'-P-C4' energy: -145.242 flat angles P-C4'-P energy: -111.298 tors. eta vs tors. theta energy: -197.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2103.572479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.572479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.572479 (E_RNA) where: Base-Base interactions energy: -1442.249 where: short stacking energy: -613.259 Base-Backbone interact. energy: -5.754 local terms energy: -655.569422 where: bonds (distance) C4'-P energy: -122.811 bonds (distance) P-C4' energy: -131.545 flat angles C4'-P-C4' energy: -138.211 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -176.737 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: 340 Temperature: 1.000000 Total energy: -2047.157153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.157153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.157153 (E_RNA) where: Base-Base interactions energy: -1404.287 where: short stacking energy: -608.805 Base-Backbone interact. energy: -2.261 local terms energy: -640.608930 where: bonds (distance) C4'-P energy: -122.465 bonds (distance) P-C4' energy: -118.205 flat angles C4'-P-C4' energy: -144.059 flat angles P-C4'-P energy: -90.185 tors. eta vs tors. theta energy: -165.695 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: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1927.649382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.649382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.649382 (E_RNA) where: Base-Base interactions energy: -1333.639 where: short stacking energy: -566.126 Base-Backbone interact. energy: 1.480 local terms energy: -595.490356 where: bonds (distance) C4'-P energy: -116.897 bonds (distance) P-C4' energy: -106.311 flat angles C4'-P-C4' energy: -122.614 flat angles P-C4'-P energy: -95.530 tors. eta vs tors. theta energy: -154.138 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: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1800.516967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.516967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.516967 (E_RNA) where: Base-Base interactions energy: -1225.206 where: short stacking energy: -528.420 Base-Backbone interact. energy: -0.283 local terms energy: -575.028177 where: bonds (distance) C4'-P energy: -88.217 bonds (distance) P-C4' energy: -116.401 flat angles C4'-P-C4' energy: -137.706 flat angles P-C4'-P energy: -81.950 tors. eta vs tors. theta energy: -150.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1694.047520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.047520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.047520 (E_RNA) where: Base-Base interactions energy: -1133.697 where: short stacking energy: -518.294 Base-Backbone interact. energy: -0.491 local terms energy: -559.858884 where: bonds (distance) C4'-P energy: -98.773 bonds (distance) P-C4' energy: -100.682 flat angles C4'-P-C4' energy: -128.776 flat angles P-C4'-P energy: -84.998 tors. eta vs tors. theta energy: -146.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1309.903589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.903589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.903589 (E_RNA) where: Base-Base interactions energy: -855.495 where: short stacking energy: -425.568 Base-Backbone interact. energy: -0.449 local terms energy: -453.959793 where: bonds (distance) C4'-P energy: -86.978 bonds (distance) P-C4' energy: -95.860 flat angles C4'-P-C4' energy: -108.341 flat angles P-C4'-P energy: -69.709 tors. eta vs tors. theta energy: -93.073 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: 340 Temperature: 1.250000 Total energy: -978.195639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.195639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.195639 (E_RNA) where: Base-Base interactions energy: -578.903 where: short stacking energy: -297.930 Base-Backbone interact. energy: -2.206 local terms energy: -397.086337 where: bonds (distance) C4'-P energy: -111.515 bonds (distance) P-C4' energy: -96.255 flat angles C4'-P-C4' energy: -102.989 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -26.491 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: 340 Temperature: 1.300000 Total energy: -595.690417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.690417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.690417 (E_RNA) where: Base-Base interactions energy: -239.109 where: short stacking energy: -200.188 Base-Backbone interact. energy: -1.852 local terms energy: -354.730338 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -103.795 flat angles C4'-P-C4' energy: -91.546 flat angles P-C4'-P energy: -46.502 tors. eta vs tors. theta energy: -9.613 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: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -613.963570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.963570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.963570 (E_RNA) where: Base-Base interactions energy: -290.823 where: short stacking energy: -189.928 Base-Backbone interact. energy: -1.257 local terms energy: -321.883139 where: bonds (distance) C4'-P energy: -106.703 bonds (distance) P-C4' energy: -108.348 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: 12.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2217.479397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.479397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.479397 (E_RNA) where: Base-Base interactions energy: -1514.248 where: short stacking energy: -652.157 Base-Backbone interact. energy: -2.978 local terms energy: -700.253006 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -129.159 flat angles C4'-P-C4' energy: -155.411 flat angles P-C4'-P energy: -91.451 tors. eta vs tors. theta energy: -194.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2132.044077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.044077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.044077 (E_RNA) where: Base-Base interactions energy: -1479.026 where: short stacking energy: -601.290 Base-Backbone interact. energy: -9.445 local terms energy: -643.573363 where: bonds (distance) C4'-P energy: -125.614 bonds (distance) P-C4' energy: -118.885 flat angles C4'-P-C4' energy: -140.636 flat angles P-C4'-P energy: -85.264 tors. eta vs tors. theta energy: -173.174 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: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1992.775765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.775765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.775765 (E_RNA) where: Base-Base interactions energy: -1392.813 where: short stacking energy: -597.250 Base-Backbone interact. energy: -1.104 local terms energy: -598.858735 where: bonds (distance) C4'-P energy: -119.703 bonds (distance) P-C4' energy: -107.588 flat angles C4'-P-C4' energy: -139.768 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -164.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1877.568731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.568731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.568731 (E_RNA) where: Base-Base interactions energy: -1288.912 where: short stacking energy: -527.224 Base-Backbone interact. energy: -4.223 local terms energy: -584.434010 where: bonds (distance) C4'-P energy: -126.931 bonds (distance) P-C4' energy: -109.338 flat angles C4'-P-C4' energy: -131.486 flat angles P-C4'-P energy: -82.264 tors. eta vs tors. theta energy: -134.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1801.916264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.916264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.916264 (E_RNA) where: Base-Base interactions energy: -1233.093 where: short stacking energy: -547.949 Base-Backbone interact. energy: 1.834 local terms energy: -570.657845 where: bonds (distance) C4'-P energy: -109.791 bonds (distance) P-C4' energy: -116.855 flat angles C4'-P-C4' energy: -128.199 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -146.954 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: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1666.369462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.369462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.369462 (E_RNA) where: Base-Base interactions energy: -1089.112 where: short stacking energy: -496.082 Base-Backbone interact. energy: -2.547 local terms energy: -574.711007 where: bonds (distance) C4'-P energy: -115.252 bonds (distance) P-C4' energy: -120.953 flat angles C4'-P-C4' energy: -121.143 flat angles P-C4'-P energy: -84.052 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: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1325.393819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.393819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.393819 (E_RNA) where: Base-Base interactions energy: -853.201 where: short stacking energy: -369.062 Base-Backbone interact. energy: -4.553 local terms energy: -467.640036 where: bonds (distance) C4'-P energy: -99.965 bonds (distance) P-C4' energy: -94.946 flat angles C4'-P-C4' energy: -124.242 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: -76.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -967.312898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.312898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.312898 (E_RNA) where: Base-Base interactions energy: -545.120 where: short stacking energy: -274.742 Base-Backbone interact. energy: -0.678 local terms energy: -421.515200 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -118.041 flat angles C4'-P-C4' energy: -117.866 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: -35.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -553.352598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.352598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.352598 (E_RNA) where: Base-Base interactions energy: -230.798 where: short stacking energy: -169.615 Base-Backbone interact. energy: -1.265 local terms energy: -321.290321 where: bonds (distance) C4'-P energy: -101.236 bonds (distance) P-C4' energy: -116.992 flat angles C4'-P-C4' energy: -71.391 flat angles P-C4'-P energy: -44.359 tors. eta vs tors. theta energy: 12.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -595.186911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.186911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.186911 (E_RNA) where: Base-Base interactions energy: -250.718 where: short stacking energy: -161.640 Base-Backbone interact. energy: -2.255 local terms energy: -342.214630 where: bonds (distance) C4'-P energy: -90.495 bonds (distance) P-C4' energy: -96.244 flat angles C4'-P-C4' energy: -108.251 flat angles P-C4'-P energy: -46.352 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: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2224.778833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.778833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.778833 (E_RNA) where: Base-Base interactions energy: -1526.712 where: short stacking energy: -651.147 Base-Backbone interact. energy: -1.102 local terms energy: -696.964447 where: bonds (distance) C4'-P energy: -121.660 bonds (distance) P-C4' energy: -125.498 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -95.398 tors. eta vs tors. theta energy: -203.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2119.903364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.903364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.903364 (E_RNA) where: Base-Base interactions energy: -1457.756 where: short stacking energy: -615.435 Base-Backbone interact. energy: -7.000 local terms energy: -655.147934 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -128.437 flat angles C4'-P-C4' energy: -136.086 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -173.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2006.427614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.427614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.427614 (E_RNA) where: Base-Base interactions energy: -1376.856 where: short stacking energy: -610.399 Base-Backbone interact. energy: -3.772 local terms energy: -625.799366 where: bonds (distance) C4'-P energy: -110.800 bonds (distance) P-C4' energy: -126.049 flat angles C4'-P-C4' energy: -132.914 flat angles P-C4'-P energy: -80.844 tors. eta vs tors. theta energy: -175.193 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: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1907.757143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.757143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.757143 (E_RNA) where: Base-Base interactions energy: -1326.948 where: short stacking energy: -557.793 Base-Backbone interact. energy: -1.943 local terms energy: -578.866473 where: bonds (distance) C4'-P energy: -113.863 bonds (distance) P-C4' energy: -114.893 flat angles C4'-P-C4' energy: -126.677 flat angles P-C4'-P energy: -83.458 tors. eta vs tors. theta energy: -139.975 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: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1811.759828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.759828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.759828 (E_RNA) where: Base-Base interactions energy: -1217.802 where: short stacking energy: -521.367 Base-Backbone interact. energy: -1.195 local terms energy: -592.763133 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -114.049 flat angles C4'-P-C4' energy: -137.265 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -157.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1696.997289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.997289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.997289 (E_RNA) where: Base-Base interactions energy: -1157.836 where: short stacking energy: -515.684 Base-Backbone interact. energy: 4.444 local terms energy: -543.604810 where: bonds (distance) C4'-P energy: -102.766 bonds (distance) P-C4' energy: -112.286 flat angles C4'-P-C4' energy: -109.860 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -140.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1372.201102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.201102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.201102 (E_RNA) where: Base-Base interactions energy: -872.508 where: short stacking energy: -405.138 Base-Backbone interact. energy: -2.751 local terms energy: -496.942133 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -115.192 flat angles C4'-P-C4' energy: -98.132 flat angles P-C4'-P energy: -78.694 tors. eta vs tors. theta energy: -87.952 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: 342 Temperature: 1.250000 Total energy: -989.446241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.446241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.446241 (E_RNA) where: Base-Base interactions energy: -603.913 where: short stacking energy: -309.883 Base-Backbone interact. energy: 0.101 local terms energy: -385.634780 where: bonds (distance) C4'-P energy: -95.184 bonds (distance) P-C4' energy: -95.508 flat angles C4'-P-C4' energy: -90.137 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: -38.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -694.354138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.354138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.354138 (E_RNA) where: Base-Base interactions energy: -302.014 where: short stacking energy: -199.742 Base-Backbone interact. energy: -2.185 local terms energy: -390.155468 where: bonds (distance) C4'-P energy: -100.150 bonds (distance) P-C4' energy: -119.642 flat angles C4'-P-C4' energy: -94.939 flat angles P-C4'-P energy: -51.008 tors. eta vs tors. theta energy: -24.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -486.929761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.929761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.929761 (E_RNA) where: Base-Base interactions energy: -141.072 where: short stacking energy: -122.631 Base-Backbone interact. energy: 1.842 local terms energy: -347.699360 where: bonds (distance) C4'-P energy: -111.178 bonds (distance) P-C4' energy: -107.197 flat angles C4'-P-C4' energy: -86.527 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: 10.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2193.807983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.807983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.807983 (E_RNA) where: Base-Base interactions energy: -1497.106 where: short stacking energy: -629.792 Base-Backbone interact. energy: -5.039 local terms energy: -691.662208 where: bonds (distance) C4'-P energy: -130.088 bonds (distance) P-C4' energy: -116.962 flat angles C4'-P-C4' energy: -145.623 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -206.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2126.608032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.608032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.608032 (E_RNA) where: Base-Base interactions energy: -1459.966 where: short stacking energy: -614.746 Base-Backbone interact. energy: -4.491 local terms energy: -662.150896 where: bonds (distance) C4'-P energy: -116.476 bonds (distance) P-C4' energy: -120.428 flat angles C4'-P-C4' energy: -146.892 flat angles P-C4'-P energy: -95.757 tors. eta vs tors. theta energy: -182.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1989.746169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.746169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.746169 (E_RNA) where: Base-Base interactions energy: -1381.781 where: short stacking energy: -593.520 Base-Backbone interact. energy: -2.516 local terms energy: -605.449394 where: bonds (distance) C4'-P energy: -105.809 bonds (distance) P-C4' energy: -116.662 flat angles C4'-P-C4' energy: -131.390 flat angles P-C4'-P energy: -78.771 tors. eta vs tors. theta energy: -172.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1984.139200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.139200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.139200 (E_RNA) where: Base-Base interactions energy: -1338.834 where: short stacking energy: -555.794 Base-Backbone interact. energy: -3.981 local terms energy: -641.323843 where: bonds (distance) C4'-P energy: -119.419 bonds (distance) P-C4' energy: -108.755 flat angles C4'-P-C4' energy: -145.839 flat angles P-C4'-P energy: -98.771 tors. eta vs tors. theta energy: -168.540 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: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1856.264083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.264083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.264083 (E_RNA) where: Base-Base interactions energy: -1265.663 where: short stacking energy: -542.864 Base-Backbone interact. energy: -2.348 local terms energy: -588.253335 where: bonds (distance) C4'-P energy: -107.512 bonds (distance) P-C4' energy: -119.869 flat angles C4'-P-C4' energy: -123.240 flat angles P-C4'-P energy: -83.663 tors. eta vs tors. theta energy: -153.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1671.570598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.570598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.570598 (E_RNA) where: Base-Base interactions energy: -1138.018 where: short stacking energy: -514.610 Base-Backbone interact. energy: -1.084 local terms energy: -532.468227 where: bonds (distance) C4'-P energy: -96.332 bonds (distance) P-C4' energy: -99.977 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: -141.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1298.116876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.116876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.116876 (E_RNA) where: Base-Base interactions energy: -846.932 where: short stacking energy: -409.493 Base-Backbone interact. energy: 0.762 local terms energy: -451.946436 where: bonds (distance) C4'-P energy: -107.548 bonds (distance) P-C4' energy: -107.040 flat angles C4'-P-C4' energy: -86.234 flat angles P-C4'-P energy: -77.693 tors. eta vs tors. theta energy: -73.432 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: 8, replica: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -939.589572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.589572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.589572 (E_RNA) where: Base-Base interactions energy: -541.778 where: short stacking energy: -283.369 Base-Backbone interact. energy: -0.506 local terms energy: -397.306122 where: bonds (distance) C4'-P energy: -113.576 bonds (distance) P-C4' energy: -103.726 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -64.571 tors. eta vs tors. theta energy: -23.876 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: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -640.618626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.618626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.618626 (E_RNA) where: Base-Base interactions energy: -298.033 where: short stacking energy: -211.514 Base-Backbone interact. energy: -2.347 local terms energy: -340.239067 where: bonds (distance) C4'-P energy: -99.191 bonds (distance) P-C4' energy: -106.826 flat angles C4'-P-C4' energy: -106.567 flat angles P-C4'-P energy: -32.608 tors. eta vs tors. theta energy: 4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -496.236880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.236880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.236880 (E_RNA) where: Base-Base interactions energy: -177.193 where: short stacking energy: -152.225 Base-Backbone interact. energy: 2.130 local terms energy: -321.174228 where: bonds (distance) C4'-P energy: -85.055 bonds (distance) P-C4' energy: -104.830 flat angles C4'-P-C4' energy: -79.494 flat angles P-C4'-P energy: -64.483 tors. eta vs tors. theta energy: 12.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2181.200410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.200410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.200410 (E_RNA) where: Base-Base interactions energy: -1503.935 where: short stacking energy: -643.619 Base-Backbone interact. energy: -4.071 local terms energy: -673.194407 where: bonds (distance) C4'-P energy: -121.232 bonds (distance) P-C4' energy: -124.614 flat angles C4'-P-C4' energy: -138.159 flat angles P-C4'-P energy: -94.201 tors. eta vs tors. theta energy: -194.987 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: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2137.803767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.803767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.803767 (E_RNA) where: Base-Base interactions energy: -1464.652 where: short stacking energy: -601.174 Base-Backbone interact. energy: -6.467 local terms energy: -666.684425 where: bonds (distance) C4'-P energy: -129.623 bonds (distance) P-C4' energy: -128.793 flat angles C4'-P-C4' energy: -132.882 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -176.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2010.911103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.911103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.911103 (E_RNA) where: Base-Base interactions energy: -1401.327 where: short stacking energy: -603.735 Base-Backbone interact. energy: -1.475 local terms energy: -608.109614 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -109.813 flat angles C4'-P-C4' energy: -133.654 flat angles P-C4'-P energy: -82.921 tors. eta vs tors. theta energy: -167.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1918.835598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.835598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.835598 (E_RNA) where: Base-Base interactions energy: -1326.707 where: short stacking energy: -559.393 Base-Backbone interact. energy: -2.344 local terms energy: -589.783931 where: bonds (distance) C4'-P energy: -97.244 bonds (distance) P-C4' energy: -112.069 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -149.995 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1849.307178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.307178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.307178 (E_RNA) where: Base-Base interactions energy: -1230.786 where: short stacking energy: -547.393 Base-Backbone interact. energy: -3.749 local terms energy: -614.772742 where: bonds (distance) C4'-P energy: -110.125 bonds (distance) P-C4' energy: -117.767 flat angles C4'-P-C4' energy: -131.587 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -163.924 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: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1636.740633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.740633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.740633 (E_RNA) where: Base-Base interactions energy: -1094.783 where: short stacking energy: -493.471 Base-Backbone interact. energy: -2.448 local terms energy: -539.509309 where: bonds (distance) C4'-P energy: -119.780 bonds (distance) P-C4' energy: -106.949 flat angles C4'-P-C4' energy: -115.145 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -124.009 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: 7, replica: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1384.793713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.793713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.793713 (E_RNA) where: Base-Base interactions energy: -897.972 where: short stacking energy: -403.215 Base-Backbone interact. energy: 2.921 local terms energy: -489.742530 where: bonds (distance) C4'-P energy: -102.225 bonds (distance) P-C4' energy: -107.357 flat angles C4'-P-C4' energy: -119.396 flat angles P-C4'-P energy: -57.552 tors. eta vs tors. theta energy: -103.212 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: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -939.902249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.902249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.902249 (E_RNA) where: Base-Base interactions energy: -561.907 where: short stacking energy: -263.149 Base-Backbone interact. energy: -1.748 local terms energy: -376.247198 where: bonds (distance) C4'-P energy: -94.945 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -54.390 tors. eta vs tors. theta energy: -10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -702.542090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.542090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.542090 (E_RNA) where: Base-Base interactions energy: -330.554 where: short stacking energy: -217.238 Base-Backbone interact. energy: -0.467 local terms energy: -371.521842 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -99.119 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: 5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -524.693381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.693381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.693381 (E_RNA) where: Base-Base interactions energy: -187.878 where: short stacking energy: -163.949 Base-Backbone interact. energy: -1.319 local terms energy: -335.496699 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -88.748 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -71.692 tors. eta vs tors. theta energy: 15.371 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: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2180.668091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.668091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.668091 (E_RNA) where: Base-Base interactions energy: -1491.280 where: short stacking energy: -632.684 Base-Backbone interact. energy: -5.183 local terms energy: -684.205178 where: bonds (distance) C4'-P energy: -121.300 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -138.662 flat angles P-C4'-P energy: -95.816 tors. eta vs tors. theta energy: -194.072 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: 345 Temperature: 0.950000 Total energy: -2100.100581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.100581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.100581 (E_RNA) where: Base-Base interactions energy: -1425.888 where: short stacking energy: -576.600 Base-Backbone interact. energy: -0.797 local terms energy: -673.416189 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -135.368 flat angles C4'-P-C4' energy: -143.777 flat angles P-C4'-P energy: -97.434 tors. eta vs tors. theta energy: -161.673 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: 345 Temperature: 1.000000 Total energy: -2031.491167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.491167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.491167 (E_RNA) where: Base-Base interactions energy: -1395.222 where: short stacking energy: -569.709 Base-Backbone interact. energy: -1.893 local terms energy: -634.376963 where: bonds (distance) C4'-P energy: -121.007 bonds (distance) P-C4' energy: -129.564 flat angles C4'-P-C4' energy: -125.705 flat angles P-C4'-P energy: -102.557 tors. eta vs tors. theta energy: -155.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1950.318122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.318122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.318122 (E_RNA) where: Base-Base interactions energy: -1343.925 where: short stacking energy: -594.509 Base-Backbone interact. energy: 0.206 local terms energy: -606.599266 where: bonds (distance) C4'-P energy: -108.896 bonds (distance) P-C4' energy: -109.407 flat angles C4'-P-C4' energy: -137.689 flat angles P-C4'-P energy: -82.462 tors. eta vs tors. theta energy: -168.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1821.127070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.127070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.127070 (E_RNA) where: Base-Base interactions energy: -1250.808 where: short stacking energy: -533.341 Base-Backbone interact. energy: -3.265 local terms energy: -567.053849 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -104.884 flat angles C4'-P-C4' energy: -122.807 flat angles P-C4'-P energy: -82.339 tors. eta vs tors. theta energy: -147.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1634.510341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.510341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.510341 (E_RNA) where: Base-Base interactions energy: -1105.227 where: short stacking energy: -479.376 Base-Backbone interact. energy: -2.489 local terms energy: -526.794705 where: bonds (distance) C4'-P energy: -94.307 bonds (distance) P-C4' energy: -110.537 flat angles C4'-P-C4' energy: -106.011 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -134.403 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: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1393.575957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.575957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.575957 (E_RNA) where: Base-Base interactions energy: -891.196 where: short stacking energy: -410.919 Base-Backbone interact. energy: -2.096 local terms energy: -500.283916 where: bonds (distance) C4'-P energy: -93.293 bonds (distance) P-C4' energy: -118.579 flat angles C4'-P-C4' energy: -109.864 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -98.553 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: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -947.419053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.419053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.419053 (E_RNA) where: Base-Base interactions energy: -537.988 where: short stacking energy: -279.445 Base-Backbone interact. energy: 1.244 local terms energy: -410.674904 where: bonds (distance) C4'-P energy: -105.358 bonds (distance) P-C4' energy: -110.833 flat angles C4'-P-C4' energy: -121.255 flat angles P-C4'-P energy: -45.648 tors. eta vs tors. theta energy: -27.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -702.885902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.885902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.885902 (E_RNA) where: Base-Base interactions energy: -338.171 where: short stacking energy: -183.590 Base-Backbone interact. energy: 4.782 local terms energy: -369.497377 where: bonds (distance) C4'-P energy: -102.391 bonds (distance) P-C4' energy: -103.886 flat angles C4'-P-C4' energy: -107.571 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: 5.807 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: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -480.995124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.995124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.995124 (E_RNA) where: Base-Base interactions energy: -176.692 where: short stacking energy: -161.042 Base-Backbone interact. energy: 2.008 local terms energy: -306.311366 where: bonds (distance) C4'-P energy: -84.822 bonds (distance) P-C4' energy: -97.805 flat angles C4'-P-C4' energy: -83.441 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: 2.287 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: 346 Temperature: 0.900000 Total energy: -2190.485113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.485113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.485113 (E_RNA) where: Base-Base interactions energy: -1499.694 where: short stacking energy: -646.838 Base-Backbone interact. energy: -5.855 local terms energy: -684.936409 where: bonds (distance) C4'-P energy: -121.852 bonds (distance) P-C4' energy: -127.367 flat angles C4'-P-C4' energy: -146.171 flat angles P-C4'-P energy: -93.301 tors. eta vs tors. theta energy: -196.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2085.427622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.427622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.427622 (E_RNA) where: Base-Base interactions energy: -1435.096 where: short stacking energy: -602.984 Base-Backbone interact. energy: -6.250 local terms energy: -644.082274 where: bonds (distance) C4'-P energy: -122.377 bonds (distance) P-C4' energy: -123.827 flat angles C4'-P-C4' energy: -142.834 flat angles P-C4'-P energy: -79.790 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: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2006.000519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.000519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.000519 (E_RNA) where: Base-Base interactions energy: -1396.362 where: short stacking energy: -580.355 Base-Backbone interact. energy: 4.529 local terms energy: -614.167727 where: bonds (distance) C4'-P energy: -121.940 bonds (distance) P-C4' energy: -112.555 flat angles C4'-P-C4' energy: -135.782 flat angles P-C4'-P energy: -83.230 tors. eta vs tors. theta energy: -160.660 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: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1887.253084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.253084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.253084 (E_RNA) where: Base-Base interactions energy: -1266.523 where: short stacking energy: -517.390 Base-Backbone interact. energy: -0.538 local terms energy: -620.192153 where: bonds (distance) C4'-P energy: -114.381 bonds (distance) P-C4' energy: -123.026 flat angles C4'-P-C4' energy: -134.872 flat angles P-C4'-P energy: -87.166 tors. eta vs tors. theta energy: -160.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1843.594759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.594759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.594759 (E_RNA) where: Base-Base interactions energy: -1267.711 where: short stacking energy: -519.745 Base-Backbone interact. energy: -3.107 local terms energy: -572.776114 where: bonds (distance) C4'-P energy: -104.037 bonds (distance) P-C4' energy: -102.810 flat angles C4'-P-C4' energy: -138.183 flat angles P-C4'-P energy: -77.459 tors. eta vs tors. theta energy: -150.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1636.985059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.985059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.985059 (E_RNA) where: Base-Base interactions energy: -1092.599 where: short stacking energy: -494.781 Base-Backbone interact. energy: -1.648 local terms energy: -542.738274 where: bonds (distance) C4'-P energy: -97.386 bonds (distance) P-C4' energy: -115.248 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -74.324 tors. eta vs tors. theta energy: -132.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1318.230366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.230366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.230366 (E_RNA) where: Base-Base interactions energy: -823.777 where: short stacking energy: -397.909 Base-Backbone interact. energy: -0.899 local terms energy: -493.554594 where: bonds (distance) C4'-P energy: -106.454 bonds (distance) P-C4' energy: -118.533 flat angles C4'-P-C4' energy: -116.012 flat angles P-C4'-P energy: -60.866 tors. eta vs tors. theta energy: -91.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -944.905384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.905384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.905384 (E_RNA) where: Base-Base interactions energy: -507.022 where: short stacking energy: -262.728 Base-Backbone interact. energy: -0.112 local terms energy: -437.771048 where: bonds (distance) C4'-P energy: -114.234 bonds (distance) P-C4' energy: -121.208 flat angles C4'-P-C4' energy: -106.032 flat angles P-C4'-P energy: -54.684 tors. eta vs tors. theta energy: -41.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -691.339639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.339639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.339639 (E_RNA) where: Base-Base interactions energy: -337.964 where: short stacking energy: -204.356 Base-Backbone interact. energy: 4.131 local terms energy: -357.506914 where: bonds (distance) C4'-P energy: -111.713 bonds (distance) P-C4' energy: -125.574 flat angles C4'-P-C4' energy: -83.575 flat angles P-C4'-P energy: -35.133 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -559.348244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.348244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.348244 (E_RNA) where: Base-Base interactions energy: -238.419 where: short stacking energy: -143.806 Base-Backbone interact. energy: 0.879 local terms energy: -321.807668 where: bonds (distance) C4'-P energy: -101.287 bonds (distance) P-C4' energy: -114.297 flat angles C4'-P-C4' energy: -77.050 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: 15.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2183.064024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.064024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.064024 (E_RNA) where: Base-Base interactions energy: -1517.575 where: short stacking energy: -628.687 Base-Backbone interact. energy: 2.902 local terms energy: -668.390635 where: bonds (distance) C4'-P energy: -118.614 bonds (distance) P-C4' energy: -126.696 flat angles C4'-P-C4' energy: -136.548 flat angles P-C4'-P energy: -95.074 tors. eta vs tors. theta energy: -191.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2108.938492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.938492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.938492 (E_RNA) where: Base-Base interactions energy: -1423.369 where: short stacking energy: -601.935 Base-Backbone interact. energy: -4.726 local terms energy: -680.843592 where: bonds (distance) C4'-P energy: -131.095 bonds (distance) P-C4' energy: -137.365 flat angles C4'-P-C4' energy: -137.015 flat angles P-C4'-P energy: -96.290 tors. eta vs tors. theta energy: -179.079 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: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1987.650602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.650602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.650602 (E_RNA) where: Base-Base interactions energy: -1359.039 where: short stacking energy: -609.055 Base-Backbone interact. energy: -2.399 local terms energy: -626.212564 where: bonds (distance) C4'-P energy: -116.443 bonds (distance) P-C4' energy: -121.494 flat angles C4'-P-C4' energy: -115.851 flat angles P-C4'-P energy: -101.054 tors. eta vs tors. theta energy: -171.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1885.836779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.836779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.836779 (E_RNA) where: Base-Base interactions energy: -1285.309 where: short stacking energy: -546.742 Base-Backbone interact. energy: -1.365 local terms energy: -599.162984 where: bonds (distance) C4'-P energy: -112.890 bonds (distance) P-C4' energy: -116.082 flat angles C4'-P-C4' energy: -131.167 flat angles P-C4'-P energy: -89.079 tors. eta vs tors. theta energy: -149.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1824.522666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.522666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.522666 (E_RNA) where: Base-Base interactions energy: -1214.191 where: short stacking energy: -538.619 Base-Backbone interact. energy: -0.399 local terms energy: -609.932636 where: bonds (distance) C4'-P energy: -111.052 bonds (distance) P-C4' energy: -128.503 flat angles C4'-P-C4' energy: -129.354 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -155.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1578.217447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.217447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.217447 (E_RNA) where: Base-Base interactions energy: -1057.624 where: short stacking energy: -467.261 Base-Backbone interact. energy: -3.466 local terms energy: -517.126843 where: bonds (distance) C4'-P energy: -95.496 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -84.590 tors. eta vs tors. theta energy: -122.800 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: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1361.302036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.302036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.302036 (E_RNA) where: Base-Base interactions energy: -895.851 where: short stacking energy: -403.048 Base-Backbone interact. energy: -3.022 local terms energy: -462.429450 where: bonds (distance) C4'-P energy: -109.522 bonds (distance) P-C4' energy: -96.416 flat angles C4'-P-C4' energy: -106.032 flat angles P-C4'-P energy: -62.527 tors. eta vs tors. theta energy: -87.932 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: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -994.977663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.977663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.977663 (E_RNA) where: Base-Base interactions energy: -566.253 where: short stacking energy: -295.644 Base-Backbone interact. energy: -1.886 local terms energy: -426.838564 where: bonds (distance) C4'-P energy: -104.364 bonds (distance) P-C4' energy: -106.355 flat angles C4'-P-C4' energy: -109.050 flat angles P-C4'-P energy: -69.106 tors. eta vs tors. theta energy: -37.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -655.784721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.784721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.784721 (E_RNA) where: Base-Base interactions energy: -316.007 where: short stacking energy: -188.334 Base-Backbone interact. energy: -0.088 local terms energy: -339.689411 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -120.072 flat angles C4'-P-C4' energy: -83.453 flat angles P-C4'-P energy: -59.653 tors. eta vs tors. theta energy: 1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -572.780212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.780212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.780212 (E_RNA) where: Base-Base interactions energy: -233.779 where: short stacking energy: -141.639 Base-Backbone interact. energy: -1.681 local terms energy: -337.319880 where: bonds (distance) C4'-P energy: -81.495 bonds (distance) P-C4' energy: -107.665 flat angles C4'-P-C4' energy: -102.820 flat angles P-C4'-P energy: -64.788 tors. eta vs tors. theta energy: 19.449 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: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2194.619853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.619853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.619853 (E_RNA) where: Base-Base interactions energy: -1493.966 where: short stacking energy: -634.390 Base-Backbone interact. energy: 0.641 local terms energy: -701.293993 where: bonds (distance) C4'-P energy: -117.529 bonds (distance) P-C4' energy: -140.255 flat angles C4'-P-C4' energy: -146.521 flat angles P-C4'-P energy: -102.799 tors. eta vs tors. theta energy: -194.190 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: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2128.932818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.932818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.932818 (E_RNA) where: Base-Base interactions energy: -1444.390 where: short stacking energy: -603.177 Base-Backbone interact. energy: -3.132 local terms energy: -681.410864 where: bonds (distance) C4'-P energy: -130.943 bonds (distance) P-C4' energy: -125.829 flat angles C4'-P-C4' energy: -145.834 flat angles P-C4'-P energy: -91.074 tors. eta vs tors. theta energy: -187.730 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: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1977.665209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.665209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.665209 (E_RNA) where: Base-Base interactions energy: -1345.909 where: short stacking energy: -561.055 Base-Backbone interact. energy: 0.827 local terms energy: -632.583440 where: bonds (distance) C4'-P energy: -123.148 bonds (distance) P-C4' energy: -126.824 flat angles C4'-P-C4' energy: -128.465 flat angles P-C4'-P energy: -101.721 tors. eta vs tors. theta energy: -152.424 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: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1924.538878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.538878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.538878 (E_RNA) where: Base-Base interactions energy: -1344.883 where: short stacking energy: -565.530 Base-Backbone interact. energy: 0.329 local terms energy: -579.984869 where: bonds (distance) C4'-P energy: -98.022 bonds (distance) P-C4' energy: -103.912 flat angles C4'-P-C4' energy: -132.966 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -151.561 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: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1821.114881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.114881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.114881 (E_RNA) where: Base-Base interactions energy: -1248.125 where: short stacking energy: -550.737 Base-Backbone interact. energy: -1.490 local terms energy: -571.500300 where: bonds (distance) C4'-P energy: -89.410 bonds (distance) P-C4' energy: -119.682 flat angles C4'-P-C4' energy: -121.151 flat angles P-C4'-P energy: -89.890 tors. eta vs tors. theta energy: -151.367 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: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1609.844286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.844286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.844286 (E_RNA) where: Base-Base interactions energy: -1067.437 where: short stacking energy: -468.631 Base-Backbone interact. energy: -0.657 local terms energy: -541.749947 where: bonds (distance) C4'-P energy: -114.731 bonds (distance) P-C4' energy: -95.523 flat angles C4'-P-C4' energy: -127.152 flat angles P-C4'-P energy: -76.534 tors. eta vs tors. theta energy: -127.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1334.378556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.378556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.378556 (E_RNA) where: Base-Base interactions energy: -861.720 where: short stacking energy: -392.710 Base-Backbone interact. energy: 2.164 local terms energy: -474.822432 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -110.327 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -84.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -899.461483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.461483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.461483 (E_RNA) where: Base-Base interactions energy: -504.142 where: short stacking energy: -272.417 Base-Backbone interact. energy: -0.036 local terms energy: -395.283021 where: bonds (distance) C4'-P energy: -112.434 bonds (distance) P-C4' energy: -98.078 flat angles C4'-P-C4' energy: -93.178 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: -34.487 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: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -729.111262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.111262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.111262 (E_RNA) where: Base-Base interactions energy: -362.216 where: short stacking energy: -224.868 Base-Backbone interact. energy: 1.240 local terms energy: -368.134942 where: bonds (distance) C4'-P energy: -101.494 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -86.055 flat angles P-C4'-P energy: -56.361 tors. eta vs tors. theta energy: -22.834 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: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -510.272139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.272139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.272139 (E_RNA) where: Base-Base interactions energy: -232.819 where: short stacking energy: -174.312 Base-Backbone interact. energy: 2.427 local terms energy: -279.880245 where: bonds (distance) C4'-P energy: -79.601 bonds (distance) P-C4' energy: -101.404 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -32.253 tors. eta vs tors. theta energy: 5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2253.925692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.925692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.925692 (E_RNA) where: Base-Base interactions energy: -1539.308 where: short stacking energy: -669.870 Base-Backbone interact. energy: -0.724 local terms energy: -713.894481 where: bonds (distance) C4'-P energy: -127.608 bonds (distance) P-C4' energy: -112.039 flat angles C4'-P-C4' energy: -145.768 flat angles P-C4'-P energy: -119.407 tors. eta vs tors. theta energy: -209.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2111.952660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.952660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.952660 (E_RNA) where: Base-Base interactions energy: -1458.701 where: short stacking energy: -624.345 Base-Backbone interact. energy: -2.361 local terms energy: -650.890345 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -124.841 flat angles C4'-P-C4' energy: -138.235 flat angles P-C4'-P energy: -93.227 tors. eta vs tors. theta energy: -177.253 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: 349 Temperature: 1.000000 Total energy: -2020.820706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.820706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.820706 (E_RNA) where: Base-Base interactions energy: -1386.012 where: short stacking energy: -589.388 Base-Backbone interact. energy: -0.497 local terms energy: -634.311483 where: bonds (distance) C4'-P energy: -116.027 bonds (distance) P-C4' energy: -118.165 flat angles C4'-P-C4' energy: -132.355 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -179.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1823.527041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.527041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.527041 (E_RNA) where: Base-Base interactions energy: -1254.884 where: short stacking energy: -508.793 Base-Backbone interact. energy: 0.457 local terms energy: -569.099939 where: bonds (distance) C4'-P energy: -115.753 bonds (distance) P-C4' energy: -115.918 flat angles C4'-P-C4' energy: -130.202 flat angles P-C4'-P energy: -72.041 tors. eta vs tors. theta energy: -135.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1816.021859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.021859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.021859 (E_RNA) where: Base-Base interactions energy: -1217.877 where: short stacking energy: -528.618 Base-Backbone interact. energy: 0.300 local terms energy: -598.445451 where: bonds (distance) C4'-P energy: -119.137 bonds (distance) P-C4' energy: -109.951 flat angles C4'-P-C4' energy: -125.986 flat angles P-C4'-P energy: -84.581 tors. eta vs tors. theta energy: -158.790 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: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1656.580115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.580115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.580115 (E_RNA) where: Base-Base interactions energy: -1090.240 where: short stacking energy: -506.443 Base-Backbone interact. energy: -0.279 local terms energy: -566.060936 where: bonds (distance) C4'-P energy: -113.581 bonds (distance) P-C4' energy: -117.745 flat angles C4'-P-C4' energy: -143.507 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -120.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1352.581852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.581852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.581852 (E_RNA) where: Base-Base interactions energy: -842.628 where: short stacking energy: -378.645 Base-Backbone interact. energy: 0.573 local terms energy: -510.526211 where: bonds (distance) C4'-P energy: -110.764 bonds (distance) P-C4' energy: -123.624 flat angles C4'-P-C4' energy: -117.620 flat angles P-C4'-P energy: -80.172 tors. eta vs tors. theta energy: -78.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -986.584668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.584668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.584668 (E_RNA) where: Base-Base interactions energy: -555.299 where: short stacking energy: -287.663 Base-Backbone interact. energy: -2.606 local terms energy: -428.679941 where: bonds (distance) C4'-P energy: -111.199 bonds (distance) P-C4' energy: -114.286 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -72.531 tors. eta vs tors. theta energy: -33.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -740.000876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.000876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.000876 (E_RNA) where: Base-Base interactions energy: -390.355 where: short stacking energy: -223.425 Base-Backbone interact. energy: 3.017 local terms energy: -352.662928 where: bonds (distance) C4'-P energy: -95.298 bonds (distance) P-C4' energy: -109.911 flat angles C4'-P-C4' energy: -79.589 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -15.826 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: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -484.586622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.586622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.586622 (E_RNA) where: Base-Base interactions energy: -159.544 where: short stacking energy: -136.099 Base-Backbone interact. energy: 0.947 local terms energy: -325.990440 where: bonds (distance) C4'-P energy: -98.044 bonds (distance) P-C4' energy: -111.723 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: 30.375 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: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2210.758010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.758010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.758010 (E_RNA) where: Base-Base interactions energy: -1509.345 where: short stacking energy: -644.757 Base-Backbone interact. energy: -4.709 local terms energy: -696.703204 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -127.057 flat angles C4'-P-C4' energy: -148.886 flat angles P-C4'-P energy: -105.057 tors. eta vs tors. theta energy: -195.615 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: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2118.787428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.787428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.787428 (E_RNA) where: Base-Base interactions energy: -1456.132 where: short stacking energy: -618.474 Base-Backbone interact. energy: -5.375 local terms energy: -657.280740 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -119.722 flat angles C4'-P-C4' energy: -143.845 flat angles P-C4'-P energy: -85.991 tors. eta vs tors. theta energy: -181.125 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: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1970.172264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.172264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.172264 (E_RNA) where: Base-Base interactions energy: -1342.412 where: short stacking energy: -560.976 Base-Backbone interact. energy: -5.026 local terms energy: -622.733996 where: bonds (distance) C4'-P energy: -131.948 bonds (distance) P-C4' energy: -122.150 flat angles C4'-P-C4' energy: -135.425 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: -159.538 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: 350 Temperature: 1.050000 Total energy: -1882.871014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.871014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.871014 (E_RNA) where: Base-Base interactions energy: -1293.352 where: short stacking energy: -512.167 Base-Backbone interact. energy: -2.187 local terms energy: -587.331473 where: bonds (distance) C4'-P energy: -120.200 bonds (distance) P-C4' energy: -127.600 flat angles C4'-P-C4' energy: -126.206 flat angles P-C4'-P energy: -78.525 tors. eta vs tors. theta energy: -134.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1775.781530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.781530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.781530 (E_RNA) where: Base-Base interactions energy: -1215.670 where: short stacking energy: -527.767 Base-Backbone interact. energy: -2.733 local terms energy: -557.378085 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -103.733 flat angles C4'-P-C4' energy: -125.238 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -141.445 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: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1576.645581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.645581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.645581 (E_RNA) where: Base-Base interactions energy: -1054.207 where: short stacking energy: -439.139 Base-Backbone interact. energy: -1.966 local terms energy: -520.472759 where: bonds (distance) C4'-P energy: -103.129 bonds (distance) P-C4' energy: -107.354 flat angles C4'-P-C4' energy: -121.082 flat angles P-C4'-P energy: -78.163 tors. eta vs tors. theta energy: -110.745 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: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1325.204125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.204125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.204125 (E_RNA) where: Base-Base interactions energy: -838.731 where: short stacking energy: -383.340 Base-Backbone interact. energy: 1.347 local terms energy: -487.820877 where: bonds (distance) C4'-P energy: -111.782 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -106.072 flat angles P-C4'-P energy: -75.199 tors. eta vs tors. theta energy: -85.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -934.387398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.387398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.387398 (E_RNA) where: Base-Base interactions energy: -520.599 where: short stacking energy: -281.376 Base-Backbone interact. energy: 3.135 local terms energy: -416.923069 where: bonds (distance) C4'-P energy: -100.833 bonds (distance) P-C4' energy: -128.838 flat angles C4'-P-C4' energy: -98.827 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -26.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -740.066674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.066674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.066674 (E_RNA) where: Base-Base interactions energy: -389.366 where: short stacking energy: -231.380 Base-Backbone interact. energy: -1.723 local terms energy: -348.977787 where: bonds (distance) C4'-P energy: -118.154 bonds (distance) P-C4' energy: -80.494 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -46.734 tors. eta vs tors. theta energy: -22.680 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: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -475.024706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.024706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.024706 (E_RNA) where: Base-Base interactions energy: -194.625 where: short stacking energy: -148.863 Base-Backbone interact. energy: 8.404 local terms energy: -288.804139 where: bonds (distance) C4'-P energy: -82.358 bonds (distance) P-C4' energy: -98.468 flat angles C4'-P-C4' energy: -85.100 flat angles P-C4'-P energy: -53.791 tors. eta vs tors. theta energy: 30.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2217.178641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.178641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.178641 (E_RNA) where: Base-Base interactions energy: -1519.048 where: short stacking energy: -645.017 Base-Backbone interact. energy: -5.745 local terms energy: -692.385265 where: bonds (distance) C4'-P energy: -121.364 bonds (distance) P-C4' energy: -122.014 flat angles C4'-P-C4' energy: -148.550 flat angles P-C4'-P energy: -95.846 tors. eta vs tors. theta energy: -204.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2104.318812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.318812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.318812 (E_RNA) where: Base-Base interactions energy: -1452.965 where: short stacking energy: -616.358 Base-Backbone interact. energy: -2.363 local terms energy: -648.991283 where: bonds (distance) C4'-P energy: -128.053 bonds (distance) P-C4' energy: -106.948 flat angles C4'-P-C4' energy: -139.292 flat angles P-C4'-P energy: -90.894 tors. eta vs tors. theta energy: -183.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1971.132591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.132591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.132591 (E_RNA) where: Base-Base interactions energy: -1344.674 where: short stacking energy: -565.944 Base-Backbone interact. energy: 0.251 local terms energy: -626.709520 where: bonds (distance) C4'-P energy: -133.493 bonds (distance) P-C4' energy: -121.814 flat angles C4'-P-C4' energy: -122.679 flat angles P-C4'-P energy: -95.049 tors. eta vs tors. theta energy: -153.674 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: 351 Temperature: 1.050000 Total energy: -1913.832320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.832320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.832320 (E_RNA) where: Base-Base interactions energy: -1317.729 where: short stacking energy: -546.726 Base-Backbone interact. energy: -0.866 local terms energy: -595.237320 where: bonds (distance) C4'-P energy: -113.601 bonds (distance) P-C4' energy: -116.428 flat angles C4'-P-C4' energy: -136.928 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -143.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1837.783082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.783082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.783082 (E_RNA) where: Base-Base interactions energy: -1259.643 where: short stacking energy: -555.241 Base-Backbone interact. energy: -3.594 local terms energy: -574.546569 where: bonds (distance) C4'-P energy: -86.505 bonds (distance) P-C4' energy: -110.283 flat angles C4'-P-C4' energy: -129.964 flat angles P-C4'-P energy: -90.014 tors. eta vs tors. theta energy: -157.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1616.125304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.125304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.125304 (E_RNA) where: Base-Base interactions energy: -1074.686 where: short stacking energy: -460.005 Base-Backbone interact. energy: -2.984 local terms energy: -538.456237 where: bonds (distance) C4'-P energy: -100.517 bonds (distance) P-C4' energy: -121.139 flat angles C4'-P-C4' energy: -123.934 flat angles P-C4'-P energy: -75.198 tors. eta vs tors. theta energy: -117.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1333.896987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.896987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.896987 (E_RNA) where: Base-Base interactions energy: -859.439 where: short stacking energy: -424.115 Base-Backbone interact. energy: 4.761 local terms energy: -479.218826 where: bonds (distance) C4'-P energy: -97.860 bonds (distance) P-C4' energy: -115.895 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -82.314 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: 351 Temperature: 1.250000 Total energy: -913.913423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.913423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.913423 (E_RNA) where: Base-Base interactions energy: -537.568 where: short stacking energy: -251.506 Base-Backbone interact. energy: 1.465 local terms energy: -377.810132 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -114.078 flat angles C4'-P-C4' energy: -107.644 flat angles P-C4'-P energy: -43.852 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: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -801.175227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.175227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.175227 (E_RNA) where: Base-Base interactions energy: -456.471 where: short stacking energy: -254.679 Base-Backbone interact. energy: 3.687 local terms energy: -348.391555 where: bonds (distance) C4'-P energy: -88.433 bonds (distance) P-C4' energy: -114.182 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -53.761 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: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -494.016854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.016854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.016854 (E_RNA) where: Base-Base interactions energy: -163.713 where: short stacking energy: -146.224 Base-Backbone interact. energy: 8.617 local terms energy: -338.920421 where: bonds (distance) C4'-P energy: -83.632 bonds (distance) P-C4' energy: -96.086 flat angles C4'-P-C4' energy: -101.456 flat angles P-C4'-P energy: -62.864 tors. eta vs tors. theta energy: 5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2224.554326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.554326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.554326 (E_RNA) where: Base-Base interactions energy: -1526.439 where: short stacking energy: -645.274 Base-Backbone interact. energy: -2.661 local terms energy: -695.454224 where: bonds (distance) C4'-P energy: -139.193 bonds (distance) P-C4' energy: -129.689 flat angles C4'-P-C4' energy: -127.879 flat angles P-C4'-P energy: -90.021 tors. eta vs tors. theta energy: -208.672 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: 352 Temperature: 0.950000 Total energy: -2076.898208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.898208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.898208 (E_RNA) where: Base-Base interactions energy: -1432.716 where: short stacking energy: -601.550 Base-Backbone interact. energy: -3.780 local terms energy: -640.403099 where: bonds (distance) C4'-P energy: -111.339 bonds (distance) P-C4' energy: -129.544 flat angles C4'-P-C4' energy: -140.899 flat angles P-C4'-P energy: -89.445 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: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1988.960263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.960263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.960263 (E_RNA) where: Base-Base interactions energy: -1363.704 where: short stacking energy: -594.162 Base-Backbone interact. energy: -0.922 local terms energy: -624.334649 where: bonds (distance) C4'-P energy: -123.619 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -126.975 flat angles P-C4'-P energy: -84.595 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: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1894.903435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.903435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.903435 (E_RNA) where: Base-Base interactions energy: -1299.592 where: short stacking energy: -539.892 Base-Backbone interact. energy: -0.812 local terms energy: -594.499492 where: bonds (distance) C4'-P energy: -127.116 bonds (distance) P-C4' energy: -116.694 flat angles C4'-P-C4' energy: -129.946 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -143.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1844.736915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.736915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.736915 (E_RNA) where: Base-Base interactions energy: -1263.754 where: short stacking energy: -548.800 Base-Backbone interact. energy: -0.938 local terms energy: -580.044961 where: bonds (distance) C4'-P energy: -97.693 bonds (distance) P-C4' energy: -104.341 flat angles C4'-P-C4' energy: -125.023 flat angles P-C4'-P energy: -77.519 tors. eta vs tors. theta energy: -175.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1676.592630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.592630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.592630 (E_RNA) where: Base-Base interactions energy: -1114.567 where: short stacking energy: -483.002 Base-Backbone interact. energy: -0.308 local terms energy: -561.716919 where: bonds (distance) C4'-P energy: -113.875 bonds (distance) P-C4' energy: -117.994 flat angles C4'-P-C4' energy: -110.311 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -124.531 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1267.167020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.167020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.167020 (E_RNA) where: Base-Base interactions energy: -798.257 where: short stacking energy: -390.528 Base-Backbone interact. energy: 3.724 local terms energy: -472.634760 where: bonds (distance) C4'-P energy: -96.091 bonds (distance) P-C4' energy: -122.212 flat angles C4'-P-C4' energy: -112.009 flat angles P-C4'-P energy: -56.031 tors. eta vs tors. theta energy: -86.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -935.200734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.200734 (E_RNA) where: Base-Base interactions energy: -503.718 where: short stacking energy: -288.069 Base-Backbone interact. energy: -1.150 local terms energy: -430.332589 where: bonds (distance) C4'-P energy: -103.021 bonds (distance) P-C4' energy: -109.840 flat angles C4'-P-C4' energy: -107.854 flat angles P-C4'-P energy: -62.429 tors. eta vs tors. theta energy: -47.189 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: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -764.507928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.507928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.507928 (E_RNA) where: Base-Base interactions energy: -410.771 where: short stacking energy: -210.699 Base-Backbone interact. energy: 5.882 local terms energy: -359.619023 where: bonds (distance) C4'-P energy: -105.905 bonds (distance) P-C4' energy: -102.288 flat angles C4'-P-C4' energy: -105.044 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -498.514197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.514197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.514197 (E_RNA) where: Base-Base interactions energy: -196.981 where: short stacking energy: -142.875 Base-Backbone interact. energy: -1.290 local terms energy: -300.242468 where: bonds (distance) C4'-P energy: -109.813 bonds (distance) P-C4' energy: -101.446 flat angles C4'-P-C4' energy: -72.424 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: 31.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2228.802392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.802392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.802392 (E_RNA) where: Base-Base interactions energy: -1511.333 where: short stacking energy: -668.930 Base-Backbone interact. energy: -2.752 local terms energy: -714.717680 where: bonds (distance) C4'-P energy: -131.638 bonds (distance) P-C4' energy: -140.366 flat angles C4'-P-C4' energy: -141.675 flat angles P-C4'-P energy: -103.640 tors. eta vs tors. theta energy: -197.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2116.962512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.962512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.962512 (E_RNA) where: Base-Base interactions energy: -1459.184 where: short stacking energy: -611.355 Base-Backbone interact. energy: -5.180 local terms energy: -652.598970 where: bonds (distance) C4'-P energy: -117.047 bonds (distance) P-C4' energy: -124.906 flat angles C4'-P-C4' energy: -144.810 flat angles P-C4'-P energy: -90.073 tors. eta vs tors. theta energy: -175.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2041.453799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.453799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.453799 (E_RNA) where: Base-Base interactions energy: -1378.787 where: short stacking energy: -600.644 Base-Backbone interact. energy: -2.634 local terms energy: -660.032040 where: bonds (distance) C4'-P energy: -127.888 bonds (distance) P-C4' energy: -130.168 flat angles C4'-P-C4' energy: -142.328 flat angles P-C4'-P energy: -92.159 tors. eta vs tors. theta energy: -167.489 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: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1859.316517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.316517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.316517 (E_RNA) where: Base-Base interactions energy: -1293.048 where: short stacking energy: -550.664 Base-Backbone interact. energy: 4.002 local terms energy: -570.270571 where: bonds (distance) C4'-P energy: -107.049 bonds (distance) P-C4' energy: -109.808 flat angles C4'-P-C4' energy: -120.152 flat angles P-C4'-P energy: -88.246 tors. eta vs tors. theta energy: -145.016 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: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1808.120905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.120905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.120905 (E_RNA) where: Base-Base interactions energy: -1192.507 where: short stacking energy: -549.749 Base-Backbone interact. energy: -6.120 local terms energy: -609.494533 where: bonds (distance) C4'-P energy: -124.920 bonds (distance) P-C4' energy: -115.489 flat angles C4'-P-C4' energy: -128.171 flat angles P-C4'-P energy: -84.136 tors. eta vs tors. theta energy: -156.778 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1656.214862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.214862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.214862 (E_RNA) where: Base-Base interactions energy: -1119.444 where: short stacking energy: -519.471 Base-Backbone interact. energy: -2.212 local terms energy: -534.558457 where: bonds (distance) C4'-P energy: -95.347 bonds (distance) P-C4' energy: -113.372 flat angles C4'-P-C4' energy: -116.008 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -142.064 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: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1271.582664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.582664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.582664 (E_RNA) where: Base-Base interactions energy: -818.211 where: short stacking energy: -382.158 Base-Backbone interact. energy: -0.846 local terms energy: -452.525547 where: bonds (distance) C4'-P energy: -108.220 bonds (distance) P-C4' energy: -103.486 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -53.974 tors. eta vs tors. theta energy: -76.354 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: 353 Temperature: 1.250000 Total energy: -843.161846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.161846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.161846 (E_RNA) where: Base-Base interactions energy: -447.311 where: short stacking energy: -227.009 Base-Backbone interact. energy: -0.002 local terms energy: -395.848860 where: bonds (distance) C4'-P energy: -113.568 bonds (distance) P-C4' energy: -118.476 flat angles C4'-P-C4' energy: -72.039 flat angles P-C4'-P energy: -77.189 tors. eta vs tors. theta energy: -14.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -766.263592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.263592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.263592 (E_RNA) where: Base-Base interactions energy: -427.180 where: short stacking energy: -211.255 Base-Backbone interact. energy: -3.668 local terms energy: -335.415197 where: bonds (distance) C4'-P energy: -88.344 bonds (distance) P-C4' energy: -102.423 flat angles C4'-P-C4' energy: -99.022 flat angles P-C4'-P energy: -37.184 tors. eta vs tors. theta energy: -8.443 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: 10, replica: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -529.869355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.869355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.869355 (E_RNA) where: Base-Base interactions energy: -192.739 where: short stacking energy: -168.954 Base-Backbone interact. energy: -2.150 local terms energy: -334.980484 where: bonds (distance) C4'-P energy: -73.448 bonds (distance) P-C4' energy: -115.867 flat angles C4'-P-C4' energy: -106.275 flat angles P-C4'-P energy: -47.509 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: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2217.938731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.938731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.938731 (E_RNA) where: Base-Base interactions energy: -1515.016 where: short stacking energy: -656.999 Base-Backbone interact. energy: -2.340 local terms energy: -700.582883 where: bonds (distance) C4'-P energy: -139.182 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -135.071 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -198.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2089.162916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.162916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.162916 (E_RNA) where: Base-Base interactions energy: -1432.386 where: short stacking energy: -600.385 Base-Backbone interact. energy: -4.867 local terms energy: -651.909712 where: bonds (distance) C4'-P energy: -125.158 bonds (distance) P-C4' energy: -126.088 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -97.874 tors. eta vs tors. theta energy: -176.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2007.630346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.630346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.630346 (E_RNA) where: Base-Base interactions energy: -1389.181 where: short stacking energy: -619.346 Base-Backbone interact. energy: -5.854 local terms energy: -612.594920 where: bonds (distance) C4'-P energy: -101.911 bonds (distance) P-C4' energy: -116.528 flat angles C4'-P-C4' energy: -135.442 flat angles P-C4'-P energy: -88.794 tors. eta vs tors. theta energy: -169.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1867.742357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.742357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.742357 (E_RNA) where: Base-Base interactions energy: -1269.966 where: short stacking energy: -512.352 Base-Backbone interact. energy: -5.000 local terms energy: -592.776379 where: bonds (distance) C4'-P energy: -111.228 bonds (distance) P-C4' energy: -136.418 flat angles C4'-P-C4' energy: -137.149 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -131.016 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: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1791.122831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.122831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.122831 (E_RNA) where: Base-Base interactions energy: -1210.135 where: short stacking energy: -537.280 Base-Backbone interact. energy: 0.112 local terms energy: -581.099797 where: bonds (distance) C4'-P energy: -105.664 bonds (distance) P-C4' energy: -111.053 flat angles C4'-P-C4' energy: -127.100 flat angles P-C4'-P energy: -83.331 tors. eta vs tors. theta energy: -153.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1614.044294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.044294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.044294 (E_RNA) where: Base-Base interactions energy: -1059.591 where: short stacking energy: -480.198 Base-Backbone interact. energy: -1.284 local terms energy: -553.168835 where: bonds (distance) C4'-P energy: -111.249 bonds (distance) P-C4' energy: -118.581 flat angles C4'-P-C4' energy: -128.653 flat angles P-C4'-P energy: -67.537 tors. eta vs tors. theta energy: -127.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1338.323378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.323378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.323378 (E_RNA) where: Base-Base interactions energy: -863.454 where: short stacking energy: -396.979 Base-Backbone interact. energy: -0.554 local terms energy: -474.315500 where: bonds (distance) C4'-P energy: -101.247 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -102.134 flat angles P-C4'-P energy: -86.605 tors. eta vs tors. theta energy: -78.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -889.311431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.311431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.311431 (E_RNA) where: Base-Base interactions energy: -482.636 where: short stacking energy: -250.636 Base-Backbone interact. energy: -0.148 local terms energy: -406.526668 where: bonds (distance) C4'-P energy: -104.550 bonds (distance) P-C4' energy: -121.176 flat angles C4'-P-C4' energy: -97.950 flat angles P-C4'-P energy: -69.446 tors. eta vs tors. theta energy: -13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -733.973205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.973205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.973205 (E_RNA) where: Base-Base interactions energy: -397.428 where: short stacking energy: -235.189 Base-Backbone interact. energy: -1.639 local terms energy: -334.905643 where: bonds (distance) C4'-P energy: -105.678 bonds (distance) P-C4' energy: -99.871 flat angles C4'-P-C4' energy: -70.199 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -14.077 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: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -524.873859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.873859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.873859 (E_RNA) where: Base-Base interactions energy: -225.265 where: short stacking energy: -147.719 Base-Backbone interact. energy: -2.781 local terms energy: -296.827834 where: bonds (distance) C4'-P energy: -102.819 bonds (distance) P-C4' energy: -121.106 flat angles C4'-P-C4' energy: -52.929 flat angles P-C4'-P energy: -49.023 tors. eta vs tors. theta energy: 29.050 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: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2250.049841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.049841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.049841 (E_RNA) where: Base-Base interactions energy: -1547.277 where: short stacking energy: -672.324 Base-Backbone interact. energy: -3.118 local terms energy: -699.654141 where: bonds (distance) C4'-P energy: -128.772 bonds (distance) P-C4' energy: -133.275 flat angles C4'-P-C4' energy: -151.694 flat angles P-C4'-P energy: -91.122 tors. eta vs tors. theta energy: -194.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2059.824479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.824479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.824479 (E_RNA) where: Base-Base interactions energy: -1436.125 where: short stacking energy: -583.763 Base-Backbone interact. energy: -0.983 local terms energy: -622.716938 where: bonds (distance) C4'-P energy: -118.372 bonds (distance) P-C4' energy: -118.598 flat angles C4'-P-C4' energy: -134.452 flat angles P-C4'-P energy: -93.422 tors. eta vs tors. theta energy: -157.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2034.871223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.871223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.871223 (E_RNA) where: Base-Base interactions energy: -1423.188 where: short stacking energy: -575.635 Base-Backbone interact. energy: -1.324 local terms energy: -610.359364 where: bonds (distance) C4'-P energy: -102.914 bonds (distance) P-C4' energy: -123.354 flat angles C4'-P-C4' energy: -123.980 flat angles P-C4'-P energy: -93.229 tors. eta vs tors. theta energy: -166.883 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: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1905.891472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.891472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.891472 (E_RNA) where: Base-Base interactions energy: -1310.951 where: short stacking energy: -568.751 Base-Backbone interact. energy: -4.696 local terms energy: -590.245038 where: bonds (distance) C4'-P energy: -118.001 bonds (distance) P-C4' energy: -110.252 flat angles C4'-P-C4' energy: -130.674 flat angles P-C4'-P energy: -79.605 tors. eta vs tors. theta energy: -151.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1755.846870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.846870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.846870 (E_RNA) where: Base-Base interactions energy: -1178.626 where: short stacking energy: -507.175 Base-Backbone interact. energy: -1.024 local terms energy: -576.197178 where: bonds (distance) C4'-P energy: -100.425 bonds (distance) P-C4' energy: -118.950 flat angles C4'-P-C4' energy: -144.934 flat angles P-C4'-P energy: -65.163 tors. eta vs tors. theta energy: -146.725 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: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1672.502832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.502832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.502832 (E_RNA) where: Base-Base interactions energy: -1109.051 where: short stacking energy: -512.198 Base-Backbone interact. energy: -0.537 local terms energy: -562.915323 where: bonds (distance) C4'-P energy: -102.343 bonds (distance) P-C4' energy: -102.033 flat angles C4'-P-C4' energy: -120.729 flat angles P-C4'-P energy: -93.424 tors. eta vs tors. theta energy: -144.386 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: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1339.257822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.257822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.257822 (E_RNA) where: Base-Base interactions energy: -841.291 where: short stacking energy: -405.766 Base-Backbone interact. energy: -2.348 local terms energy: -495.618107 where: bonds (distance) C4'-P energy: -108.184 bonds (distance) P-C4' energy: -125.732 flat angles C4'-P-C4' energy: -109.755 flat angles P-C4'-P energy: -60.177 tors. eta vs tors. theta energy: -91.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -871.022469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.022469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.022469 (E_RNA) where: Base-Base interactions energy: -496.789 where: short stacking energy: -269.201 Base-Backbone interact. energy: 9.349 local terms energy: -383.582698 where: bonds (distance) C4'-P energy: -87.592 bonds (distance) P-C4' energy: -123.446 flat angles C4'-P-C4' energy: -103.034 flat angles P-C4'-P energy: -41.680 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: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -847.548315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.548315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.548315 (E_RNA) where: Base-Base interactions energy: -444.901 where: short stacking energy: -229.187 Base-Backbone interact. energy: -0.800 local terms energy: -401.847551 where: bonds (distance) C4'-P energy: -118.311 bonds (distance) P-C4' energy: -110.457 flat angles C4'-P-C4' energy: -83.072 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -36.461 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: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -523.095663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.095663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.095663 (E_RNA) where: Base-Base interactions energy: -204.164 where: short stacking energy: -139.585 Base-Backbone interact. energy: 1.557 local terms energy: -320.488769 where: bonds (distance) C4'-P energy: -90.531 bonds (distance) P-C4' energy: -108.413 flat angles C4'-P-C4' energy: -87.493 flat angles P-C4'-P energy: -61.846 tors. eta vs tors. theta energy: 27.794 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: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2195.424096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.424096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.424096 (E_RNA) where: Base-Base interactions energy: -1507.707 where: short stacking energy: -653.503 Base-Backbone interact. energy: -2.337 local terms energy: -685.380181 where: bonds (distance) C4'-P energy: -116.505 bonds (distance) P-C4' energy: -130.432 flat angles C4'-P-C4' energy: -151.978 flat angles P-C4'-P energy: -86.003 tors. eta vs tors. theta energy: -200.462 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: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2046.088342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.088342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.088342 (E_RNA) where: Base-Base interactions energy: -1406.816 where: short stacking energy: -593.059 Base-Backbone interact. energy: -4.773 local terms energy: -634.499267 where: bonds (distance) C4'-P energy: -116.324 bonds (distance) P-C4' energy: -118.787 flat angles C4'-P-C4' energy: -140.633 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -165.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2027.865659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.865659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.865659 (E_RNA) where: Base-Base interactions energy: -1395.964 where: short stacking energy: -580.527 Base-Backbone interact. energy: -5.679 local terms energy: -626.223080 where: bonds (distance) C4'-P energy: -117.793 bonds (distance) P-C4' energy: -121.613 flat angles C4'-P-C4' energy: -123.472 flat angles P-C4'-P energy: -92.138 tors. eta vs tors. theta energy: -171.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1876.471366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.471366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.471366 (E_RNA) where: Base-Base interactions energy: -1281.763 where: short stacking energy: -532.279 Base-Backbone interact. energy: -0.166 local terms energy: -594.541909 where: bonds (distance) C4'-P energy: -101.983 bonds (distance) P-C4' energy: -116.390 flat angles C4'-P-C4' energy: -135.677 flat angles P-C4'-P energy: -80.890 tors. eta vs tors. theta energy: -159.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1758.237913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.237913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.237913 (E_RNA) where: Base-Base interactions energy: -1149.320 where: short stacking energy: -466.688 Base-Backbone interact. energy: -0.367 local terms energy: -608.550923 where: bonds (distance) C4'-P energy: -113.407 bonds (distance) P-C4' energy: -136.104 flat angles C4'-P-C4' energy: -131.842 flat angles P-C4'-P energy: -77.941 tors. eta vs tors. theta energy: -149.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1616.760878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.760878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.760878 (E_RNA) where: Base-Base interactions energy: -1081.474 where: short stacking energy: -476.096 Base-Backbone interact. energy: -0.981 local terms energy: -534.306015 where: bonds (distance) C4'-P energy: -118.237 bonds (distance) P-C4' energy: -114.228 flat angles C4'-P-C4' energy: -111.827 flat angles P-C4'-P energy: -62.662 tors. eta vs tors. theta energy: -127.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1327.682566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.682566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.682566 (E_RNA) where: Base-Base interactions energy: -824.496 where: short stacking energy: -397.635 Base-Backbone interact. energy: -0.468 local terms energy: -502.718032 where: bonds (distance) C4'-P energy: -121.874 bonds (distance) P-C4' energy: -109.599 flat angles C4'-P-C4' energy: -115.791 flat angles P-C4'-P energy: -60.259 tors. eta vs tors. theta energy: -95.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -905.378818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.378818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.378818 (E_RNA) where: Base-Base interactions energy: -465.108 where: short stacking energy: -243.552 Base-Backbone interact. energy: -4.671 local terms energy: -435.599654 where: bonds (distance) C4'-P energy: -110.655 bonds (distance) P-C4' energy: -113.501 flat angles C4'-P-C4' energy: -117.888 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -24.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -835.390472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.390472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.390472 (E_RNA) where: Base-Base interactions energy: -470.784 where: short stacking energy: -256.257 Base-Backbone interact. energy: -1.420 local terms energy: -363.186738 where: bonds (distance) C4'-P energy: -99.851 bonds (distance) P-C4' energy: -90.410 flat angles C4'-P-C4' energy: -93.610 flat angles P-C4'-P energy: -51.381 tors. eta vs tors. theta energy: -27.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -574.359849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.359849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.359849 (E_RNA) where: Base-Base interactions energy: -247.801 where: short stacking energy: -168.935 Base-Backbone interact. energy: -2.384 local terms energy: -324.174262 where: bonds (distance) C4'-P energy: -110.347 bonds (distance) P-C4' energy: -103.741 flat angles C4'-P-C4' energy: -69.549 flat angles P-C4'-P energy: -52.251 tors. eta vs tors. theta energy: 11.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2195.373803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.373803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.373803 (E_RNA) where: Base-Base interactions energy: -1518.468 where: short stacking energy: -643.360 Base-Backbone interact. energy: -3.156 local terms energy: -673.749294 where: bonds (distance) C4'-P energy: -119.250 bonds (distance) P-C4' energy: -126.126 flat angles C4'-P-C4' energy: -145.808 flat angles P-C4'-P energy: -86.940 tors. eta vs tors. theta energy: -195.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2063.719548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.719548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.719548 (E_RNA) where: Base-Base interactions energy: -1410.879 where: short stacking energy: -596.210 Base-Backbone interact. energy: -2.829 local terms energy: -650.011865 where: bonds (distance) C4'-P energy: -127.139 bonds (distance) P-C4' energy: -123.814 flat angles C4'-P-C4' energy: -139.586 flat angles P-C4'-P energy: -95.221 tors. eta vs tors. theta energy: -164.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2086.440365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.440365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.440365 (E_RNA) where: Base-Base interactions energy: -1425.858 where: short stacking energy: -589.970 Base-Backbone interact. energy: -1.288 local terms energy: -659.294255 where: bonds (distance) C4'-P energy: -122.092 bonds (distance) P-C4' energy: -123.680 flat angles C4'-P-C4' energy: -149.327 flat angles P-C4'-P energy: -89.762 tors. eta vs tors. theta energy: -174.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1892.252944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.252944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.252944 (E_RNA) where: Base-Base interactions energy: -1288.383 where: short stacking energy: -564.319 Base-Backbone interact. energy: -3.791 local terms energy: -600.079484 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -126.535 flat angles C4'-P-C4' energy: -125.170 flat angles P-C4'-P energy: -85.526 tors. eta vs tors. theta energy: -155.404 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: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1761.365395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.365395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.365395 (E_RNA) where: Base-Base interactions energy: -1166.558 where: short stacking energy: -522.786 Base-Backbone interact. energy: 1.230 local terms energy: -596.037804 where: bonds (distance) C4'-P energy: -113.425 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -128.906 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -143.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1584.088814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.088814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.088814 (E_RNA) where: Base-Base interactions energy: -1052.403 where: short stacking energy: -478.210 Base-Backbone interact. energy: 2.249 local terms energy: -533.934982 where: bonds (distance) C4'-P energy: -121.297 bonds (distance) P-C4' energy: -117.117 flat angles C4'-P-C4' energy: -111.700 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: -123.547 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1270.981685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.981685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.981685 (E_RNA) where: Base-Base interactions energy: -800.993 where: short stacking energy: -395.693 Base-Backbone interact. energy: -1.151 local terms energy: -468.837728 where: bonds (distance) C4'-P energy: -109.624 bonds (distance) P-C4' energy: -104.235 flat angles C4'-P-C4' energy: -109.937 flat angles P-C4'-P energy: -56.820 tors. eta vs tors. theta energy: -88.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -898.897602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.897602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.897602 (E_RNA) where: Base-Base interactions energy: -478.177 where: short stacking energy: -250.794 Base-Backbone interact. energy: -1.453 local terms energy: -419.267513 where: bonds (distance) C4'-P energy: -110.947 bonds (distance) P-C4' energy: -113.113 flat angles C4'-P-C4' energy: -99.119 flat angles P-C4'-P energy: -58.864 tors. eta vs tors. theta energy: -37.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -861.488136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.488136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.488136 (E_RNA) where: Base-Base interactions energy: -485.792 where: short stacking energy: -244.973 Base-Backbone interact. energy: 2.293 local terms energy: -377.989379 where: bonds (distance) C4'-P energy: -110.953 bonds (distance) P-C4' energy: -85.377 flat angles C4'-P-C4' energy: -89.103 flat angles P-C4'-P energy: -62.659 tors. eta vs tors. theta energy: -29.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -625.498036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.498036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.498036 (E_RNA) where: Base-Base interactions energy: -301.842 where: short stacking energy: -163.327 Base-Backbone interact. energy: 1.164 local terms energy: -324.819404 where: bonds (distance) C4'-P energy: -86.120 bonds (distance) P-C4' energy: -117.992 flat angles C4'-P-C4' energy: -82.741 flat angles P-C4'-P energy: -39.444 tors. eta vs tors. theta energy: 1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2203.384340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.384340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.384340 (E_RNA) where: Base-Base interactions energy: -1510.694 where: short stacking energy: -646.647 Base-Backbone interact. energy: -2.773 local terms energy: -689.916796 where: bonds (distance) C4'-P energy: -128.546 bonds (distance) P-C4' energy: -118.696 flat angles C4'-P-C4' energy: -145.915 flat angles P-C4'-P energy: -101.767 tors. eta vs tors. theta energy: -194.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2003.401089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.401089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.401089 (E_RNA) where: Base-Base interactions energy: -1357.074 where: short stacking energy: -591.699 Base-Backbone interact. energy: -0.737 local terms energy: -645.590413 where: bonds (distance) C4'-P energy: -132.102 bonds (distance) P-C4' energy: -119.373 flat angles C4'-P-C4' energy: -141.617 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -173.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2036.029026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.029026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.029026 (E_RNA) where: Base-Base interactions energy: -1419.433 where: short stacking energy: -580.761 Base-Backbone interact. energy: 1.541 local terms energy: -618.136346 where: bonds (distance) C4'-P energy: -95.671 bonds (distance) P-C4' energy: -112.686 flat angles C4'-P-C4' energy: -146.020 flat angles P-C4'-P energy: -86.631 tors. eta vs tors. theta energy: -177.129 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: 358 Temperature: 1.050000 Total energy: -1900.844753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.844753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.844753 (E_RNA) where: Base-Base interactions energy: -1299.345 where: short stacking energy: -567.812 Base-Backbone interact. energy: -1.458 local terms energy: -600.041626 where: bonds (distance) C4'-P energy: -96.800 bonds (distance) P-C4' energy: -119.992 flat angles C4'-P-C4' energy: -130.932 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -157.263 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: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1769.219954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.219954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.219954 (E_RNA) where: Base-Base interactions energy: -1199.997 where: short stacking energy: -542.067 Base-Backbone interact. energy: -2.522 local terms energy: -566.701195 where: bonds (distance) C4'-P energy: -94.879 bonds (distance) P-C4' energy: -107.289 flat angles C4'-P-C4' energy: -124.237 flat angles P-C4'-P energy: -87.077 tors. eta vs tors. theta energy: -153.220 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: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1571.375593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.375593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.375593 (E_RNA) where: Base-Base interactions energy: -1039.569 where: short stacking energy: -450.774 Base-Backbone interact. energy: -3.399 local terms energy: -528.407008 where: bonds (distance) C4'-P energy: -103.955 bonds (distance) P-C4' energy: -111.209 flat angles C4'-P-C4' energy: -121.641 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: -115.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1253.735230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.735230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.735230 (E_RNA) where: Base-Base interactions energy: -746.271 where: short stacking energy: -361.665 Base-Backbone interact. energy: 2.452 local terms energy: -509.916290 where: bonds (distance) C4'-P energy: -113.045 bonds (distance) P-C4' energy: -127.372 flat angles C4'-P-C4' energy: -123.139 flat angles P-C4'-P energy: -73.692 tors. eta vs tors. theta energy: -72.668 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: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -896.774122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.774122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.774122 (E_RNA) where: Base-Base interactions energy: -463.664 where: short stacking energy: -267.935 Base-Backbone interact. energy: -2.987 local terms energy: -430.122863 where: bonds (distance) C4'-P energy: -95.949 bonds (distance) P-C4' energy: -108.548 flat angles C4'-P-C4' energy: -117.486 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: -55.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -871.935899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.935899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.935899 (E_RNA) where: Base-Base interactions energy: -483.439 where: short stacking energy: -212.389 Base-Backbone interact. energy: 3.032 local terms energy: -391.529091 where: bonds (distance) C4'-P energy: -83.925 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -101.812 flat angles P-C4'-P energy: -76.488 tors. eta vs tors. theta energy: -18.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -585.643322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.643322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.643322 (E_RNA) where: Base-Base interactions energy: -271.589 where: short stacking energy: -166.195 Base-Backbone interact. energy: 6.514 local terms energy: -320.568227 where: bonds (distance) C4'-P energy: -109.041 bonds (distance) P-C4' energy: -104.179 flat angles C4'-P-C4' energy: -86.429 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: 15.424 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: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2196.906451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.906451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.906451 (E_RNA) where: Base-Base interactions energy: -1512.473 where: short stacking energy: -644.864 Base-Backbone interact. energy: 0.531 local terms energy: -684.963911 where: bonds (distance) C4'-P energy: -124.190 bonds (distance) P-C4' energy: -119.995 flat angles C4'-P-C4' energy: -147.815 flat angles P-C4'-P energy: -90.775 tors. eta vs tors. theta energy: -202.190 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: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2124.862703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.862703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.862703 (E_RNA) where: Base-Base interactions energy: -1441.405 where: short stacking energy: -609.598 Base-Backbone interact. energy: -2.554 local terms energy: -680.904064 where: bonds (distance) C4'-P energy: -117.388 bonds (distance) P-C4' energy: -130.265 flat angles C4'-P-C4' energy: -135.357 flat angles P-C4'-P energy: -108.203 tors. eta vs tors. theta energy: -189.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1965.276193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.276193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.276193 (E_RNA) where: Base-Base interactions energy: -1360.966 where: short stacking energy: -572.173 Base-Backbone interact. energy: -1.541 local terms energy: -602.768584 where: bonds (distance) C4'-P energy: -115.459 bonds (distance) P-C4' energy: -98.069 flat angles C4'-P-C4' energy: -124.194 flat angles P-C4'-P energy: -99.184 tors. eta vs tors. theta energy: -165.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1888.090219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.090219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.090219 (E_RNA) where: Base-Base interactions energy: -1299.821 where: short stacking energy: -548.220 Base-Backbone interact. energy: -0.130 local terms energy: -588.139224 where: bonds (distance) C4'-P energy: -117.216 bonds (distance) P-C4' energy: -107.871 flat angles C4'-P-C4' energy: -123.585 flat angles P-C4'-P energy: -92.611 tors. eta vs tors. theta energy: -146.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1727.961369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.961369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.961369 (E_RNA) where: Base-Base interactions energy: -1145.056 where: short stacking energy: -523.857 Base-Backbone interact. energy: -0.478 local terms energy: -582.426623 where: bonds (distance) C4'-P energy: -107.493 bonds (distance) P-C4' energy: -115.549 flat angles C4'-P-C4' energy: -127.584 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: -145.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1587.810236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.810236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.810236 (E_RNA) where: Base-Base interactions energy: -1057.359 where: short stacking energy: -420.849 Base-Backbone interact. energy: -3.676 local terms energy: -526.775726 where: bonds (distance) C4'-P energy: -114.074 bonds (distance) P-C4' energy: -113.597 flat angles C4'-P-C4' energy: -106.862 flat angles P-C4'-P energy: -70.726 tors. eta vs tors. theta energy: -121.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1269.562708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.562708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.562708 (E_RNA) where: Base-Base interactions energy: -815.470 where: short stacking energy: -390.472 Base-Backbone interact. energy: 0.333 local terms energy: -454.425453 where: bonds (distance) C4'-P energy: -111.893 bonds (distance) P-C4' energy: -99.740 flat angles C4'-P-C4' energy: -81.472 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: -81.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -918.781258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.781258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.781258 (E_RNA) where: Base-Base interactions energy: -486.215 where: short stacking energy: -267.460 Base-Backbone interact. energy: 3.743 local terms energy: -436.309221 where: bonds (distance) C4'-P energy: -111.768 bonds (distance) P-C4' energy: -103.058 flat angles C4'-P-C4' energy: -116.237 flat angles P-C4'-P energy: -67.112 tors. eta vs tors. theta energy: -38.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -836.757986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.757986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.757986 (E_RNA) where: Base-Base interactions energy: -477.265 where: short stacking energy: -260.077 Base-Backbone interact. energy: -0.584 local terms energy: -358.908889 where: bonds (distance) C4'-P energy: -85.340 bonds (distance) P-C4' energy: -97.514 flat angles C4'-P-C4' energy: -105.555 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -10.555 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: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -553.845074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.845074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.845074 (E_RNA) where: Base-Base interactions energy: -216.019 where: short stacking energy: -148.958 Base-Backbone interact. energy: -1.831 local terms energy: -335.995275 where: bonds (distance) C4'-P energy: -86.760 bonds (distance) P-C4' energy: -121.682 flat angles C4'-P-C4' energy: -84.767 flat angles P-C4'-P energy: -54.918 tors. eta vs tors. theta energy: 12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2220.172608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.172608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.172608 (E_RNA) where: Base-Base interactions energy: -1536.732 where: short stacking energy: -629.918 Base-Backbone interact. energy: -0.276 local terms energy: -683.164967 where: bonds (distance) C4'-P energy: -120.617 bonds (distance) P-C4' energy: -125.937 flat angles C4'-P-C4' energy: -134.516 flat angles P-C4'-P energy: -107.830 tors. eta vs tors. theta energy: -194.265 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: 360 Temperature: 0.950000 Total energy: -2104.454152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.454152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.454152 (E_RNA) where: Base-Base interactions energy: -1444.826 where: short stacking energy: -600.323 Base-Backbone interact. energy: -5.367 local terms energy: -654.260413 where: bonds (distance) C4'-P energy: -115.794 bonds (distance) P-C4' energy: -122.700 flat angles C4'-P-C4' energy: -152.767 flat angles P-C4'-P energy: -83.122 tors. eta vs tors. theta energy: -179.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1991.169695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.169695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.169695 (E_RNA) where: Base-Base interactions energy: -1347.783 where: short stacking energy: -598.686 Base-Backbone interact. energy: -3.393 local terms energy: -639.993520 where: bonds (distance) C4'-P energy: -123.437 bonds (distance) P-C4' energy: -126.129 flat angles C4'-P-C4' energy: -144.107 flat angles P-C4'-P energy: -84.000 tors. eta vs tors. theta energy: -162.320 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: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1876.338681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.338681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.338681 (E_RNA) where: Base-Base interactions energy: -1271.821 where: short stacking energy: -540.218 Base-Backbone interact. energy: -3.713 local terms energy: -600.804793 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -70.989 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: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1731.835212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.835212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.835212 (E_RNA) where: Base-Base interactions energy: -1165.653 where: short stacking energy: -495.710 Base-Backbone interact. energy: 1.443 local terms energy: -567.624604 where: bonds (distance) C4'-P energy: -109.095 bonds (distance) P-C4' energy: -122.615 flat angles C4'-P-C4' energy: -124.010 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -140.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1557.282342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.282342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.282342 (E_RNA) where: Base-Base interactions energy: -1017.821 where: short stacking energy: -462.292 Base-Backbone interact. energy: 1.449 local terms energy: -540.910980 where: bonds (distance) C4'-P energy: -101.280 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -127.840 flat angles P-C4'-P energy: -67.795 tors. eta vs tors. theta energy: -125.342 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: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1355.112984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.112984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.112984 (E_RNA) where: Base-Base interactions energy: -901.022 where: short stacking energy: -412.055 Base-Backbone interact. energy: -0.809 local terms energy: -453.282036 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -102.871 flat angles C4'-P-C4' energy: -101.332 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -88.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -929.790124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.790124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.790124 (E_RNA) where: Base-Base interactions energy: -512.530 where: short stacking energy: -269.192 Base-Backbone interact. energy: -0.858 local terms energy: -416.402779 where: bonds (distance) C4'-P energy: -122.183 bonds (distance) P-C4' energy: -112.304 flat angles C4'-P-C4' energy: -100.720 flat angles P-C4'-P energy: -46.983 tors. eta vs tors. theta energy: -34.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -783.047051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.047051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.047051 (E_RNA) where: Base-Base interactions energy: -437.059 where: short stacking energy: -219.287 Base-Backbone interact. energy: -3.132 local terms energy: -342.856218 where: bonds (distance) C4'-P energy: -85.851 bonds (distance) P-C4' energy: -106.693 flat angles C4'-P-C4' energy: -94.058 flat angles P-C4'-P energy: -42.404 tors. eta vs tors. theta energy: -13.850 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: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -553.627358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.627358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.627358 (E_RNA) where: Base-Base interactions energy: -236.053 where: short stacking energy: -144.874 Base-Backbone interact. energy: -0.194 local terms energy: -317.380557 where: bonds (distance) C4'-P energy: -98.771 bonds (distance) P-C4' energy: -108.184 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -51.843 tors. eta vs tors. theta energy: 17.625 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: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2232.029270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.029270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.029270 (E_RNA) where: Base-Base interactions energy: -1528.040 where: short stacking energy: -649.544 Base-Backbone interact. energy: -2.983 local terms energy: -701.006419 where: bonds (distance) C4'-P energy: -120.609 bonds (distance) P-C4' energy: -134.764 flat angles C4'-P-C4' energy: -142.699 flat angles P-C4'-P energy: -106.177 tors. eta vs tors. theta energy: -196.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2101.806156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.806156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.806156 (E_RNA) where: Base-Base interactions energy: -1452.149 where: short stacking energy: -591.598 Base-Backbone interact. energy: -1.763 local terms energy: -647.894096 where: bonds (distance) C4'-P energy: -118.024 bonds (distance) P-C4' energy: -130.167 flat angles C4'-P-C4' energy: -139.835 flat angles P-C4'-P energy: -81.029 tors. eta vs tors. theta energy: -178.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1970.843245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.843245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.843245 (E_RNA) where: Base-Base interactions energy: -1335.082 where: short stacking energy: -593.608 Base-Backbone interact. energy: -0.774 local terms energy: -634.986798 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -128.130 flat angles C4'-P-C4' energy: -136.790 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -161.783 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: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1916.119712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.119712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.119712 (E_RNA) where: Base-Base interactions energy: -1324.793 where: short stacking energy: -563.075 Base-Backbone interact. energy: 4.797 local terms energy: -596.124172 where: bonds (distance) C4'-P energy: -104.439 bonds (distance) P-C4' energy: -122.580 flat angles C4'-P-C4' energy: -128.005 flat angles P-C4'-P energy: -89.963 tors. eta vs tors. theta energy: -151.138 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: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1757.004318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.004318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.004318 (E_RNA) where: Base-Base interactions energy: -1170.768 where: short stacking energy: -523.993 Base-Backbone interact. energy: 0.004 local terms energy: -586.240091 where: bonds (distance) C4'-P energy: -116.359 bonds (distance) P-C4' energy: -112.917 flat angles C4'-P-C4' energy: -123.143 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -151.410 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: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1547.555142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.555142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.555142 (E_RNA) where: Base-Base interactions energy: -1036.167 where: short stacking energy: -466.515 Base-Backbone interact. energy: -0.778 local terms energy: -510.610055 where: bonds (distance) C4'-P energy: -89.754 bonds (distance) P-C4' energy: -116.721 flat angles C4'-P-C4' energy: -116.719 flat angles P-C4'-P energy: -75.733 tors. eta vs tors. theta energy: -111.683 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: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1388.356780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.356780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.356780 (E_RNA) where: Base-Base interactions energy: -926.664 where: short stacking energy: -410.822 Base-Backbone interact. energy: 1.427 local terms energy: -463.120660 where: bonds (distance) C4'-P energy: -95.350 bonds (distance) P-C4' energy: -99.863 flat angles C4'-P-C4' energy: -92.153 flat angles P-C4'-P energy: -73.911 tors. eta vs tors. theta energy: -101.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -908.579022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.579022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.579022 (E_RNA) where: Base-Base interactions energy: -500.213 where: short stacking energy: -271.582 Base-Backbone interact. energy: -5.627 local terms energy: -402.739690 where: bonds (distance) C4'-P energy: -98.228 bonds (distance) P-C4' energy: -99.803 flat angles C4'-P-C4' energy: -104.638 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -34.518 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: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -797.885074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.885074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.885074 (E_RNA) where: Base-Base interactions energy: -418.729 where: short stacking energy: -229.517 Base-Backbone interact. energy: -0.861 local terms energy: -378.294798 where: bonds (distance) C4'-P energy: -95.594 bonds (distance) P-C4' energy: -112.172 flat angles C4'-P-C4' energy: -101.662 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -478.932744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.932744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.932744 (E_RNA) where: Base-Base interactions energy: -174.394 where: short stacking energy: -144.990 Base-Backbone interact. energy: -0.661 local terms energy: -303.877520 where: bonds (distance) C4'-P energy: -90.018 bonds (distance) P-C4' energy: -102.786 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: 15.405 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: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2217.359400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.359400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.359400 (E_RNA) where: Base-Base interactions energy: -1522.432 where: short stacking energy: -640.497 Base-Backbone interact. energy: -3.489 local terms energy: -691.438043 where: bonds (distance) C4'-P energy: -109.573 bonds (distance) P-C4' energy: -127.111 flat angles C4'-P-C4' energy: -156.308 flat angles P-C4'-P energy: -100.776 tors. eta vs tors. theta energy: -197.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2080.264124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.264124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.264124 (E_RNA) where: Base-Base interactions energy: -1436.730 where: short stacking energy: -608.374 Base-Backbone interact. energy: -3.597 local terms energy: -639.937035 where: bonds (distance) C4'-P energy: -114.471 bonds (distance) P-C4' energy: -116.355 flat angles C4'-P-C4' energy: -134.500 flat angles P-C4'-P energy: -96.670 tors. eta vs tors. theta energy: -177.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1979.516835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.516835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.516835 (E_RNA) where: Base-Base interactions energy: -1363.835 where: short stacking energy: -556.337 Base-Backbone interact. energy: 0.490 local terms energy: -616.171405 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -129.463 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -82.073 tors. eta vs tors. theta energy: -163.761 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: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1902.656083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.656083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.656083 (E_RNA) where: Base-Base interactions energy: -1301.933 where: short stacking energy: -573.007 Base-Backbone interact. energy: 2.055 local terms energy: -602.777737 where: bonds (distance) C4'-P energy: -95.617 bonds (distance) P-C4' energy: -109.932 flat angles C4'-P-C4' energy: -141.676 flat angles P-C4'-P energy: -92.964 tors. eta vs tors. theta energy: -162.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1809.207594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.207594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.207594 (E_RNA) where: Base-Base interactions energy: -1218.915 where: short stacking energy: -564.589 Base-Backbone interact. energy: -2.978 local terms energy: -587.313964 where: bonds (distance) C4'-P energy: -109.416 bonds (distance) P-C4' energy: -111.696 flat angles C4'-P-C4' energy: -118.380 flat angles P-C4'-P energy: -92.244 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: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1555.684162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.684162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.684162 (E_RNA) where: Base-Base interactions energy: -1013.479 where: short stacking energy: -465.456 Base-Backbone interact. energy: 0.548 local terms energy: -542.753897 where: bonds (distance) C4'-P energy: -108.377 bonds (distance) P-C4' energy: -119.888 flat angles C4'-P-C4' energy: -120.162 flat angles P-C4'-P energy: -70.043 tors. eta vs tors. theta energy: -124.284 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: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1398.449957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.449957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.449957 (E_RNA) where: Base-Base interactions energy: -883.214 where: short stacking energy: -408.599 Base-Backbone interact. energy: -1.684 local terms energy: -513.551571 where: bonds (distance) C4'-P energy: -98.163 bonds (distance) P-C4' energy: -108.020 flat angles C4'-P-C4' energy: -115.482 flat angles P-C4'-P energy: -83.894 tors. eta vs tors. theta energy: -107.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -870.782045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.782045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.782045 (E_RNA) where: Base-Base interactions energy: -463.854 where: short stacking energy: -252.967 Base-Backbone interact. energy: -2.156 local terms energy: -404.772073 where: bonds (distance) C4'-P energy: -102.261 bonds (distance) P-C4' energy: -103.634 flat angles C4'-P-C4' energy: -124.435 flat angles P-C4'-P energy: -52.608 tors. eta vs tors. theta energy: -21.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -841.634168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.634168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.634168 (E_RNA) where: Base-Base interactions energy: -479.867 where: short stacking energy: -235.447 Base-Backbone interact. energy: -1.318 local terms energy: -360.449782 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -115.510 flat angles C4'-P-C4' energy: -88.357 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -3.869 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: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -506.106203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.106203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.106203 (E_RNA) where: Base-Base interactions energy: -195.939 where: short stacking energy: -127.195 Base-Backbone interact. energy: -0.750 local terms energy: -309.417389 where: bonds (distance) C4'-P energy: -96.874 bonds (distance) P-C4' energy: -107.979 flat angles C4'-P-C4' energy: -93.373 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: 28.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2204.920460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.920460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.920460 (E_RNA) where: Base-Base interactions energy: -1512.965 where: short stacking energy: -656.898 Base-Backbone interact. energy: -3.134 local terms energy: -688.821852 where: bonds (distance) C4'-P energy: -122.179 bonds (distance) P-C4' energy: -126.928 flat angles C4'-P-C4' energy: -148.839 flat angles P-C4'-P energy: -98.201 tors. eta vs tors. theta energy: -192.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2122.007437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.007437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.007437 (E_RNA) where: Base-Base interactions energy: -1444.214 where: short stacking energy: -609.868 Base-Backbone interact. energy: -6.403 local terms energy: -671.390657 where: bonds (distance) C4'-P energy: -126.721 bonds (distance) P-C4' energy: -124.825 flat angles C4'-P-C4' energy: -139.160 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -180.359 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: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1955.244848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.244848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.244848 (E_RNA) where: Base-Base interactions energy: -1304.477 where: short stacking energy: -564.742 Base-Backbone interact. energy: -3.094 local terms energy: -647.673820 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -133.990 flat angles C4'-P-C4' energy: -138.336 flat angles P-C4'-P energy: -93.802 tors. eta vs tors. theta energy: -165.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1868.940206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.940206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.940206 (E_RNA) where: Base-Base interactions energy: -1277.605 where: short stacking energy: -555.297 Base-Backbone interact. energy: -1.118 local terms energy: -590.217432 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -105.862 flat angles C4'-P-C4' energy: -138.722 flat angles P-C4'-P energy: -84.164 tors. eta vs tors. theta energy: -139.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1831.308328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.308328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.308328 (E_RNA) where: Base-Base interactions energy: -1239.679 where: short stacking energy: -535.584 Base-Backbone interact. energy: -2.448 local terms energy: -589.181524 where: bonds (distance) C4'-P energy: -111.341 bonds (distance) P-C4' energy: -116.144 flat angles C4'-P-C4' energy: -129.680 flat angles P-C4'-P energy: -83.041 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: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1581.589463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.589463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.589463 (E_RNA) where: Base-Base interactions energy: -1050.796 where: short stacking energy: -468.545 Base-Backbone interact. energy: 0.300 local terms energy: -531.092924 where: bonds (distance) C4'-P energy: -97.549 bonds (distance) P-C4' energy: -106.860 flat angles C4'-P-C4' energy: -136.390 flat angles P-C4'-P energy: -67.710 tors. eta vs tors. theta energy: -122.584 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: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1466.934106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.934106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.934106 (E_RNA) where: Base-Base interactions energy: -938.752 where: short stacking energy: -433.960 Base-Backbone interact. energy: -3.275 local terms energy: -524.907216 where: bonds (distance) C4'-P energy: -98.104 bonds (distance) P-C4' energy: -113.377 flat angles C4'-P-C4' energy: -123.933 flat angles P-C4'-P energy: -76.106 tors. eta vs tors. theta energy: -113.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -929.875641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.875641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.875641 (E_RNA) where: Base-Base interactions energy: -535.196 where: short stacking energy: -286.488 Base-Backbone interact. energy: -0.611 local terms energy: -394.069400 where: bonds (distance) C4'-P energy: -88.820 bonds (distance) P-C4' energy: -120.378 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -62.620 tors. eta vs tors. theta energy: -37.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -868.355214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.355214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.355214 (E_RNA) where: Base-Base interactions energy: -482.561 where: short stacking energy: -236.968 Base-Backbone interact. energy: 0.524 local terms energy: -386.317878 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -106.440 flat angles C4'-P-C4' energy: -79.161 flat angles P-C4'-P energy: -73.660 tors. eta vs tors. theta energy: -36.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -488.641141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.641141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.641141 (E_RNA) where: Base-Base interactions energy: -185.794 where: short stacking energy: -168.024 Base-Backbone interact. energy: 4.546 local terms energy: -307.392363 where: bonds (distance) C4'-P energy: -99.976 bonds (distance) P-C4' energy: -95.910 flat angles C4'-P-C4' energy: -77.053 flat angles P-C4'-P energy: -47.770 tors. eta vs tors. theta energy: 13.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2204.899069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.899069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.899069 (E_RNA) where: Base-Base interactions energy: -1518.080 where: short stacking energy: -640.706 Base-Backbone interact. energy: -3.466 local terms energy: -683.352644 where: bonds (distance) C4'-P energy: -125.741 bonds (distance) P-C4' energy: -129.839 flat angles C4'-P-C4' energy: -138.654 flat angles P-C4'-P energy: -94.819 tors. eta vs tors. theta energy: -194.300 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: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2118.052046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.052046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.052046 (E_RNA) where: Base-Base interactions energy: -1450.060 where: short stacking energy: -607.599 Base-Backbone interact. energy: -8.562 local terms energy: -659.429377 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -126.919 flat angles C4'-P-C4' energy: -143.055 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: -180.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1941.611593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.611593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.611593 (E_RNA) where: Base-Base interactions energy: -1306.538 where: short stacking energy: -586.327 Base-Backbone interact. energy: -1.772 local terms energy: -633.302013 where: bonds (distance) C4'-P energy: -106.064 bonds (distance) P-C4' energy: -124.841 flat angles C4'-P-C4' energy: -140.437 flat angles P-C4'-P energy: -80.811 tors. eta vs tors. theta energy: -181.149 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: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1883.082815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.082815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.082815 (E_RNA) where: Base-Base interactions energy: -1292.409 where: short stacking energy: -538.009 Base-Backbone interact. energy: -2.331 local terms energy: -588.343045 where: bonds (distance) C4'-P energy: -117.320 bonds (distance) P-C4' energy: -122.661 flat angles C4'-P-C4' energy: -133.001 flat angles P-C4'-P energy: -79.528 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: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1788.118801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.118801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.118801 (E_RNA) where: Base-Base interactions energy: -1208.855 where: short stacking energy: -521.942 Base-Backbone interact. energy: -3.502 local terms energy: -575.762297 where: bonds (distance) C4'-P energy: -87.438 bonds (distance) P-C4' energy: -122.641 flat angles C4'-P-C4' energy: -126.697 flat angles P-C4'-P energy: -83.792 tors. eta vs tors. theta energy: -155.195 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: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1612.037168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.037168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.037168 (E_RNA) where: Base-Base interactions energy: -1049.684 where: short stacking energy: -480.553 Base-Backbone interact. energy: 0.967 local terms energy: -563.320017 where: bonds (distance) C4'-P energy: -105.432 bonds (distance) P-C4' energy: -120.796 flat angles C4'-P-C4' energy: -115.625 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -136.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1468.775816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.775816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.775816 (E_RNA) where: Base-Base interactions energy: -931.847 where: short stacking energy: -426.874 Base-Backbone interact. energy: -0.242 local terms energy: -536.686709 where: bonds (distance) C4'-P energy: -101.314 bonds (distance) P-C4' energy: -113.922 flat angles C4'-P-C4' energy: -130.268 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -125.481 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: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -957.277777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.277777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.277777 (E_RNA) where: Base-Base interactions energy: -529.904 where: short stacking energy: -297.063 Base-Backbone interact. energy: -2.698 local terms energy: -424.675135 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -120.837 flat angles C4'-P-C4' energy: -109.492 flat angles P-C4'-P energy: -59.330 tors. eta vs tors. theta energy: -42.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -848.583131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.583131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.583131 (E_RNA) where: Base-Base interactions energy: -484.322 where: short stacking energy: -264.311 Base-Backbone interact. energy: 0.515 local terms energy: -364.775979 where: bonds (distance) C4'-P energy: -80.501 bonds (distance) P-C4' energy: -108.255 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -21.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -512.018171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.018171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.018171 (E_RNA) where: Base-Base interactions energy: -211.036 where: short stacking energy: -157.461 Base-Backbone interact. energy: -1.331 local terms energy: -299.650683 where: bonds (distance) C4'-P energy: -95.727 bonds (distance) P-C4' energy: -93.326 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -49.872 tors. eta vs tors. theta energy: 22.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2212.922240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.922240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.922240 (E_RNA) where: Base-Base interactions energy: -1537.284 where: short stacking energy: -656.311 Base-Backbone interact. energy: -2.152 local terms energy: -673.487009 where: bonds (distance) C4'-P energy: -119.467 bonds (distance) P-C4' energy: -127.607 flat angles C4'-P-C4' energy: -141.076 flat angles P-C4'-P energy: -91.406 tors. eta vs tors. theta energy: -193.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2116.560613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.560613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.560613 (E_RNA) where: Base-Base interactions energy: -1473.135 where: short stacking energy: -588.501 Base-Backbone interact. energy: -4.819 local terms energy: -638.607212 where: bonds (distance) C4'-P energy: -121.401 bonds (distance) P-C4' energy: -107.712 flat angles C4'-P-C4' energy: -128.249 flat angles P-C4'-P energy: -102.254 tors. eta vs tors. theta energy: -178.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1949.221152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.221152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.221152 (E_RNA) where: Base-Base interactions energy: -1321.652 where: short stacking energy: -588.777 Base-Backbone interact. energy: -1.416 local terms energy: -626.153885 where: bonds (distance) C4'-P energy: -114.911 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -134.798 flat angles P-C4'-P energy: -80.858 tors. eta vs tors. theta energy: -167.208 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: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1874.084989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.084989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.084989 (E_RNA) where: Base-Base interactions energy: -1291.567 where: short stacking energy: -561.336 Base-Backbone interact. energy: -2.682 local terms energy: -579.835776 where: bonds (distance) C4'-P energy: -119.694 bonds (distance) P-C4' energy: -122.702 flat angles C4'-P-C4' energy: -112.477 flat angles P-C4'-P energy: -67.956 tors. eta vs tors. theta energy: -157.007 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: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1781.048128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.048128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.048128 (E_RNA) where: Base-Base interactions energy: -1190.120 where: short stacking energy: -497.484 Base-Backbone interact. energy: -4.185 local terms energy: -586.743171 where: bonds (distance) C4'-P energy: -119.808 bonds (distance) P-C4' energy: -114.279 flat angles C4'-P-C4' energy: -115.263 flat angles P-C4'-P energy: -93.247 tors. eta vs tors. theta energy: -144.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1660.030313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.030313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.030313 (E_RNA) where: Base-Base interactions energy: -1103.497 where: short stacking energy: -492.505 Base-Backbone interact. energy: 1.038 local terms energy: -557.571495 where: bonds (distance) C4'-P energy: -102.160 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -129.398 flat angles P-C4'-P energy: -69.898 tors. eta vs tors. theta energy: -141.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1427.562049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.562049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.562049 (E_RNA) where: Base-Base interactions energy: -902.706 where: short stacking energy: -459.117 Base-Backbone interact. energy: -0.663 local terms energy: -524.193528 where: bonds (distance) C4'-P energy: -109.094 bonds (distance) P-C4' energy: -106.859 flat angles C4'-P-C4' energy: -119.880 flat angles P-C4'-P energy: -74.187 tors. eta vs tors. theta energy: -114.174 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: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -914.111459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.111459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.111459 (E_RNA) where: Base-Base interactions energy: -503.167 where: short stacking energy: -233.036 Base-Backbone interact. energy: 0.874 local terms energy: -411.818974 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -108.341 flat angles C4'-P-C4' energy: -111.313 flat angles P-C4'-P energy: -72.482 tors. eta vs tors. theta energy: -10.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -878.714927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.714927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.714927 (E_RNA) where: Base-Base interactions energy: -513.510 where: short stacking energy: -244.137 Base-Backbone interact. energy: 4.072 local terms energy: -369.276283 where: bonds (distance) C4'-P energy: -88.557 bonds (distance) P-C4' energy: -102.372 flat angles C4'-P-C4' energy: -95.208 flat angles P-C4'-P energy: -65.158 tors. eta vs tors. theta energy: -17.981 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: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -484.581154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.581154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.581154 (E_RNA) where: Base-Base interactions energy: -179.964 where: short stacking energy: -139.813 Base-Backbone interact. energy: 1.186 local terms energy: -305.803505 where: bonds (distance) C4'-P energy: -109.176 bonds (distance) P-C4' energy: -98.403 flat angles C4'-P-C4' energy: -75.643 flat angles P-C4'-P energy: -54.483 tors. eta vs tors. theta energy: 31.901 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: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2203.076176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.076176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.076176 (E_RNA) where: Base-Base interactions energy: -1521.508 where: short stacking energy: -640.630 Base-Backbone interact. energy: -1.947 local terms energy: -679.621688 where: bonds (distance) C4'-P energy: -121.470 bonds (distance) P-C4' energy: -126.066 flat angles C4'-P-C4' energy: -145.923 flat angles P-C4'-P energy: -89.051 tors. eta vs tors. theta energy: -197.112 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: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2122.869571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.869571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.869571 (E_RNA) where: Base-Base interactions energy: -1473.827 where: short stacking energy: -597.691 Base-Backbone interact. energy: -0.659 local terms energy: -648.383716 where: bonds (distance) C4'-P energy: -115.668 bonds (distance) P-C4' energy: -123.559 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -90.270 tors. eta vs tors. theta energy: -172.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1966.944369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.944369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.944369 (E_RNA) where: Base-Base interactions energy: -1321.212 where: short stacking energy: -587.693 Base-Backbone interact. energy: -1.549 local terms energy: -644.183052 where: bonds (distance) C4'-P energy: -115.024 bonds (distance) P-C4' energy: -125.926 flat angles C4'-P-C4' energy: -144.247 flat angles P-C4'-P energy: -92.558 tors. eta vs tors. theta energy: -166.427 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: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1900.024473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.024473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.024473 (E_RNA) where: Base-Base interactions energy: -1285.986 where: short stacking energy: -560.206 Base-Backbone interact. energy: -1.659 local terms energy: -612.379506 where: bonds (distance) C4'-P energy: -125.119 bonds (distance) P-C4' energy: -103.183 flat angles C4'-P-C4' energy: -130.048 flat angles P-C4'-P energy: -91.967 tors. eta vs tors. theta energy: -162.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1806.645423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.645423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.645423 (E_RNA) where: Base-Base interactions energy: -1218.894 where: short stacking energy: -516.509 Base-Backbone interact. energy: 1.425 local terms energy: -589.176983 where: bonds (distance) C4'-P energy: -115.683 bonds (distance) P-C4' energy: -112.051 flat angles C4'-P-C4' energy: -131.435 flat angles P-C4'-P energy: -81.088 tors. eta vs tors. theta energy: -148.920 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1626.700465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.700465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.700465 (E_RNA) where: Base-Base interactions energy: -1095.632 where: short stacking energy: -488.627 Base-Backbone interact. energy: 1.369 local terms energy: -532.437710 where: bonds (distance) C4'-P energy: -110.579 bonds (distance) P-C4' energy: -97.443 flat angles C4'-P-C4' energy: -115.379 flat angles P-C4'-P energy: -71.061 tors. eta vs tors. theta energy: -137.975 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: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1430.080196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.080196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.080196 (E_RNA) where: Base-Base interactions energy: -951.152 where: short stacking energy: -436.231 Base-Backbone interact. energy: -3.336 local terms energy: -475.593050 where: bonds (distance) C4'-P energy: -94.021 bonds (distance) P-C4' energy: -104.672 flat angles C4'-P-C4' energy: -105.217 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -102.889 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: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -933.649277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.649277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.649277 (E_RNA) where: Base-Base interactions energy: -528.348 where: short stacking energy: -256.918 Base-Backbone interact. energy: -3.485 local terms energy: -401.816544 where: bonds (distance) C4'-P energy: -101.227 bonds (distance) P-C4' energy: -114.652 flat angles C4'-P-C4' energy: -104.653 flat angles P-C4'-P energy: -61.749 tors. eta vs tors. theta energy: -19.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -908.206369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.206369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.206369 (E_RNA) where: Base-Base interactions energy: -556.483 where: short stacking energy: -251.257 Base-Backbone interact. energy: 0.056 local terms energy: -351.779017 where: bonds (distance) C4'-P energy: -98.124 bonds (distance) P-C4' energy: -96.916 flat angles C4'-P-C4' energy: -95.398 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -15.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -483.440237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.440237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.440237 (E_RNA) where: Base-Base interactions energy: -162.068 where: short stacking energy: -129.285 Base-Backbone interact. energy: -1.030 local terms energy: -320.342072 where: bonds (distance) C4'-P energy: -94.052 bonds (distance) P-C4' energy: -100.295 flat angles C4'-P-C4' energy: -84.546 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: 11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2217.159460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.159460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.159460 (E_RNA) where: Base-Base interactions energy: -1544.896 where: short stacking energy: -664.753 Base-Backbone interact. energy: -1.850 local terms energy: -670.413436 where: bonds (distance) C4'-P energy: -114.628 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -151.602 flat angles P-C4'-P energy: -86.291 tors. eta vs tors. theta energy: -191.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2079.156938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.156938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.156938 (E_RNA) where: Base-Base interactions energy: -1455.656 where: short stacking energy: -593.345 Base-Backbone interact. energy: -1.663 local terms energy: -621.838055 where: bonds (distance) C4'-P energy: -114.650 bonds (distance) P-C4' energy: -118.814 flat angles C4'-P-C4' energy: -123.653 flat angles P-C4'-P energy: -86.366 tors. eta vs tors. theta energy: -178.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1998.751521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.751521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.751521 (E_RNA) where: Base-Base interactions energy: -1376.284 where: short stacking energy: -623.101 Base-Backbone interact. energy: -1.332 local terms energy: -621.135451 where: bonds (distance) C4'-P energy: -109.305 bonds (distance) P-C4' energy: -121.974 flat angles C4'-P-C4' energy: -139.528 flat angles P-C4'-P energy: -83.941 tors. eta vs tors. theta energy: -166.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1903.807123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.807123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.807123 (E_RNA) where: Base-Base interactions energy: -1300.531 where: short stacking energy: -546.957 Base-Backbone interact. energy: -0.166 local terms energy: -603.110035 where: bonds (distance) C4'-P energy: -116.399 bonds (distance) P-C4' energy: -116.223 flat angles C4'-P-C4' energy: -123.400 flat angles P-C4'-P energy: -98.324 tors. eta vs tors. theta energy: -148.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1803.011807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.011807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.011807 (E_RNA) where: Base-Base interactions energy: -1199.848 where: short stacking energy: -541.064 Base-Backbone interact. energy: -2.618 local terms energy: -600.545719 where: bonds (distance) C4'-P energy: -113.476 bonds (distance) P-C4' energy: -123.613 flat angles C4'-P-C4' energy: -124.859 flat angles P-C4'-P energy: -88.456 tors. eta vs tors. theta energy: -150.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1593.117906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.117906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.117906 (E_RNA) where: Base-Base interactions energy: -1068.810 where: short stacking energy: -501.991 Base-Backbone interact. energy: -0.909 local terms energy: -523.399040 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -122.876 flat angles C4'-P-C4' energy: -129.320 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -136.323 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1444.341915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.341915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.341915 (E_RNA) where: Base-Base interactions energy: -976.903 where: short stacking energy: -443.584 Base-Backbone interact. energy: 0.138 local terms energy: -467.576853 where: bonds (distance) C4'-P energy: -92.621 bonds (distance) P-C4' energy: -95.269 flat angles C4'-P-C4' energy: -118.792 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -90.326 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: 367 Temperature: 1.250000 Total energy: -882.261179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.261179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.261179 (E_RNA) where: Base-Base interactions energy: -472.473 where: short stacking energy: -259.230 Base-Backbone interact. energy: 0.807 local terms energy: -410.595136 where: bonds (distance) C4'-P energy: -108.423 bonds (distance) P-C4' energy: -113.756 flat angles C4'-P-C4' energy: -106.386 flat angles P-C4'-P energy: -58.418 tors. eta vs tors. theta energy: -23.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1001.731403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.731403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.731403 (E_RNA) where: Base-Base interactions energy: -608.441 where: short stacking energy: -331.814 Base-Backbone interact. energy: 5.647 local terms energy: -398.937024 where: bonds (distance) C4'-P energy: -107.654 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -84.684 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -63.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -524.329355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.329355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.329355 (E_RNA) where: Base-Base interactions energy: -219.413 where: short stacking energy: -167.434 Base-Backbone interact. energy: 4.397 local terms energy: -309.312648 where: bonds (distance) C4'-P energy: -101.726 bonds (distance) P-C4' energy: -111.691 flat angles C4'-P-C4' energy: -71.720 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: 18.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2245.075129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.075129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.075129 (E_RNA) where: Base-Base interactions energy: -1536.622 where: short stacking energy: -656.047 Base-Backbone interact. energy: -1.826 local terms energy: -706.627671 where: bonds (distance) C4'-P energy: -114.821 bonds (distance) P-C4' energy: -130.109 flat angles C4'-P-C4' energy: -160.164 flat angles P-C4'-P energy: -101.650 tors. eta vs tors. theta energy: -199.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2113.645577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.645577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.645577 (E_RNA) where: Base-Base interactions energy: -1482.054 where: short stacking energy: -624.791 Base-Backbone interact. energy: -6.719 local terms energy: -624.872655 where: bonds (distance) C4'-P energy: -115.887 bonds (distance) P-C4' energy: -118.759 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -91.357 tors. eta vs tors. theta energy: -167.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1994.571632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.571632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.571632 (E_RNA) where: Base-Base interactions energy: -1393.947 where: short stacking energy: -604.885 Base-Backbone interact. energy: -2.088 local terms energy: -598.537610 where: bonds (distance) C4'-P energy: -93.205 bonds (distance) P-C4' energy: -115.678 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -162.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1894.991175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.991175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.991175 (E_RNA) where: Base-Base interactions energy: -1297.062 where: short stacking energy: -558.272 Base-Backbone interact. energy: 3.467 local terms energy: -601.396041 where: bonds (distance) C4'-P energy: -99.562 bonds (distance) P-C4' energy: -134.127 flat angles C4'-P-C4' energy: -126.534 flat angles P-C4'-P energy: -86.956 tors. eta vs tors. theta energy: -154.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1814.763655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.763655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.763655 (E_RNA) where: Base-Base interactions energy: -1231.807 where: short stacking energy: -530.193 Base-Backbone interact. energy: 2.296 local terms energy: -585.252097 where: bonds (distance) C4'-P energy: -100.767 bonds (distance) P-C4' energy: -123.333 flat angles C4'-P-C4' energy: -133.656 flat angles P-C4'-P energy: -65.440 tors. eta vs tors. theta energy: -162.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1655.892674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.892674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.892674 (E_RNA) where: Base-Base interactions energy: -1072.473 where: short stacking energy: -489.131 Base-Backbone interact. energy: 1.933 local terms energy: -585.353085 where: bonds (distance) C4'-P energy: -103.289 bonds (distance) P-C4' energy: -126.228 flat angles C4'-P-C4' energy: -128.606 flat angles P-C4'-P energy: -81.220 tors. eta vs tors. theta energy: -146.010 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: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1372.287719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.287719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.287719 (E_RNA) where: Base-Base interactions energy: -873.895 where: short stacking energy: -395.745 Base-Backbone interact. energy: -1.333 local terms energy: -497.059688 where: bonds (distance) C4'-P energy: -94.779 bonds (distance) P-C4' energy: -121.802 flat angles C4'-P-C4' energy: -126.798 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -78.463 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: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -866.127513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.127513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.127513 (E_RNA) where: Base-Base interactions energy: -485.408 where: short stacking energy: -240.128 Base-Backbone interact. energy: 1.259 local terms energy: -381.977787 where: bonds (distance) C4'-P energy: -111.755 bonds (distance) P-C4' energy: -96.314 flat angles C4'-P-C4' energy: -104.548 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -19.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -925.367708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.367708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.367708 (E_RNA) where: Base-Base interactions energy: -530.726 where: short stacking energy: -264.952 Base-Backbone interact. energy: -0.693 local terms energy: -393.947949 where: bonds (distance) C4'-P energy: -105.057 bonds (distance) P-C4' energy: -105.158 flat angles C4'-P-C4' energy: -95.318 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -33.990 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: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -509.215549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.215549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.215549 (E_RNA) where: Base-Base interactions energy: -161.633 where: short stacking energy: -126.105 Base-Backbone interact. energy: -1.228 local terms energy: -346.354421 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -118.877 flat angles C4'-P-C4' energy: -90.270 flat angles P-C4'-P energy: -62.480 tors. eta vs tors. theta energy: 24.334 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)